762	474	880	0:SP2_SP3_SP3	C[6]	C[5,6]	Si	4:3:4:	3:3:3:1:	3:4:4:4:	C[5,6]-4:C[6]-3:Si-4:	C[5,6]-3:C[5]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SiC3)	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5,6]H)(C[6]C[6]Si)(H)	Si(C[6]C[5,6]C[6])(CH3)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SiC3){1|C<3>,1|C<4>,1|H<1>,2|O<1>}	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5,6]H)(C[6]C[6]Si)(H){1|C<3>,1|H<1>,2|C<4>}	Si(C[6]C[5,6]C[6])(CH3)3	118.4280	0.000	1	118.4280	0.000	1	118.4280	0.000	1	118.4280	0.000	1	118.4280	0.000	1	118.4280	0.000	1
762	474	893	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:2:2:	3:4:3:4:	3:4:	C[5,3x6]-4:N[6,6]-2:O-2:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[6,6]-3:C-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[3x6])(OC)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH)	O(C[6,6]C[5,3x6]N[6,6])(CH3)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[3x6])(OC){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[6,6]C[5,3x6]N[6,6])(CH3)	116.5090	0.000	1	116.5090	0.000	1	115.8405	0.502	4	115.8405	0.502	4	117.0888	6.985	8	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:2:2:	3:4:3:4:	3:4:	C[5,3x6]-4:N[6,6]-2:O-2:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[6,6]-3:C-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6])(OC)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH)	O(C[6,6]C[5,3x6]N[6,6])(CH3)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6])(OC){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[6,6]C[5,3x6]N[6,6])(CH3)	115.6177	0.674	3	115.6177	0.455	3	115.8405	0.502	4	115.8405	0.502	4	117.0888	6.985	8	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:2:2:	4:3:3:4:	3:4:	C[5,3x6]-4:N[6,6]-2:O-2:	C[5,6,6]-4:N[5,6,6]-3:C[6,6]-3:C[5]-4:	C[6,6]-3:C-4:	C[6,6](C[5,3x6]C[5,6,6]N[5,6,6]C[5])(N[6,6]C[3x6])(OC)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(C[5]O[5]HH)	O(C[6,6]C[5,3x6]N[6,6])(CH3)	C[6,6](C[5,3x6]C[5,6,6]N[5,6,6]C[5])(N[6,6]C[3x6])(OC){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(C[5]O[5]HH){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	O(C[6,6]C[5,3x6]N[6,6])(CH3)	116.2600	0.000	1	116.2600	0.000	1	116.2600	0.000	1	116.2600	0.000	1	117.0888	6.985	8	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:3:2:	4:4:3:1:	3:4:	C[5,3x6]-4:C[6,6]-3:O-2:	C[3x5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C-4:	C[6,6](C[5,3x6]C[3x5,6,6]C[5,6,6]H)(C[6,6]C[5,3x6]C)(OC)	C[5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]O)(H)	O(C[6,6]C[5,3x6]C[6,6])(CH3)	C[6,6](C[5,3x6]C[3x5,6,6]C[5,6,6]H)(C[6,6]C[5,3x6]C)(OC){1|C<3>,3|C<4>,3|O<2>}	C[5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]O)(H){2|C<3>,3|O<2>,5|C<4>}	O(C[6,6]C[5,3x6]C[6,6])(CH3)	123.4270	0.000	1	123.4270	0.000	1	123.4270	0.000	1	119.0293	14.587	3	117.0888	6.985	8	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:3:2:	4:4:3:1:	3:4:	C[5,3x6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:Cl-1:	C[6,6]-3:C-4:	C[6,6](C[5,3x6]C[5,6,6]2Cl)(C[6,6]C[3x6]H)(OC)	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[5,6,6]C[6,6]C[5]C)(C[6,6]C[6,6]O)(Cl)	O(C[6,6]C[5,3x6]C[6,6])(CH3)	C[6,6](C[5,3x6]C[5,6,6]2Cl)(C[6,6]C[3x6]H)(OC){1|O<2>,3|C<3>,3|C<4>}	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[5,6,6]C[6,6]C[5]C)(C[6,6]C[6,6]O)(Cl){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O(C[6,6]C[5,3x6]C[6,6])(CH3)	116.8305	0.407	2	116.8305	0.165	2	116.8305	0.165	2	119.0293	14.587	3	117.0888	6.985	8	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:2:	4:3:4:3:	3:4:	C[5,6,6]-4:C[6]-3:O-2:	C[5,6]-4:C[6,6,6a]-3:C[5]-4:C[6]-3:	C[6]-3:C-4:	C[6](C[5,6,6]C[6,6,6a]C[5,6]C[5])(C[6]C[6]H)(OC)	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[5]C[5]HH)(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])(CH3)	C[6](C[5,6,6]C[6,6,6a]C[5,6]C[5])(C[6]C[6]H)(OC){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	O(C[6]C[5,6,6]C[6])(CH3)	111.5650	0.000	1	111.5650	0.000	1	111.5650	0.000	1	111.5650	0.000	1	111.3800	0.967	4	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:2:	4:4:3:1:	3:1:	C[5,6,6]-4:C[6,6]-3:O-2:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6])(OH)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]O)(H)	O(C[6]C[5,6,6]C[6,6])(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6])(OH){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]O)(H){1|Si<4>,1|C<4>,2|C<3>,5|H<1>}	O(C[6]C[5,6,6]C[6,6])(H)	112.6280	0.000	1	112.6280	0.000	1	112.6280	0.000	1	112.6280	0.000	1	111.3800	0.967	4	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:2:	4:4:3:2:	3:4:	C[5,6,6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[6]-3:C-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]H)(OC)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH)	O(C[6]C[5,6,6]C[6])(CH3)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]H)(OC){1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,1|I<1>,1|O<2>,5|H<1>}	O(C[6]C[5,6,6]C[6])(CH3)	110.2880	0.000	1	110.2880	0.000	1	110.2880	0.000	1	110.2880	0.000	1	111.3800	0.967	4	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:2:	4:4:3:4:	3:4:	C[5,6,6]-4:C[6]-3:O-2:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C[6]-3:S-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]H)(OS)	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3)	O(C[6]C[5,6,6]C[6])(SCOO)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]H)(OS){1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3){1|Br<1>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[6])(SCOO)	111.0390	0.000	1	111.0390	0.000	1	111.0390	0.000	1	111.0390	0.000	1	111.3800	0.967	4	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:2:	3:4:3:1:	3:4:	C[5,6]-4:N[6]-2:O-2:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[4,6])(OC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])(CH3)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[4,6])(OC){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[5,6]N[6])(CH3)	110.1990	0.000	1	109.6870	0.524	2	109.6870	0.524	2	109.9407	0.455	3	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:2:	3:4:3:1:	3:4:	C[5,6]-4:N[6]-2:O-2:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[4,6])(OC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])(CH3)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[4,6])(OC){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[5,6]N[6])(CH3)	109.1750	0.000	1	109.6870	0.524	2	109.6870	0.524	2	109.9407	0.455	3	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:2:	3:4:3:1:	3:4:	C[5,6]-4:N[6]-2:O-2:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C-4:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6])(OC)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])(CH3)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[6]C[5,6]N[6])(CH3)	110.4480	0.000	1	110.4480	0.000	1	110.4480	0.000	1	109.9407	0.455	3	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:2:	3:4:3:4:	3:4:	C[5,6]-4:N[6]-2:O-2:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:C-4:	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6])(OC)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]N[6]O)(CCHH)	O(C[6]C[5,6]N[6])(CH3)	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6])(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]N[6]O)(CCHH){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[5,6]N[6])(CH3)	112.7610	0.173	2	112.7610	0.030	2	112.7610	0.030	2	112.7610	0.030	2	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:2:	4:3:2:2:	3:4:	C[5,6]-4:N[6]-2:O-2:	C[5]-4:C[6]-3:N[6]-2:O[5]-2:	C[6]-3:C-4:	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6])(OC)	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6])(O[5]N[5])	O(C[6]C[5,6]N[6])(CH3)	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6])(OC){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6])(O[5]N[5]){1|C<3>,1|C<4>,1|O<2>}	O(C[6]C[5,6]N[6])(CH3)	109.6330	0.000	1	109.6330	0.000	1	109.6330	0.000	1	109.6330	0.000	1	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:2:	4:3:2:3:	3:4:	C[5,6]-4:N[6]-2:O-2:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6]-3:C-4:	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(OC)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]O)	O(C[6]C[5,6]N[6])(CCHH)	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(OC){3|C<4>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]O){4|C<3>}	O(C[6]C[5,6]N[6])(CCHH)	111.7767	0.607	4	111.7767	0.368	4	111.9540	0.433	5	111.9540	0.433	5	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:2:	4:3:2:3:	3:4:	C[5,6]-4:N[6]-2:O-2:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6]-3:C-4:	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(OC)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]O)	O(C[6]C[5,6]N[6])(CH3)	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(OC){3|C<4>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]O){4|C<3>}	O(C[6]C[5,6]N[6])(CH3)	112.6630	0.000	1	112.6630	0.000	1	111.9540	0.433	5	111.9540	0.433	5	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:2:	4:4:3:2:	3:4:	C[5,6]-4:N[6]-2:O-2:	C[5]-4:C[5]-4:C[6]-3:N[6]-2:	C[6]-3:C-4:	C[6](C[5,6]C[5]2N[6])(N[6]C[6])(OC)	C[5,6](C[5]C[5]HH)2(C[6]N[6]O)(N[6]C[6])	O(C[6]C[5,6]N[6])(CH3)	C[6](C[5,6]C[5]2N[6])(N[6]C[6])(OC){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]N[6]O)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[5,6]N[6])(CH3)	110.7065	1.190	2	110.7065	1.416	2	110.7065	1.416	2	110.7065	1.416	2	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:2:	3:2:3:3:	3:4:	C[5,6]-4:C[6]-3:O-2:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]C)(C[6]C[6]O)	O(C[6]C[5,6]C[6])(CH3)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){2|O<1>,4|C<3>}	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]C)(C[6]C[6]O){2|H<1>,3|C<3>}	O(C[6]C[5,6]C[6])(CH3)	110.3350	0.626	2	110.3350	0.392	2	110.5260	0.306	3	110.5260	0.306	3	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:2:	3:2:3:3:	3:4:	C[5,6]-4:C[6]-3:O-2:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	O(C[6]C[5,6]C[6])(CH3)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){1|H<1>,2|O<1>,3|C<3>}	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[5,6]C[6])(CH3)	110.9080	0.000	1	110.9080	0.000	1	110.5260	0.306	3	110.5260	0.306	3	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:2:	3:2:4:3:	3:4:	C[5,6]-4:C[6]-3:O-2:	C[5]-3:O[5]-2:C[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])(CH3)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]O){3|C<3>,3|H<1>}	O(C[6]C[5,6]C[6])(CH3)	110.7743	1.009	19	110.7743	1.018	19	110.7743	1.018	19	110.7743	1.018	19	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:2:	3:4:3:2:	3:4:	C[5,6]-4:C[6]-3:O-2:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[6]-3:C-4:	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]H)(OC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	O(C[6]C[5,6]C[6])(CH3)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]H)(OC){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[5,6]C[6])(CH3)	109.6910	0.000	1	109.6910	0.000	1	109.6910	0.000	1	109.6910	0.000	1	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:2:	3:4:3:3:	3:4:	C[5,6]-4:C[6]-3:O-2:	C[5,6a]-3:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(OC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(C[6]C[6]O)2	O(C[6]C[5,6]C[6])(CH3)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(OC){1|O<1>,1|O<2>,1|P<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(C[6]C[6]O)2{1|B<4>,3|H<1>,4|C<3>}	O(C[6]C[5,6]C[6])(CH3)	109.8805	0.067	2	109.8805	0.005	2	109.8805	0.005	2	109.8805	0.005	2	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:2:	4:2:3:1:	3:1:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(H){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[5,6]C[6])(H)	111.7800	0.380	2	111.7800	0.145	2	111.7800	0.145	2	111.7800	0.145	2	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:2:	4:2:3:1:	3:4:	C[5,6]-4:C[6]-3:O-2:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[6]-3:C-4:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])(CH3)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[5,6]C[6])(CH3)	109.8670	0.000	1	109.8670	0.000	1	109.8670	0.000	1	109.8670	0.000	1	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:2:	4:2:3:3:	3:1:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:O[5]-2:C[6]-3:C-3:	C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(CNO)	O(C[6]C[5,6]C[6])(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(CNO){3|C<3>,3|H<1>}	O(C[6]C[5,6]C[6])(H)	112.4100	0.000	1	112.4100	0.000	1	112.4100	0.000	1	112.4100	0.000	1	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:2:	4:3:2:4:	3:1:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3)	O(C[6]C[5,6]C[6])(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6])(H)	112.0310	0.420	2	112.0310	0.176	2	112.0310	0.176	2	112.0310	0.176	2	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:2:	4:3:2:4:	3:4:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(OC)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3)	O(C[6]C[5,6]C[6])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6])(CH3)	119.4260	0.000	1	119.4260	0.000	1	119.4260	0.000	1	119.4260	0.000	1	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:2:	4:3:3:2:	3:4:	C[5,6]-4:C[6]-3:O-2:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[6]-3:C-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	C[5,6](C[5]C[5]HH)(C[6]C[6]O)2(O[5]C[5])	O(C[6]C[5,6]C[6])(CH3)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]O)2(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>}	O(C[6]C[5,6]C[6])(CH3)	109.9465	1.095	2	109.9465	1.200	2	109.9465	1.200	2	109.9465	1.200	2	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:2:	4:3:3:3:	3:4:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[6]N[5])(C[6]C[6]H)(OC)	C[5,6](C[5,6]C[5]C[6]2)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	O(C[6]C[5,6]C[6])(CH3)	C[6](C[5,6]C[5,6]C[6]N[5])(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]2)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|O<1>,3|C<3>,6|H<1>}	O(C[6]C[5,6]C[6])(CH3)	110.8595	0.156	2	110.8595	0.024	2	110.8595	0.024	2	110.8273	0.015	3	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:2:	4:3:3:3:	3:4:	C[5,6]-4:C[6]-3:O-2:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(OC)	C[5,6](C[5]C[5]HH)(C[5]N[5]O)(C[6]C[6]H)(C[6]C[6]O)	O(C[6]C[5,6]C[6])(CH3)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[5]N[5]O)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6])(CH3)	110.7630	0.000	1	110.7630	0.000	1	110.7630	0.000	1	110.8273	0.015	3	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:2:	4:4:3:1:	3:1:	C[5,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6,6]C[6])(OH)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(H)	O(C[6]C[5,6]C[6,6])(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6,6]C[6])(OH){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	O(C[6]C[5,6]C[6,6])(H)	117.0395	0.581	2	117.0395	0.337	2	117.0395	0.337	2	115.2870	9.382	3	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:2:	4:4:3:1:	3:1:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OH){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,5|H<1>}	O(C[6]C[5,6]C[6])(H)	111.7820	0.000	1	111.7820	0.000	1	111.7820	0.000	1	115.2870	9.382	3	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:2:	4:4:3:1:	3:4:	C[5,6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C-4:	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(OC)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])(CH3)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|O<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6])(CH3)	111.8890	0.000	1	111.8890	0.000	1	111.8890	0.000	1	112.3500	0.164	3	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:2:	4:4:3:1:	3:4:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6])(CH3)	112.5120	0.000	1	112.5120	0.000	1	112.5805	0.009	2	112.3500	0.164	3	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:2:	4:4:3:1:	3:4:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])(CCHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(H){1|H<1>,5|C<3>}	O(C[6]C[5,6]C[6])(CCHH)	112.6490	0.000	1	112.6490	0.000	1	112.5805	0.009	2	112.3500	0.164	3	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:2:	4:4:3:3:	3:3:	C[5,6]-4:C[6]-3:O-2:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]H)(OC)	C[5,6](C[5,5]C[5]2O[5])(C[5]C[5]CH)(C[6]C[6]O)(C[6]O[6]O)	O(C[6]C[5,6]C[6])(CCO)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|O<2>,5|C<4>}	C[5,6](C[5,5]C[5]2O[5])(C[5]C[5]CH)(C[6]C[6]O)(C[6]O[6]O){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[5,6]C[6])(CCO)	112.6900	1.037	2	112.6900	1.075	2	112.6900	1.075	2	112.6900	1.075	2	111.5774	5.118	59	112.1873	8.077	71
762	474	893	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:2:	4:4:3:1:	3:1:	C[5,6]-4:C[6]-4:O-2:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(OH)	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(OH){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]O)(H){3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6])(H)	121.1740	0.000	1	121.1740	0.000	1	121.1740	0.000	1	121.1740	0.000	1	111.5774	5.118	59	112.1873	8.077	71
762	474	909	0:SP2_SP2_SP3	C[6]	C[5,6]	S	4:3:2:	4:4:3:1:	3:3:	C[5,6]-4:C[6]-3:S-2:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(SC[6a])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]S)(H)	S(C[6]C[5,6]C[6])(C[6a]C[6a]2)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(SC[6a]){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]S)(H){2|C<3>,3|H<1>}	S(C[6]C[5,6]C[6])(C[6a]C[6a]2)	118.7670	0.000	1	118.7670	0.000	1	118.7670	0.000	1	118.7670	0.000	1	118.7670	0.000	1	118.7670	0.000	1
762	474	914	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	N[6]	4:4:2:	4:3:4:3:	3:4:	C[5,6,6]-4:C[6,6]-4:N[6]-2:	C[5,5,6]-4:C[6,6]-3:C[6,6]-4:C[5]-3:	C[6,6]-3:C[6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6,6]C[6]O[6]H)(N[6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]N[6])(C[6,6]C[6]2H)(C[5]O[5]O)	N[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]CH)	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6,6]C[6]O[6]H)(N[6]C[6]){1|O<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]N[6])(C[6,6]C[6]2H)(C[5]O[5]O){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	N[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	118.9590	0.000	1	118.9590	0.000	1	118.9590	0.000	1	118.9590	0.000	1	118.9590	0.000	1	117.2938	1.479	4
762	474	914	0:SP2_SP2_SP3	C[6,6]	C[5,6]	N[6]	4:4:2:	3:2:2:4:	3:3:	C[5,6]-4:C[6,6]-4:N[6]-2:	C[6,6]-3:O[5,6]-2:O[5]-2:C-4:	C[6,6a]-3:C[6,6]-3:	C[6,6](C[5,6]O[5,6]O[5]C)(C[6,6]C[6a]C[6]2)(N[6]C[6,6a])	C[5,6](C[6,6]C[6,6]N[6])(O[5,6]C[5,6])(O[5]O[5])(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6,6])	C[6,6](C[5,6]O[5,6]O[5]C)(C[6,6]C[6a]C[6]2)(N[6]C[6,6a]){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[5,6](C[6,6]C[6,6]N[6])(O[5,6]C[5,6])(O[5]O[5])(CH3){2|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6,6]){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	117.1580	0.000	1	117.1580	0.000	1	117.1580	0.000	1	117.1580	0.000	1	117.1580	0.000	1	117.2938	1.479	4
762	474	914	0:SP2_SP2_SP3	C[6]	C[5]	N[6]	3:4:2:	3:4:4:1:	3:4:	C[6,6a]-3:C[5]-4:N[6]-2:	C[6]-3:C[5]-4:C[5]-4:H-1:	C[6]-3:S[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(N[6]S[6])	C[5](C[6]C[6,6a]N[6])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	N[6](C[6]C[6,6a]C[5])(S[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(N[6]S[6]){1|O<2>,2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[6]C[6,6a]N[6])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|S<4>,2|C<2>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[5])(S[6]O[6]OO){1|H<1>,2|C<3>,2|C<4>}	116.5290	0.689	2	116.5290	0.474	2	116.5290	0.474	2	116.5290	0.474	2	116.5290	0.474	2	117.2938	1.479	4
762	474	914	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[6,6]	4:2:2:	3:4:3:4:	3:4:	C[5,3x6]-4:N[6,6]-2:O-2:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[6,6]-3:C[3x6]-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[3x6])(OC)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH)	N[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[3x6])(OC){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	118.1780	0.000	1	118.1780	0.000	1	118.1780	0.000	1	118.1780	0.000	1	118.5248	0.324	5	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[6,6]	4:2:2:	3:4:3:4:	4:3:	C[5,3x6]-4:N[6,6]-2:O-2:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[4x6]-4:C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6])(OC)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6])(OC){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	118.6710	0.000	1	118.7820	0.399	3	118.7820	0.399	3	118.7820	0.399	3	118.5248	0.324	5	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[6,6]	4:2:2:	3:4:3:4:	4:3:	C[5,3x6]-4:N[6,6]-2:O-2:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[4x6]-4:C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6])(OC)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6])(OC){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	118.8375	0.883	2	118.7820	0.399	3	118.7820	0.399	3	118.7820	0.399	3	118.5248	0.324	5	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[6,6]	4:2:2:	4:3:3:4:	4:3:	C[5,3x6]-4:N[6,6]-2:O-2:	C[5,6,6]-4:N[5,6,6]-3:C[6,6]-3:C[5]-4:	C[3x6]-4:C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]N[5,6,6]C[5])(N[6,6]C[3x6])(OC)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(C[5]O[5]HH)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]O)	C[6,6](C[5,3x6]C[5,6,6]N[5,6,6]C[5])(N[6,6]C[3x6])(OC){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(C[5]O[5]HH){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	118.1000	0.000	1	118.1000	0.000	1	118.1000	0.000	1	118.1000	0.000	1	118.5248	0.324	5	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	N[6]	4:3:2:	3:3:3:3:	3:4:	C[5,6,6]-4:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6,6]-3:N[5,6]-3:N[5]-3:	C[6,6]-3:C[6]-4:	C[6,6](C[5,6,6]C[6,6a]N[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6])(N[5,6]C[5]C[6])(N[5]C[5]H)	N[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]HH)	C[6,6](C[5,6,6]C[6,6a]N[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6])(N[5,6]C[5]C[6])(N[5]C[5]H){1|C<4>,1|N<2>,3|C<3>,7|H<1>}	N[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]HH){2|H<1>,2|N<3>,3|C<3>}	126.6330	0.000	1	126.6330	0.000	1	126.6330	0.000	1	126.6330	0.000	1	124.3085	10.807	2	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	N[6]	4:3:2:	3:4:4:4:	3:3:	C[5,6,6]-4:C[6,6a]-3:N[6]-2:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[6,6]-3:N[6]-3:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6]N[6])	C[5,6,6](C[6,6]C[6,6a]N[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	N[6](C[6,6]C[5,6,6]C[6,6a])(N[6]C[5,6]C[6a])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6]N[6]){3|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[6,6]C[6,6a]N[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	N[6](C[6,6]C[5,6,6]C[6,6a])(N[6]C[5,6]C[6a]){1|H<1>,4|C<3>,4|C<4>}	121.9840	0.000	1	121.9840	0.000	1	121.9840	0.000	1	121.9840	0.000	1	124.3085	10.807	2	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6]	C[5,6,6]	N[6]	4:2:1:	4:4:3:1:	3:3:	C[5,6,6]-4:N[6]-2:O-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[5,6])(O)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]N[6]O)(H)	N[6](C[5,6]N[5,6]N[5])(C[6]C[5,6,6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[5,6])(O){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]N[6]O)(H){3|C<3>,4|H<1>}	N[6](C[5,6]N[5,6]N[5])(C[6]C[5,6,6]O){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	122.1633	1.151	3	122.1633	1.325	3	122.1633	1.325	3	122.1633	1.325	3	120.1172	17.629	4	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6]	C[5,6,6]	N[6]	4:2:1:	4:4:3:3:	3:3:	C[5,6,6]-4:N[6]-2:O-1:	C[5,6]-4:C[6,6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6])(O)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5,5]O)(C[6]N[6]O)	N[6](C[6]C[5,6,6]O)(C[6]C[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6])(O){1|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5,5]O)(C[6]N[6]O){3|C<3>,3|C<4>,5|H<1>}	N[6](C[6]C[5,6,6]O)(C[6]C[6]O){1|H<1>,2|C<3>,2|C<4>}	113.9790	0.000	1	113.9790	0.000	1	113.9790	0.000	1	113.9790	0.000	1	120.1172	17.629	4	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:2:1:	3:4:3:2:	3:3:	C[5,6]-4:N[6]-2:O-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[6]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6])(O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(SC)	N[6](C[6]C[5,6]O)(C[6]C[6]C)	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6])(O){2|H<1>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(SC){1|O<1>,3|C<3>}	N[6](C[6]C[5,6]O)(C[6]C[6]C){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	116.4160	0.000	1	116.4160	0.000	1	116.4160	0.000	1	116.4160	0.000	1	125.0204	9.496	34	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:2:1:	4:3:2:3:	3:3:	C[5,6]-4:N[6]-2:H-1:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(H)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H)	N[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]H)	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(H){3|C<4>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H){4|C<3>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	127.2365	0.182	2	127.2365	0.033	2	126.2799	0.952	9	126.2799	0.952	9	125.0204	9.496	34	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:2:1:	4:3:2:3:	3:3:	C[5,6]-4:N[6]-2:H-1:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(H)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H)	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(H){3|C<4>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H){4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	126.0066	0.934	7	126.0066	0.872	7	126.2799	0.952	9	126.2799	0.952	9	125.0204	9.496	34	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:2:1:	4:3:2:4:	3:4:	C[5,6]-4:N[6]-2:O-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6])(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6])(O){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|H<1>,1|O<2>,3|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH){1|H<1>,2|C<4>,2|O<2>}	119.7740	0.000	1	119.7740	0.000	1	119.7740	0.000	1	119.7740	0.000	1	125.0204	9.496	34	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:2:2:	3:4:3:1:	3:4:	C[5,6]-4:N[6]-2:O-2:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6])(OC)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	125.8750	0.000	1	125.8750	0.000	1	125.8750	0.000	1	125.8750	0.000	1	125.0204	9.496	34	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:2:2:	3:4:3:1:	4:3:	C[5,6]-4:N[6]-2:O-2:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[4,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[4,6])(OC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H)	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[5,6]O)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[4,6])(OC){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[5,6]O){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	129.4540	0.000	1	129.4810	0.001	2	129.4810	0.001	2	129.4810	0.001	2	125.0204	9.496	34	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:2:2:	3:4:3:1:	4:3:	C[5,6]-4:N[6]-2:O-2:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[4,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[4,6])(OC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H)	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[5,6]O)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[4,6])(OC){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[5,6]O){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	129.5080	0.000	1	129.4810	0.001	2	129.4810	0.001	2	129.4810	0.001	2	125.0204	9.496	34	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:2:2:	3:4:3:4:	3:3:	C[5,6]-4:N[6]-2:O-2:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6])(OC)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]N[6]O)(CCHH)	N[6](C[6]C[5,6]O)(C[6]C[6]C)	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6])(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]N[6]O)(CCHH){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	N[6](C[6]C[5,6]O)(C[6]C[6]C){1|N<3>,1|O<2>,2|C<4>}	125.5325	0.400	2	125.5325	0.160	2	125.5325	0.160	2	125.5325	0.160	2	125.0204	9.496	34	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:2:2:	3:4:4:3:	3:3:	C[5,6]-4:N[6]-2:N-2:	C[6,6a]-3:C[5]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5,6]C[6,6a]C[5]2)(N[6]C[6])(NC[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2(C[6]N[6]N)	N[6](C[6]C[6,6a]N)(C[6]C[5,6]N)	C[6](C[5,6]C[6,6a]C[5]2)(N[6]C[6])(NC[6a]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2(C[6]N[6]N){3|C<3>,5|H<1>}	N[6](C[6]C[6,6a]N)(C[6]C[5,6]N){2|C<3>,2|C<4>}	117.8030	0.000	1	117.8030	0.000	1	117.8030	0.000	1	117.8030	0.000	1	125.0204	9.496	34	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:2:2:	4:3:2:2:	3:4:	C[5,6]-4:N[6]-2:O-2:	C[5]-4:C[6]-3:N[6]-2:O[5]-2:	C[6]-3:C[6]-4:	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6])(OC)	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6])(O[5]N[5])	N[6](C[6]C[5,6]O)(C[6]C[6]CH)	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6])(OC){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6])(O[5]N[5]){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH){1|C<4>,1|N<2>,2|O<2>}	127.7050	0.000	1	127.7050	0.000	1	127.7050	0.000	1	127.7050	0.000	1	125.0204	9.496	34	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:2:2:	4:3:2:3:	3:3:	C[5,6]-4:N[6]-2:O-2:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(OC)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]O)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(OC){3|C<4>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]O){4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	125.9956	0.399	5	125.9956	0.159	5	125.9956	0.159	5	125.9956	0.159	5	125.0204	9.496	34	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:2:2:	4:4:3:2:	3:4:	C[5,6]-4:N[6]-2:O-2:	C[5]-4:C[5]-4:C[6]-3:N[6]-2:	C[6]-3:C[6]-4:	C[6](C[5,6]C[5]2N[6])(N[6]C[6])(OC)	C[5,6](C[5]C[5]HH)2(C[6]N[6]O)(N[6]C[6])	N[6](C[6]C[5,6]O)(C[6]C[6]CH)	C[6](C[5,6]C[5]2N[6])(N[6]C[6])(OC){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]N[6]O)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH){1|N<2>,1|O<2>,2|C<4>}	128.6225	0.269	2	128.6225	0.073	2	128.6225	0.073	2	128.6225	0.073	2	125.0204	9.496	34	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:2:3:	3:3:3:3:	4:3:	C[5,6]-4:N[6]-2:C-3:	N[3,5]-3:N[5,6]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:	C[6](C[5,6]N[3,5]N[5,6]C[6a])(N[6]C[6])(COO)	C[5,6](N[3,5]C[3,5]C[3])(N[5,6]C[5,6]H)(C[6a]C[6a]2)(C[6]N[6]C)	N[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C)	C[6](C[5,6]N[3,5]N[5,6]C[6a])(N[6]C[6])(COO){2|H<1>,3|C<3>,3|C<4>}	C[5,6](N[3,5]C[3,5]C[3])(N[5,6]C[5,6]H)(C[6a]C[6a]2)(C[6]N[6]C){1|C<4>,3|H<1>,5|C<3>}	N[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C){1|C<4>,2|N<3>,4|C<3>}	123.6180	0.000	1	123.6180	0.000	1	123.6180	0.000	1	123.6180	0.000	1	125.0204	9.496	34	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:2:3:	3:4:4:3:	3:3:	C[5,6]-4:N[6]-2:N-3:	C[6,6a]-3:C[5]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5,6]C[6,6a]C[5]2)(N[6]C[6])(NHH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2(C[6]N[6]N)	N[6](C[6]C[6,6a]N)(C[6]C[5,6]N)	C[6](C[5,6]C[6,6a]C[5]2)(N[6]C[6])(NHH){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2(C[6]N[6]N){3|C<3>,5|H<1>}	N[6](C[6]C[6,6a]N)(C[6]C[5,6]N){2|C<3>,2|C<4>}	125.1310	0.000	1	125.1310	0.000	1	125.1310	0.000	1	125.1310	0.000	1	125.0204	9.496	34	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:2:3:	4:2:3:2:	3:3:	C[5,6]-4:N[6]-2:C-3:	C[5,6]-4:O[5]-2:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:	C[6](C[5,6]C[5,6]O[5]O)(N[6]C[6,6a])(CNO)	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(O[5]C[5,6a])(C[6]N[6]C)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)	C[6](C[5,6]C[5,6]O[5]O)(N[6]C[6,6a])(CNO){1|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(O[5]C[5,6a])(C[6]N[6]C)(OH){4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C){1|C<4>,2|C<3>,3|O<2>}	123.5720	0.000	1	123.5720	0.000	1	123.5720	0.000	1	123.5720	0.000	1	125.0204	9.496	34	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:2:4:	3:2:2:3:	3:3:	C[5,6]-4:N[6]-2:C-4:	N[5]-3:O[6]-2:S[5]-2:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](C[5,6]N[5]O[6]S[5])(N[6]C[6,6a])(CH3)	C[5,6](N[5]C[5,6a]C)(O[6]C[6,6a])(S[5]C[5,6a])(C[6]N[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C)	C[6](C[5,6]N[5]O[6]S[5])(N[6]C[6,6a])(CH3){1|C<4>,4|C<3>}	C[5,6](N[5]C[5,6a]C)(O[6]C[6,6a])(S[5]C[5,6a])(C[6]N[6]C){4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C){1|N<3>,1|O<2>,1|S<2>,3|C<3>}	120.5265	0.646	2	120.5265	0.417	2	120.5265	0.417	2	120.5265	0.417	2	125.0204	9.496	34	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:2:4:	4:3:2:3:	3:3:	C[5,6]-4:N[6]-2:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C)	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(CH3){3|C<4>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]C){4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	122.3160	0.000	1	122.3160	0.000	1	122.3160	0.000	1	122.3160	0.000	1	125.0204	9.496	34	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:2:	3:3:2:2:	3:2:	C[5,6]-4:C[6a]-3:N[6]-2:	C[6]-3:C[6]-3:O[5]-2:O[5]-2:	C[6]-3:S[6]-2:	C[6](C[5,6]C[6]O[5]2)(C[6a]C[6a]2)(N[6]S[6])	C[5,6](C[6]C[6a]N[6])2(O[5]C[5,6a])2	N[6](C[6]C[5,6]C[6a])(S[6]N[6])	C[6](C[5,6]C[6]O[5]2)(C[6a]C[6a]2)(N[6]S[6]){1|N<2>,2|H<1>,5|C<3>}	C[5,6](C[6]C[6a]N[6])2(O[5]C[5,6a])2{1|S<2>,6|C<3>}	N[6](C[6]C[5,6]C[6a])(S[6]N[6]){2|O<2>,3|C<3>}	124.2380	2.130	2	124.2380	4.536	2	124.2380	4.536	2	124.2380	4.536	2	125.0204	9.496	34	123.8312	14.156	45
762	474	914	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:2:	3:3:3:3:	3:4:	C[5,6]-4:C[6a]-3:N[6]-2:	N[5,6]-3:C[6]-3:C[6a]-3:N[5]-3:	C[6]-3:C[6]-4:	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6a]C[6a]2)(N[6]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)(N[5]C[5]H)	N[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6a]C[6a]2)(N[6]C[6]){3|C<4>,4|C<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,4|C<3>,8|H<1>}	N[6](C[6]C[5,6]C[6a])(C[6]C[6]HH){2|H<1>,2|N<3>,3|C<3>}	125.1870	0.000	1	125.1870	0.000	1	125.1870	0.000	1	125.1870	0.000	1	125.0204	9.496	34	123.8312	14.156	45
762	474	924	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	Br	4:3:1:	3:2:4:3:	3:	C[5,6,6]-4:C[6]-3:Br-1:	C[5,6]-3:O[5,6]-2:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]Br)(Br)	C[5,6,6](C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]Br)	Br(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]Br)(Br){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]Br){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	Br(C[6]C[5,6,6]C[6])	119.4990	0.000	1	119.4990	0.000	1	119.4990	0.000	1	119.4990	0.000	1	119.4990	0.000	1	115.3414	1.896	19
762	474	924	0:SP2_SP-NON_SP3	C[6]	C[5,6]	Br	4:3:1:	2:3:3:4:	3:	C[5,6]-4:C[6]-3:Br-1:	O[5,6]-2:C[6]-3:C[5]-3:C-4:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]Br)(Br)	C[5,6](O[5,6]C[5,6])(C[6]C[6]Br)(C[5]C[5]C)(CH3)	Br(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]Br)(Br){1|C<3>,1|O<1>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]Br)(C[5]C[5]C)(CH3){1|Br<1>,1|C<3>,2|H<1>}	Br(C[6]C[5,6]C[6])	117.2210	0.000	1	117.2210	0.000	1	117.2210	0.000	1	117.2210	0.000	1	115.1104	0.934	18	115.3414	1.896	19
762	474	924	0:SP2_SP-NON_SP3	C[6]	C[5,6]	Br	4:3:1:	4:2:3:1:	3:	C[5,6]-4:C[6]-3:Br-1:	C[5,5,6]-4:O[5,6]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(Br)	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]Br)(H)	Br(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(Br){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]Br)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	Br(C[6]C[5,6]C[6])	116.2930	0.000	1	116.2930	0.000	1	116.2930	0.000	1	116.1230	0.058	2	115.1104	0.934	18	115.3414	1.896	19
762	474	924	0:SP2_SP-NON_SP3	C[6]	C[5,6]	Br	4:3:1:	4:2:3:1:	3:	C[5,6]-4:C[6]-3:Br-1:	C[5,6,6]-4:O[5,6]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(Br)	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]Br)(H)	Br(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(Br){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]Br)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	Br(C[6]C[5,6]C[6])	115.9530	0.000	1	115.9530	0.000	1	115.9530	0.000	1	116.1230	0.058	2	115.1104	0.934	18	115.3414	1.896	19
762	474	924	0:SP2_SP-NON_SP3	C[6]	C[5,6]	Br	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(Br)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	Br(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(Br){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	Br(C[6]C[5,6]C[6])	113.9425	0.015	2	113.9425	0.000	2	114.4564	0.450	8	114.4564	0.450	8	115.1104	0.934	18	115.3414	1.896	19
762	474	924	0:SP2_SP-NON_SP3	C[6]	C[5,6]	Br	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Br)(O[5]C[5])(H)	Br(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Br)(O[5]C[5])(H){1|C<4>,1|O<1>,5|H<1>}	Br(C[6]C[5,6]C[6])	114.2790	0.000	1	114.2790	0.000	1	114.4564	0.450	8	114.4564	0.450	8	115.1104	0.934	18	115.3414	1.896	19
762	474	924	0:SP2_SP-NON_SP3	C[6]	C[5,6]	Br	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	Br(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	Br(C[6]C[5,6]C[6])	113.7450	0.000	1	114.6974	0.575	5	114.4564	0.450	8	114.4564	0.450	8	115.1104	0.934	18	115.3414	1.896	19
762	474	924	0:SP2_SP-NON_SP3	C[6]	C[5,6]	Br	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	Br(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	Br(C[6]C[5,6]C[6])	114.6835	0.042	2	114.6974	0.575	5	114.4564	0.450	8	114.4564	0.450	8	115.1104	0.934	18	115.3414	1.896	19
762	474	924	0:SP2_SP-NON_SP3	C[6]	C[5,6]	Br	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	Br(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	Br(C[6]C[5,6]C[6])	115.1875	0.954	2	114.6974	0.575	5	114.4564	0.450	8	114.4564	0.450	8	115.1104	0.934	18	115.3414	1.896	19
762	474	924	0:SP2_SP-NON_SP3	C[6]	C[5,6]	Br	4:3:1:	4:3:2:2:	3:	C[5,6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:O[5]-2:O[5]-2:	C[6]-3:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(Br)	C[5,6](C[6]C[6]CH)(C[6]C[6]Br)(O[5]C[5])2	Br(C[6]C[5,6]C[6])	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(Br){3|H<1>,4|C<4>}	C[5,6](C[6]C[6]CH)(C[6]C[6]Br)(O[5]C[5])2{1|C<4>,1|O<2>,6|H<1>}	Br(C[6]C[5,6]C[6])	115.7082	0.445	4	115.7082	0.198	4	115.7082	0.198	4	115.7082	0.198	4	115.1104	0.934	18	115.3414	1.896	19
762	474	924	0:SP2_SP-NON_SP3	C[6]	C[5,6]	Br	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:Br-1:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]H)(Br)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]Br)(H)	Br(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]H)(Br){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]Br)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	Br(C[6]C[5,6]C[6])	114.5250	0.147	2	114.5250	0.022	2	114.5250	0.022	2	114.5250	0.022	2	115.1104	0.934	18	115.3414	1.896	19
762	474	924	0:SP2_SP-NON_SP3	C[6]	C[5,6]	Br	4:3:1:	4:3:4:1:	3:	C[5,6]-4:C[6,6]-3:Br-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(Br)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]Br)(C[5]O[5]CH)(H)	Br(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(Br){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]Br)(C[5]O[5]CH)(H){1|O<1>,2|C<4>,2|H<1>}	Br(C[6]C[5,6]C[6,6])	114.9860	0.000	1	114.9860	0.000	1	114.9860	0.000	1	114.9860	0.000	1	115.1104	0.934	18	115.3414	1.896	19
762	474	930	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C	4:3:3:	3:3:3:2:	3:1:1:	C[5,3x6]-4:C[6,6]-3:C-3:	C[5,6,6]-3:C[6,6]-3:C[6,6]-3:O[5]-2:	C[6,6]-3:H-1:O-1:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CHO)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C)2(O[5]C[5])	C(C[6,6]C[5,3x6]C[6,6])(H)(O)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CHO){2|C<3>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C)2(O[5]C[5]){1|C<4>,7|H<1>}	C(C[6,6]C[5,3x6]C[6,6])(H)(O)	121.4320	0.000	1	121.4320	0.000	1	121.4320	0.000	1	121.4320	0.000	1	123.9444	4.286	5	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[5,3x6]-4:C[6,6]-3:C-3:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C-3:H-1:	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]H)(CCH)	C[5,3x6](C[5,3x6]C[3x6]O[5]O[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(H)	C(C[6,6]C[5,3x6]C[6,6])(CCH)(H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]H)(CCH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,3x6](C[5,3x6]C[3x6]O[5]O[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[5,3x6]C[6,6])(CCH)(H)	124.5990	0.000	1	124.5990	0.000	1	124.5990	0.000	1	123.3435	3.153	2	123.9444	4.286	5	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[5,3x6]-4:C[6,6]-3:C-3:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C-3:H-1:	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(CCH)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]C)(H)	C(C[6,6]C[5,3x6]C[6,6])(CCH)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(CCH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(C[6,6]C[5,3x6]C[6,6])(CCH)(H)	122.0880	0.000	1	122.0880	0.000	1	122.0880	0.000	1	123.3435	3.153	2	123.9444	4.286	5	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C	4:4:3:	3:3:4:3:	3:1:1:	C[5,3x6]-4:C[6,6]-4:C-3:	C[5,6a]-3:C[5,6,6]-3:C[6,6]-4:C[6,6]-3:	C[6,6]-3:H-1:H-1:	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(CHH)	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)	C(C[6,6]C[5,3x6]C[6,6])(H)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(CHH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C(C[6,6]C[5,3x6]C[6,6])(H)2	125.6280	0.000	1	125.8015	0.060	2	125.8015	0.060	2	125.8015	0.060	2	123.9444	4.286	5	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	C	4:4:3:	3:3:4:3:	3:1:1:	C[5,3x6]-4:C[6,6]-4:C-3:	C[5,6a]-3:C[5,6,6]-3:C[6,6]-4:C[6,6]-3:	C[6,6]-3:H-1:H-1:	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(CHH)	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)	C(C[6,6]C[5,3x6]C[6,6])(H)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(CHH){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[5,3x6]C[6,6])(H)2	125.9750	0.000	1	125.8015	0.060	2	125.8015	0.060	2	125.8015	0.060	2	123.9444	4.286	5	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6,6]	C[5,4x6]	C	4:3:3:	3:4:3:3:	3:2:1:	C[5,4x6]-4:C[6,6]-3:C-3:	N[5,6,6]-3:C[3x6]-4:N[5,6]-3:C[6,6]-3:	C[6,6]-3:O-2:O-1:	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(COO)	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]C)	C(C[6,6]C[5,4x6]C[6,6])(OC)(O)	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(COO){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]C){1|C<4>,1|O<2>,2|O<1>,3|C<3>,5|H<1>}	C(C[6,6]C[5,4x6]C[6,6])(OC)(O)	123.8460	0.000	1	123.8460	0.000	1	123.8460	0.000	1	123.8460	0.000	1	123.8460	0.000	1	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6,6]	C[5,5,6,6]	C	4:4:3:	4:4:3:3:	3:1:1:	C[5,5,6,6]-4:C[6,6]-4:C-3:	C[5,6,6]-4:C[5,5,6]-4:C[6,6]-3:C[5]-3:	C[6,6]-3:H-1:H-1:	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6,6]C[6]O[6]C)(CHH)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C)(C[5]O[5]O)	C(C[6,6]C[5,5,6,6]C[6,6])(H)2	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6,6]C[6]O[6]C)(CHH){1|C<3>,1|H<1>,1|O<1>,3|O<2>,4|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[5,5,6,6]C[6,6])(H)2	126.3740	0.000	1	126.3740	0.000	1	126.3740	0.000	1	126.3740	0.000	1	126.3740	0.000	1	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C	4:4:3:	3:3:3:4:	3:3:1:	C[5,6,6]-4:C[3x6]-4:C-3:	C[5,6a]-3:C[5,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C-3:H-1:	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[3x6]C[6,6]2H)(CCH)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6,6]C[3x6]C)(C[6]C[6]HH)	C(C[6,6]C[5,6,6]C[3x6])(CCH)(H)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[3x6]C[6,6]2H)(CCH){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6,6]C[3x6]C)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[3x6])(CCH)(H)	123.9800	0.406	2	123.9800	0.165	2	123.9800	0.165	2	123.9800	0.165	2	124.5490	0.522	4	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C	4:4:3:	4:3:4:2:	3:1:1:	C[5,6,6]-4:C[3x6]-4:C-3:	C[5,3x6]-4:C[6,6]-3:C[5]-4:O-2:	C[6,6]-3:H-1:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]O[6,6]2H)(CHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[5]C[5]HH)(OH)	C(C[6,6]C[5,6,6]C[3x6])(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]O[6,6]2H)(CHH){3|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[5]C[5]HH)(OH){1|C<4>,3|H<1>,4|O<2>}	C(C[6,6]C[5,6,6]C[3x6])(H)2	125.3500	0.000	1	125.3500	0.000	1	125.3500	0.000	1	125.3500	0.000	1	124.5490	0.522	4	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C	4:4:3:	4:4:3:3:	3:1:1:	C[5,6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[5,6]-4:C[6,6]-3:C[5]-3:	C[6,6]-3:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]O[6]C)(CHH)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[6,6]C[6,6]C)(C[5]O[5]O)	C(C[6,6]C[5,6,6]C[6,6])(H)2	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]O[6]C)(CHH){1|H<1>,1|O<1>,2|C<3>,3|C<4>,3|O<2>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[6,6]C[6,6]C)(C[5]O[5]O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6,6]C[6,6])(H)2	124.8860	0.000	1	124.8860	0.000	1	124.8860	0.000	1	124.8860	0.000	1	124.5490	0.522	4	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,5,6,6]	C	4:3:3:	4:4:3:3:	3:1:1:	C[5,5,6,6]-4:C[5a,6]-3:C-3:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5a,6]C[5a,6]N[5a])(CHH)	C[5,5,6,6](C[5,5,6]N[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(C[6]C[5a,6]C)	C(C[6]C[5,5,6,6]C[5a,6])(H)2	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5a,6]C[5a,6]N[5a])(CHH){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]N[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(C[6]C[5a,6]C){1|C<3>,1|N<3>,6|H<1>}	C(C[6]C[5,5,6,6]C[5a,6])(H)2	123.6680	0.000	1	123.6680	0.000	1	123.6680	0.000	1	123.6680	0.000	1	123.6680	0.000	1	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,5,6]	C	4:4:3:	3:4:4:3:	3:1:1:	C[5,5,6]-4:C[6]-4:C-3:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-3:	C[6]-3:Br-1:H-1:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CBrH)	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]C)	C(C[6]C[5,5,6]C[6])(Br)(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CBrH){2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	C(C[6]C[5,5,6]C[6])(Br)(H)	126.7940	0.236	2	126.7940	0.056	2	126.7940	0.056	2	126.7940	0.056	2	126.7940	0.056	2	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6,6]	C	4:3:3:	4:4:2:3:	3:3:1:	C[5,6,6]-4:C[6]-3:C-3:	C[5,6,6]-4:C[6]-4:O[5]-2:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[5,6]H)(CCH)	C[5,6,6](C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]CH)(O[5]C[5,5])(C[6]C[6]C)	C(C[6]C[5,6,6]C[6])(COO)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[5,6]H)(CCH){2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]CH)(O[5]C[5,5])(C[6]C[6]C){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C(C[6]C[5,6,6]C[6])(COO)(H)	121.9400	0.768	2	121.9400	0.590	2	121.9400	0.590	2	121.9400	0.590	2	121.1669	6.359	11	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6,6]	C	4:3:3:	4:4:3:3:	3:3:1:	C[5,6,6]-4:C[6]-3:C-3:	C[5,6,6]-4:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C-3:O-1:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]C)(CCO)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(C[6]C[6]C)	C(C[6]C[5,6,6]C[6])(CCC)(O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]C)(CCO){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(C[6]C[6]C){1|C<3>,3|H<1>,4|C<4>}	C(C[6]C[5,6,6]C[6])(CCC)(O)	116.1320	0.000	1	116.1320	0.000	1	116.1320	0.000	1	116.1320	0.000	1	121.1669	6.359	11	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6,6]	C	4:3:3:	4:4:4:3:	3:3:1:	C[5,6,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5a]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CC[5a]H)	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]C)	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6,6]C[6])(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CC[5a]H){1|O<2>,5|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6,6]C[6])(H)	123.9130	0.000	1	123.9130	0.000	1	123.9130	0.000	1	123.9130	0.000	1	121.1669	6.359	11	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6,6]	C	4:4:3:	4:2:3:3:	3:3:1:	C[5,6,6]-4:C[6]-4:C-3:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]HH)(CC[6a]H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6,6])(C[6]C[6]C)2	C(C[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6,6])(C[6]C[6]C)2{1|O<1>,3|C<4>,4|H<1>}	C(C[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)	120.2410	0.673	2	120.2410	0.453	2	120.4445	0.389	4	120.4445	0.389	4	121.1669	6.359	11	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6,6]	C	4:4:3:	4:2:3:3:	3:3:1:	C[5,6,6]-4:C[6]-4:C-3:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]HH)(CC[6a]H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6])(C[6]C[6]C)2	C(C[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6])(C[6]C[6]C)2{1|O<1>,3|C<4>,4|H<1>}	C(C[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)	120.6480	0.740	2	120.6480	0.547	2	120.4445	0.389	4	120.4445	0.389	4	121.1669	6.359	11	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6,6]	C	4:4:3:	4:2:4:3:	3:1:1:	C[5,6,6]-4:C[6]-4:C-3:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CHH)	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]C)	C(C[6]C[5,6,6]C[6])(H)2	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CHH){4|H<1>,5|C<4>}	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]C){2|O<2>,4|C<4>,5|H<1>}	C(C[6]C[5,6,6]C[6])(H)2	124.9180	0.000	1	124.9180	0.000	1	124.9180	0.000	1	124.9180	0.000	1	121.1669	6.359	11	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6,6]	C	4:4:3:	4:3:2:3:	3:3:1:	C[5,6,6]-4:C[6]-4:C-3:	C[5,5,6]-4:C[6,6a]-3:O[5,6]-2:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[5,6,6]C[5,5,6]C[6,6a]O[5,6])(C[6]C[6]HH)(CC[6a]H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[3x5,6])(C[6]C[6]C)	C(C[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6,6]C[5,5,6]C[6,6a]O[5,6])(C[6]C[6]HH)(CC[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[3x5,6])(C[6]C[6]C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)	123.5140	0.000	1	123.5140	0.000	1	123.5140	0.000	1	123.5140	0.000	1	121.1669	6.359	11	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6,6]	C	4:4:3:	4:4:2:3:	3:1:1:	C[5,6,6]-4:C[6,6]-4:C-3:	C[5,6,6]-4:C[6]-4:O[5]-2:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6]3)(CHH)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6,6]HO)(O[5]C[5,5,6])(C[6]C[6,6]C)	C(C[6]C[5,6,6]C[6,6])(H)2	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6]3)(CHH){2|O<2>,5|H<1>,8|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6,6]HO)(O[5]C[5,5,6])(C[6]C[6,6]C){1|H<1>,2|O<2>,3|C<3>,5|C<4>}	C(C[6]C[5,6,6]C[6,6])(H)2	118.7010	0.000	1	118.7010	0.000	1	118.7010	0.000	1	118.7010	0.000	1	121.1669	6.359	11	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	3:4:3:	3:2:4:1:	3:1:1:	C[6,6a]-3:C[5,6]-4:C-3:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH)	C[5,6](C[6]C[6,6a]C)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C(C[6]C[6,6a]C[5,6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6]C[6,6a]C)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[5,6])(H)2	118.3500	0.000	1	118.3500	0.000	1	118.3500	0.000	1	118.3500	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	3:4:3:	3:3:4:1:	3:1:1:	C[6,6a]-3:C[5,6]-4:C-3:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CHH)	C[5,6](N[5,6]C[5,6]S)(C[6]C[6,6a]C)(C[5]C[5]HH)(H)	C(C[6]C[6,6a]C[5,6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CHH){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]S)(C[6]C[6,6a]C)(C[5]C[5]HH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[5,6])(H)2	118.7840	0.000	1	118.7840	0.000	1	118.7840	0.000	1	118.7840	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	3:4:3:	3:3:4:2:	3:4:1:	C[6,6a]-3:C[5,6]-4:C-3:	C[5]-3:C[6]-3:C[6]-4:O[5]-2:	C[6]-3:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(CCH)	C[5,6](C[5]C[5]N[6])(C[6]C[6,6a]C)(C[6]C[6]HH)(O[5]C[5])	C(C[6]C[6,6a]C[5,6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(CCH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6](C[5]C[5]N[6])(C[6]C[6,6a]C)(C[6]C[6]HH)(O[5]C[5]){1|C<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[5,6])(CH3)(H)	117.5360	0.000	1	117.5360	0.000	1	117.5360	0.000	1	117.5360	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	3:4:3:	3:4:3:1:	3:2:1:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]H)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]C)(H)	C(C[6]C[6,6a]C[5,6])(OC)(O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]H)(COO){1|C<4>,1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]C)(H){3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[5,6])(OC)(O)	113.6670	0.000	1	113.6670	0.000	1	113.6670	0.000	1	113.6670	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	3:4:3:	3:4:3:3:	3:1:1:	C[6,6a]-3:C[5,6]-4:C-3:	C[6]-3:C[5]-4:C[5]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHH)	C[5,6](C[6]C[6,6a]C)(C[5]C[5]CH)(C[5]N[5]O)(C[6]N[6]O)	C(C[6]C[6,6a]C[5,6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHH){2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[5,6](C[6]C[6,6a]C)(C[5]C[5]CH)(C[5]N[5]O)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[5,6])(H)2	124.5780	0.000	1	124.5780	0.000	1	124.5780	0.000	1	124.5780	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	3:4:3:	3:4:4:3:	3:3:1:	C[6,6a]-3:C[5,6]-4:C-3:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCH)	C[5,6](C[6]C[6,6a]C)(C[5]C[5]HH)(C[6]N[6]HH)(C[5]C[5]H)	C(C[6]C[6,6a]C[5,6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[6]C[6,6a]C)(C[5]C[5]HH)(C[6]N[6]HH)(C[5]C[5]H){1|S<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[5,6])(COO)(H)	122.0950	0.000	1	122.0950	0.000	1	122.0950	0.000	1	122.0950	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	3:4:3:	4:3:2:1:	3:1:1:	C[6,6a]-3:C[5,6]-4:C-3:	C[5]-4:C[6]-3:O[5,6]-2:H-1:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH)	C[5,6](C[5]C[6a]O[5]H)(C[6]C[6,6a]C)(O[5,6]C[5,6])(H)	C(C[6]C[6,6a]C[5,6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5]C[6a]O[5]H)(C[6]C[6,6a]C)(O[5,6]C[5,6])(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[5,6])(H)2	121.1116	0.497	10	121.1116	0.247	10	121.1116	0.247	10	121.1116	0.247	10	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CC[6a]H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]C)(O[5]N[5])(H)	C(C[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CC[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]C)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)	122.2140	0.000	1	122.2140	0.000	1	122.2140	0.000	1	122.2140	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	3:4:3:	4:4:3:1:	3:2:1:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(COO)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6,6a]C)(H)	C(C[6]C[6,6a]C[5,6])(OC)(O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(COO){3|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6,6a]C)(H){5|C<3>}	C(C[6]C[6,6a]C[5,6])(OC)(O)	113.5860	0.000	1	113.5860	0.000	1	113.5860	0.000	1	113.5860	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:2:3:	3:3:3:3:	3:2:1:	C[5,6]-4:N[6]-2:C-3:	N[3,5]-3:N[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]N[3,5]N[5,6]C[6a])(N[6]C[6])(COO)	C[5,6](N[3,5]C[3,5]C[3])(N[5,6]C[5,6]H)(C[6a]C[6a]2)(C[6]N[6]C)	C(C[6]C[5,6]N[6])(OC)(O)	C[6](C[5,6]N[3,5]N[5,6]C[6a])(N[6]C[6])(COO){2|H<1>,3|C<3>,3|C<4>}	C[5,6](N[3,5]C[3,5]C[3])(N[5,6]C[5,6]H)(C[6a]C[6a]2)(C[6]N[6]C){1|C<4>,3|H<1>,5|C<3>}	C(C[6]C[5,6]N[6])(OC)(O)	118.7520	0.000	1	118.7520	0.000	1	118.7520	0.000	1	118.7520	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:2:3:	4:2:3:2:	3:3:1:	C[5,6]-4:N[6]-2:C-3:	C[5,6]-4:O[5]-2:C[6]-3:O-2:	C[6]-3:N-3:O-1:	C[6](C[5,6]C[5,6]O[5]O)(N[6]C[6,6a])(CNO)	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(O[5]C[5,6a])(C[6]N[6]C)(OH)	C(C[6]C[5,6]N[6])(NCH)(O)	C[6](C[5,6]C[5,6]O[5]O)(N[6]C[6,6a])(CNO){1|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(O[5]C[5,6a])(C[6]N[6]C)(OH){4|C<3>}	C(C[6]C[5,6]N[6])(NCH)(O)	119.2030	0.000	1	119.2030	0.000	1	119.2030	0.000	1	119.2030	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:2:3:	4:4:3:1:	3:3:1:	C[5,6]-4:O[6]-2:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCH)	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]N[5,5a]HH)(C[6]O[6]C)(H)	C(C[6]C[5,6]O[6])(COO)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCH){1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]N[5,5a]HH)(C[6]O[6]C)(H){1|C<2>,3|C<3>}	C(C[6]C[5,6]O[6])(COO)(H)	123.4280	0.000	1	123.4280	0.000	1	123.4280	0.000	1	123.4280	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:2:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(COO)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]C)(C[6]C[6]O)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(COO){1|O<2>,2|O<1>,3|C<3>}	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]C)(C[6]C[6]O){2|H<1>,3|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	115.3705	0.525	2	115.3705	0.276	2	115.3705	0.276	2	115.3705	0.276	2	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:3:2:2:	3:1:1:	C[5,6]-4:C[6,6a]-3:C-3:	C[5,6a]-3:C[6]-3:O[5]-2:O[6]-2:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(CHH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C)(O[5]C[5])(O[6]C[6])	C(C[6]C[6,6a]C[5,6])(H)2	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(CHH){1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C)(O[5]C[5])(O[6]C[6]){4|C<3>,5|H<1>}	C(C[6]C[6,6a]C[5,6])(H)2	121.5170	0.000	1	121.5170	0.000	1	121.5170	0.000	1	121.5170	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:3:3:3:	3:2:1:	C[5,6]-4:C[6,6]-3:C-3:	C[5a,6]-3:C[5,6a]-3:C[6]-3:C[5]-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6,6]N[6])(COO)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C)(C[5]N[5]O)	C(C[6]C[5,6]C[6,6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6,6]N[6])(COO){1|N<3>,1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C)(C[5]N[5]O){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C(C[6]C[5,6]C[6,6])(OC)(O)	118.2380	0.000	1	118.2380	0.000	1	118.2380	0.000	1	118.5698	3.159	13	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:3:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{2|H<1>,2|N<3>,3|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	117.0130	0.000	1	117.5307	0.218	3	118.1390	2.182	6	118.5698	3.159	13	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:3:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO){1|N<3>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	117.7895	0.183	2	117.5307	0.218	3	118.1390	2.182	6	118.5698	3.159	13	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:3:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(COO){1|C<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[5,6]C[6])(OC)(O)	117.5745	0.057	2	117.5745	0.003	2	118.1390	2.182	6	118.5698	3.159	13	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:3:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(COO){1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[5,6]C[6])(OC)(O)	121.0930	0.000	1	121.0930	0.000	1	118.1390	2.182	6	118.5698	3.159	13	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:3:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[5]-3:C[6]-3:N[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)(N[6]C[6]H)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]C)(COO){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6])(OC)(O)	117.8490	0.000	1	117.8490	0.000	1	117.8490	0.000	1	118.5698	3.159	13	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:3:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(COO){1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(OC)(O)	120.7870	0.000	1	120.7870	0.000	1	120.7870	0.000	1	118.5698	3.159	13	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:3:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(COO){1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	119.1940	0.000	1	119.1940	0.000	1	119.1940	0.000	1	118.5698	3.159	13	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:3:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(COO){1|N<3>,2|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	118.8060	0.000	1	118.8060	0.000	1	118.8060	0.000	1	118.5698	3.159	13	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:3:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]N[5,6]C[6a])(C[6]N[6,6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]N[5,6]C[6a])(C[6]N[6,6]C)(COO){1|C<4>,1|S<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|O<1>,4|H<1>,6|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	121.9910	0.000	1	121.9910	0.000	1	121.9910	0.000	1	118.5698	3.159	13	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:3:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:N[6]-3:C[5]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]C)(COO){1|N<3>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,7|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	115.7080	0.000	1	115.7080	0.000	1	115.7080	0.000	1	118.5698	3.159	13	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(CC[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(CC[6a]O){1|N<3>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|N<3>,2|C<3>,4|H<1>}	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	118.4345	0.794	2	118.4345	0.631	2	118.4345	0.631	2	120.7873	3.481	6	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6a]-3:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]N)(CC[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]N)(CC[6a]O){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C){2|C<3>,2|H<1>,3|N<3>}	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	121.9638	0.238	4	121.9638	0.056	4	121.9638	0.056	4	120.7873	3.481	6	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[6]-3:C-3:C-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CCC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(CC[6a]O)(CCH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CCC){1|N<3>,2|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[5,6]C[6])(CC[6a]O)(CCH)	119.2275	0.900	2	119.2275	0.810	2	119.2275	0.810	2	119.2275	0.810	2	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:3:3:3:	3:4:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C-4:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C(C[6]C[5,6]C[6])(CH3)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO){1|C<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6])(CH3)(O)	113.9237	0.946	3	114.4718	1.799	4	114.4718	1.799	4	114.4718	1.799	4	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:3:3:3:	3:4:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C-4:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C(C[6]C[5,6]C[6])(CH3)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO){1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[5,6]C[6])(CH3)(O)	116.1160	0.000	1	114.4718	1.799	4	114.4718	1.799	4	114.4718	1.799	4	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:3:3:4:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(COO)	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(COO){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(C[6]C[6]C)(CH3){1|C<4>,1|W<6>,2|C<3>,2|H<1>}	C(C[6]C[5,6]C[6])(OC)(O)	117.6570	0.000	1	117.6570	0.000	1	117.6570	0.000	1	117.6570	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:4:3:1:	3:1:1:	C[5,6]-4:C[6]-3:C-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]H)(CHO)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)(O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]H)(CHO){1|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|H<1>}	C(C[6]C[5,6]C[6])(H)(O)	121.3170	0.610	2	121.3170	0.372	2	121.3170	0.372	2	121.3170	0.372	2	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]N[6])(CC[6a]O)	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]N[6])(CC[6a]O){1|N<2>,2|H<1>,5|C<3>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|S<1>}	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	115.2640	0.000	1	115.2640	0.000	1	115.2640	0.000	1	115.2640	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:4:3:3:	3:1:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CHH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,2|H<1>,5|C<3>}	C(C[6]C[5,6]C[6])(H)2	121.8400	0.000	1	121.8400	0.000	1	121.8400	0.000	1	121.8400	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:4:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5,6]H)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5,6]H)(COO){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6])(OC)(O)	116.3860	0.000	1	116.3860	0.000	1	118.1268	3.768	6	118.1268	3.768	6	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:4:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CH)(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CH)(C[5]N[5]O)(C[6]C[6]C){2|C<4>,2|H<1>,4|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	115.3660	0.000	1	115.3660	0.000	1	118.1268	3.768	6	118.1268	3.768	6	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:4:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(COO){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,3|H<1>,6|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	117.7950	0.000	1	117.7950	0.000	1	118.1268	3.768	6	118.1268	3.768	6	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:4:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]C)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	119.3600	0.000	1	119.3600	0.000	1	118.1268	3.768	6	118.1268	3.768	6	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:4:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	119.7320	0.000	1	119.7320	0.000	1	118.1268	3.768	6	118.1268	3.768	6	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:4:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C(C[6]C[5,6]C[6])(OC)(O)	120.1220	0.000	1	120.1220	0.000	1	118.1268	3.768	6	118.1268	3.768	6	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6a]-3:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CC[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CC[6a]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	115.8770	0.000	1	115.8770	0.000	1	115.8770	0.000	1	115.8770	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:4:3:4:	3:1:1:	C[5,6]-4:N[6]-3:C-3:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CHH)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CH3)	C(C[6]C[5,6]N[6])(H)2	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CH3){1|C<3>,4|H<1>}	C(C[6]C[5,6]N[6])(H)2	126.1060	0.000	1	126.1060	0.000	1	126.1060	0.000	1	126.1060	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	3:4:3:4:	3:4:1:	C[5,6]-4:N[6]-3:C-3:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CCH)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CCHH)	C(C[6]C[5,6]N[6])(CH3)(H)	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CCHH){1|C<3>,4|H<1>}	C(C[6]C[5,6]N[6])(CH3)(H)	124.6120	0.000	1	124.6120	0.000	1	124.6120	0.000	1	124.6120	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:2:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:O[5,6]-2:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(COO)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(COO){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(OC)(O)	121.6880	0.000	1	121.6880	0.000	1	121.6880	0.000	1	121.6880	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(CCH)	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(CCH)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(CCH){1|O<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[5,6]C[6])(CCH)(H)	116.1080	0.000	1	116.1080	0.000	1	116.1080	0.000	1	116.1080	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:3:2:1:	3:1:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:H-1:O-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CHO)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]C)(O[5]C[5])(H)	C(C[6]C[5,6]C[6])(H)(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CHO){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]C)(O[5]C[5])(H){2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(H)(O)	120.4690	0.000	1	120.4690	0.000	1	120.4690	0.000	1	120.4690	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:3:2:2:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:S[5]-2:S[5]-2:	C[6]-3:N-3:O-1:	C[6](C[5,6]C[6]S[5]2)(C[6]C[6]O)(CNO)	C[5,6](C[6]C[6]CN)(C[6]C[6]C)(S[5]C[5])2	C(C[6]C[5,6]C[6])(NC[6a]H)(O)	C[6](C[5,6]C[6]S[5]2)(C[6]C[6]O)(CNO){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[5,6](C[6]C[6]CN)(C[6]C[6]C)(S[5]C[5])2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C(C[6]C[5,6]C[6])(NC[6a]H)(O)	122.9380	0.000	1	122.9380	0.000	1	122.9380	0.000	1	122.9380	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:3:2:4:	3:4:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C-4:O-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(CCO)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(CHHO)	C(C[6]C[5,6]C[6])(CCHH)(O)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(CCO){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(CHHO){2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6])(CCHH)(O)	115.0100	0.000	1	115.0100	0.000	1	115.0100	0.000	1	115.0100	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:3:3:1:	3:1:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CHH)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]O)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]O)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6])(H)2	116.1360	0.000	1	116.1360	0.000	1	116.1360	0.000	1	116.1360	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:3:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,5,6]-4:N[5]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(COO)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(COO){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C(C[6]C[5,6]C[6])(OC)(O)	118.0690	0.000	1	118.0690	0.000	1	118.0690	0.000	1	117.3775	1.241	4	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:3:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(COO)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]C)(H){1|C<4>,3|H<1>}	C(C[6]C[5,6]C[6])(OC)(O)	118.5190	0.000	1	118.5190	0.000	1	118.5190	0.000	1	117.3775	1.241	4	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:3:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(COO)	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(COO){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	116.4610	0.512	2	116.4610	0.262	2	116.4610	0.262	2	117.3775	1.241	4	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CC[6a]H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	118.6850	0.000	1	118.6850	0.000	1	118.6850	0.000	1	118.6850	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:3:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(COO)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]C)(C[6]C[6]C)(COO)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(COO){1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]C)(C[6]C[6]C)(COO){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[5,6]C[6])(OC)(O)	117.5210	0.000	1	117.5210	0.000	1	117.5210	0.000	1	116.1987	1.319	3	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:3:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-4:C[5]-3:C[5]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(COO)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]C)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(COO){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]C){1|C<4>,2|H<1>,5|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	115.5375	0.127	2	115.5375	0.016	2	115.5375	0.016	2	116.1987	1.319	3	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:4:2:3:	3:1:1:	C[5,6]-4:C[6]-3:C-3:	C[5,5]-4:C[5]-4:O[6]-2:C[6]-3:	C[6]-3:O-1:O-1:	C[6](C[5,6]C[5,5]C[5]O[6])(C[6]C[6,6a]H)(COO)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]C)	C(C[6]C[5,6]C[6])(O)2	C[6](C[5,6]C[5,5]C[5]O[6])(C[6]C[6,6a]H)(COO){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]C){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6]C[5,6]C[6])(O)2	123.1700	0.000	1	123.1700	0.000	1	123.1700	0.000	1	123.1700	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C[6]-3:C-3:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(CHO)	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)(O)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(CHO){4|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]C)(H){1|O<2>,2|H<1>,5|C<4>}	C(C[6]C[5,6]C[6])(H)(O)	120.9140	0.000	1	120.9140	0.000	1	120.9140	0.000	1	121.5878	11.155	5	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(CHO)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)(O)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(CHO){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)(O)	118.6650	0.000	1	118.6650	0.000	1	118.6650	0.000	1	121.5878	11.155	5	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CHH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CHH){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C(C[6]C[5,6]C[6])(H)2	125.0685	0.265	2	125.0685	0.070	2	125.0685	0.070	2	121.5878	11.155	5	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CHO)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CHO){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[5,6]C[6])(H)(O)	118.2230	0.000	1	118.2230	0.000	1	118.2230	0.000	1	121.5878	11.155	5	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:4:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(COO)	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(COO){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]C)(H){3|H<1>,5|C<4>}	C(C[6]C[5,6]C[6])(OC)(O)	116.7090	0.000	1	116.7090	0.000	1	116.7090	0.000	1	119.4505	3.881	6	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:4:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(COO)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]C[6a]H)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(COO){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]C[6a]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[5,6]C[6])(OC)(O)	117.8830	0.000	1	117.8830	0.000	1	119.8498	3.314	4	119.4505	3.881	6	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:4:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]H)(COO)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(OH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]H)(COO){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C(C[6]C[5,6]C[6])(OH)(O)	118.7920	0.000	1	118.7920	0.000	1	119.8498	3.314	4	119.4505	3.881	6	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:4:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]H)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]H)(COO){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,2|O<2>,3|H<1>}	C(C[6]C[5,6]C[6])(OC)(O)	121.3620	0.617	2	121.3620	0.380	2	119.8498	3.314	4	119.4505	3.881	6	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:4:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	N[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(COO)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(COO){3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[5,6]C[6])(OC)(O)	120.5950	0.000	1	120.5950	0.000	1	120.5950	0.000	1	119.4505	3.881	6	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]O[6]H)(CNO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(NCO)(O)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]O[6]H)(CNO){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,2|O<2>,5|H<1>}	C(C[6]C[5,6]C[6])(NCO)(O)	125.4210	0.000	1	125.4210	0.000	1	125.4210	0.000	1	125.4210	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(CCH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(CCHH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(CCH){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){4|C<3>,4|H<1>}	C(C[6]C[5,6]C[6])(CCHH)(H)	122.0310	0.000	1	122.0310	0.000	1	122.0310	0.000	1	122.0310	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:4:3:1:	3:4:2:	C[5,6]-4:C[6]-3:C-3:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C-4:O-2:	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[5,6]O)(CCO)	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[5,6]C[5,6,6]C[6,6]C)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(CCHH)(OH)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[5,6]O)(CCO){1|C<3>,1|O<2>,6|C<4>}	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[5,6]C[5,6,6]C[6,6]C)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,4|O<2>}	C(C[6]C[5,6]C[6])(CCHH)(OH)	122.7870	0.000	1	122.7870	0.000	1	122.7870	0.000	1	122.7870	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:4:3:1:	3:4:4:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(CCC)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(CH3)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(CCC){1|N<3>,1|O<1>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C)(H){1|S<4>,2|C<3>,4|H<1>}	C(C[6]C[5,6]C[6])(CH3)2	124.1875	0.186	2	124.1875	0.035	2	123.8542	0.195	5	123.8542	0.195	5	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:4:3:1:	3:4:4:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(CCC)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(CH3)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(CCC){1|N<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C(C[6]C[5,6]C[6])(CH3)2	123.4830	0.000	1	123.4830	0.000	1	123.8542	0.195	5	123.8542	0.195	5	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:4:3:1:	3:4:4:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(CH3)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C(C[6]C[5,6]C[6])(CH3)2	123.2940	0.000	1	123.7065	0.340	2	123.8542	0.195	5	123.8542	0.195	5	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:4:3:1:	3:4:4:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(CH3)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|S<4>,2|C<3>,4|H<1>}	C(C[6]C[5,6]C[6])(CH3)2	124.1190	0.000	1	123.7065	0.340	2	123.8542	0.195	5	123.8542	0.195	5	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:4:3:4:	3:4:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCH)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(CCHH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3){2|C<4>,2|H<1>,2|O<1>}	C(C[6]C[5,6]C[6])(CCHH)(H)	122.7940	0.194	2	122.7940	0.038	2	122.7940	0.038	2	123.9938	20.019	5	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:4:3:4:	3:4:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:C-4:O-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCO)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(CCHH)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCO){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(CCHH)(O)	121.2525	0.047	2	121.2525	0.002	2	121.2525	0.002	2	123.9938	20.019	5	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:3:3:	4:4:3:4:	3:4:1:	C[5,6]-4:N[6]-3:C-3:	C[5,6,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(CCH)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]CH)(C[6]N[6]C)(CH3)	C(C[6]C[5,6]N[6])(CCHH)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(CCH){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]CH)(C[6]N[6]C)(CH3){1|O<1>,1|S<4>,3|C<4>,5|H<1>}	C(C[6]C[5,6]N[6])(CCHH)(H)	131.8760	0.000	1	131.8760	0.000	1	131.8760	0.000	1	123.9938	20.019	5	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	3:4:3:1:	3:2:1:	C[5,6]-4:C[6]-4:C-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:O-2:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CHO)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(OC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CHO){1|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[5,6]C[6])(OC)(H)	117.0810	0.000	1	117.0810	0.000	1	117.0810	0.000	1	117.0810	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	3:4:3:2:	3:3:1:	C[5,6]-4:C[6]-4:C-3:	N[5]-3:C[6]-4:C[6]-3:O[5]-2:	C[6]-3:C[6a]-3:H-1:	C[6](C[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CC[6a]H)	C[5,6](N[5]C[6a]C[5])(C[6]C[6]CH)(C[6]C[6]C)(O[5]N[5])	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CC[6a]H){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[5,6](N[5]C[6a]C[5])(C[6]C[6]CH)(C[6]C[6]C)(O[5]N[5]){1|N<3>,3|C<3>,4|H<1>}	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	121.8410	0.817	2	121.8410	0.668	2	121.8410	0.668	2	121.8410	0.668	2	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	3:4:3:4:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CHH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]C)(CCHH)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CHH){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]C)(CCHH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[6]C[5,6]C[6])(H)2	123.2490	0.000	1	123.2490	0.000	1	123.2490	0.000	1	123.2490	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:3:2:1:	3:2:1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:O-2:H-1:	C[6](C[5,6]C[5,6]O[5]H)2(CHO)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]C)(O[5]C[5])(H)	C(C[6]C[5,6]2)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)2(CHO){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]C)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C(C[6]C[5,6]2)(OC)(H)	124.2605	7.814	2	124.2605	61.062	2	124.2605	61.062	2	124.2605	61.062	2	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:3:2:2:	3:4:1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:O[5]-2:S[5]-2:	C[6]-3:C-4:H-1:	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCH)	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5])	C(C[6]C[5,6]C[6])(CH3)(H)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCH){3|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5]){2|C<4>,7|H<1>}	C(C[6]C[5,6]C[6])(CH3)(H)	126.3150	0.000	1	126.3150	0.000	1	126.3150	0.000	1	126.3150	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:3:3:1:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHH)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHH){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)2	120.7730	0.000	1	120.7730	0.000	1	120.7730	0.000	1	120.7730	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:3:3:1:	3:4:1:	C[5,6]-4:C[6]-4:C-3:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(CCH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(N[5]C[5]C)(H)	C(C[6]C[5,6]C[6])(CH3)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(CCH){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(N[5]C[5]C)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C(C[6]C[5,6]C[6])(CH3)(H)	123.2400	0.000	1	123.2400	0.000	1	123.2400	0.000	1	123.2400	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:3:3:1:	3:4:3:	C[5,6]-4:C[6]-4:C-3:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:C-4:C-3:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(CCC)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(N[5]C[5]C)(H)	C(C[6]C[5,6]C[6])(CH3)(CCH)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(CCC){3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	C(C[6]C[5,6]C[6])(CH3)(CCH)	118.2130	0.000	1	118.2130	0.000	1	118.2130	0.000	1	118.2130	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:3:3:4:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CHH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]O)(C[6]C[6]C)(CC[6a]HO)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CHH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]O)(C[6]C[6]C)(CC[6a]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6])(H)2	123.2785	0.301	2	123.2785	0.090	2	123.2785	0.090	2	123.2785	0.090	2	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]CC)(CHH)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]CC)(CHH){3|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6]C[5,6]C[6])(H)2	122.2690	0.000	1	122.2690	0.000	1	122.5470	0.129	3	122.2859	2.301	27	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CHH)	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CHH){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6]C[5,6]C[6])(H)2	122.6860	0.376	2	122.6860	0.142	2	122.5470	0.129	3	122.2859	2.301	27	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(CHH)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]O[5]CO)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(CHH){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]O[5]CO)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[5,6]C[6])(H)2	119.3730	0.000	1	119.3730	0.000	1	122.0540	2.955	8	122.2859	2.301	27	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(CHH)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(CHH){2|H<1>,3|C<4>,3|O<2>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[5,6]C[6])(H)2	124.5280	0.000	2	124.5280	0.000	2	122.0540	2.955	8	122.2859	2.301	27	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CHH)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CHH){1|N<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)2	122.0150	0.000	1	122.0150	0.000	1	122.0540	2.955	8	122.2859	2.301	27	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(C[6]C[6]C)(H){2|C<3>,3|C<4>,7|H<1>}	C(C[6]C[5,6]C[6])(H)2	121.4130	0.000	1	121.4130	0.000	1	122.0540	2.955	8	122.2859	2.301	27	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[5,6]C[6])(H)2	121.4840	0.000	1	121.4840	0.000	1	122.0540	2.955	8	122.2859	2.301	27	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[5,6]C[6])(H)2	121.5830	0.000	1	121.5455	0.003	2	122.0540	2.955	8	122.2859	2.301	27	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[5,6]C[6])(H)2	121.5080	0.000	1	121.5455	0.003	2	122.0540	2.955	8	122.2859	2.301	27	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(CHH)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(CHH){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)2	120.6300	0.000	1	120.6300	0.000	1	120.6300	0.000	1	122.2859	2.301	27	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHH)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHH){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)2	121.4265	0.325	2	121.4265	0.105	2	122.4677	2.500	15	122.2859	2.301	27	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH){1|Br<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)2	122.3910	0.000	1	122.3910	0.000	1	122.4677	2.500	15	122.2859	2.301	27	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HO)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HO)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(H)2	121.3930	0.233	2	121.3930	0.054	2	122.4677	2.500	15	122.2859	2.301	27	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[5,6]C[6])(H)2	124.0010	0.000	1	123.9380	0.008	2	122.4677	2.500	15	122.2859	2.301	27	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[5,6]C[6])(H)2	123.8750	0.000	1	123.9380	0.008	2	122.4677	2.500	15	122.2859	2.301	27	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)2	122.2340	0.000	1	121.7758	0.231	6	122.4677	2.500	15	122.2859	2.301	27	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)2	121.9530	0.071	2	121.7758	0.231	6	122.4677	2.500	15	122.2859	2.301	27	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)2	121.5050	0.574	3	121.7758	0.231	6	122.4677	2.500	15	122.2859	2.301	27	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHH){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){2|O<2>,3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)2	127.0660	0.000	1	127.0660	0.000	1	122.4677	2.500	15	122.2859	2.301	27	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(CHH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(CHH){1|S<4>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|N<3>,8|H<1>}	C(C[6]C[5,6]C[6])(H)2	123.3890	0.000	1	123.3890	0.000	1	122.4677	2.500	15	122.2859	2.301	27	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(CCO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[5,6]C[6])(CCO)(H)	122.1830	0.161	2	122.0898	0.014	5	122.8064	0.555	14	122.8064	0.555	14	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(CCO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[5,6]C[6])(CCO)(H)	122.0277	0.035	3	122.0898	0.014	5	122.8064	0.555	14	122.8064	0.555	14	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(CC[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCH){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<4>,7|H<1>}	C(C[6]C[5,6]C[6])(CC[6]H)(H)	123.2044	0.629	9	123.2044	0.396	9	122.8064	0.555	14	122.8064	0.555	14	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C(C[6]C[5,6]C[6])(CH3)(H)	122.9350	0.000	1	122.9350	0.000	1	122.9350	0.000	1	123.0025	0.009	2	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(C[6]C[6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C(C[6]C[5,6]C[6])(C[6]C[6]2H)(H)	123.0700	0.000	1	123.0700	0.000	1	123.0700	0.000	1	123.0025	0.009	2	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6]-4:C-3:	C[5,5]-4:C[5,6]-4:C[6]-3:O-2:	C[6]-3:C[6a]-3:H-1:	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]HH)(CC[6a]H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(OH)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]HH)(CC[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(OH){1|C<4>,1|S<4>,2|C<3>,7|H<1>}	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	119.5650	0.000	1	119.5650	0.000	1	119.5650	0.000	1	119.9468	0.183	4	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:C-3:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CCH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(OH)	C(C[6]C[5,6]C[6])(COO)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CCH){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(OH){1|C<4>,8|H<1>}	C(C[6]C[5,6]C[6])(COO)(H)	119.5870	0.000	1	119.5870	0.000	1	119.5870	0.000	1	119.9468	0.183	4	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:C[6a]-3:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CC[6a]H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]C)(OH)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CC[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]C)(OH){1|C<4>,8|H<1>}	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	120.3175	0.018	2	120.3175	0.000	2	120.3175	0.000	2	119.9468	0.183	4	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:2:	3:4:4:	C[5,6]-4:C[6]-4:C-3:	C[3x6]-4:C[5]-4:C[6]-3:O[5]-2:	C[6]-3:C-4:C-4:	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]HH)(CCC)	C[5,6](C[3x6]C[4x6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]C)(O[5]C[5])	C(C[6]C[5,6]C[6])(CH3)2	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]HH)(CCC){1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[3x6]C[4x6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]C)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C(C[6]C[5,6]C[6])(CH3)2	128.0020	0.000	1	128.0020	0.000	1	128.0020	0.000	1	128.0020	0.000	1	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:4:	3:4:4:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:C[5]-4:C-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]C)(CCHH)	C(C[6]C[5,6]C[6])(C[5]C[5]2H)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C){2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]C)(CCHH){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]C[6])(C[5]C[5]2H)(CH3)	127.7850	0.122	2	127.7850	0.015	2	127.3927	0.469	3	127.3927	0.469	3	120.8596	10.460	165	121.1582	10.591	190
762	474	930	0:SP2_SP2_SP3	C[6]	C[5,6]	C	4:4:3:	4:4:3:4:	3:4:4:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:C[5]-4:C-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(CCHH)	C(C[6]C[5,6]C[6])(C[5]C[5]2H)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(CCHH){1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6])(C[5]C[5]2H)(CH3)	126.6080	0.000	1	126.6080	0.000	1	127.3927	0.469	3	127.3927	0.469	3	120.8596	10.460	165	121.1582	10.591	190
762	474	941	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:2:2:	3:4:4:3:	3:3:	C[5,6]-4:N[6]-2:N-2:	C[6,6a]-3:C[5]-4:C[5]-4:C[6]-3:	C[6a]-3:C[6]-3:	C[6](C[5,6]C[6,6a]C[5]2)(N[6]C[6])(NC[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2(C[6]N[6]N)	N(C[6a]C[6a]N[6a])(C[6]C[5,6]N[6])	C[6](C[5,6]C[6,6a]C[5]2)(N[6]C[6])(NC[6a]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2(C[6]N[6]N){3|C<3>,5|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[5,6]N[6])	118.6670	0.000	1	118.6670	0.000	1	118.6670	0.000	1	118.6670	0.000	1	116.8213	6.539	32	116.8213	6.539	32
762	474	941	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:2:2:	4:4:3:2:	3:1:	C[5,6]-4:O[6]-2:N-2:	C[5,6]-4:C[5]-4:C[6]-3:C-2:	C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(NH)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]HH)(C[6]O[6]N)(CN)	N(C[6]C[5,6]O[6])(H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(NH){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]HH)(C[6]O[6]N)(CN){1|C<4>,2|H<1>,3|C<3>}	N(C[6]C[5,6]O[6])(H)	120.3995	0.076	2	120.3995	0.006	2	120.3995	0.006	2	120.3995	0.006	2	116.8213	6.539	32	116.8213	6.539	32
762	474	941	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:3:2:	3:3:3:3:	3:3:	C[5,6]-4:C[6]-3:N-2:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(NC)	C[5,6](C[5]C[6a]C[5])2(C[6]C[6]H)(C[6]C[6]N)	N(C[6]C[5,6]C[6])(CNO)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(NC){2|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5])2(C[6]C[6]H)(C[6]C[6]N){2|H<1>,7|C<3>}	N(C[6]C[5,6]C[6])(CNO)	116.2035	0.483	2	116.2035	0.233	2	116.2035	0.233	2	116.5563	0.490	3	116.8213	6.539	32	116.8213	6.539	32
762	474	941	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:3:2:	3:3:3:3:	3:3:	C[5,6]-4:C[6]-3:N-2:	C[6,6a]-3:C[5]-3:C[5]-3:C[6]-3:	C[6]-3:C-3:	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(NC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]N)	N(C[6]C[5,6]C[6])(CNO)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(NC){1|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]N){2|H<1>,9|C<3>}	N(C[6]C[5,6]C[6])(CNO)	117.2620	0.000	1	117.2620	0.000	1	117.2620	0.000	1	116.5563	0.490	3	116.8213	6.539	32	116.8213	6.539	32
762	474	941	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:3:2:	3:3:4:2:	3:3:	C[5,6]-4:N[5,6]-3:N-2:	N[5]-3:C[6]-3:C[5]-4:O[6]-2:	C[6]-3:C[6a]-3:	C[6](C[5,6]C[5]N[5]O[6])(N[5,6]C[5,6]C[5])(NC[6a])	C[5,6](N[5]C[6a]C[5])(C[6]N[5,6]N)(C[5]C[5]HH)(O[6]C[6])	N(C[6]C[5,6]N[5,6])(C[6a]C[6a]2)	C[6](C[5,6]C[5]N[5]O[6])(N[5,6]C[5,6]C[5])(NC[6a]){2|C<3>,4|C<4>,5|H<1>}	C[5,6](N[5]C[6a]C[5])(C[6]N[5,6]N)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N(C[6]C[5,6]N[5,6])(C[6a]C[6a]2)	114.1380	0.000	1	114.1380	0.000	1	114.1380	0.000	1	114.1380	0.000	1	116.8213	6.539	32	116.8213	6.539	32
762	474	941	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:3:2:	3:4:3:3:	3:1:	C[5,6]-4:C[6]-3:N-2:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N)	N(C[6]C[5,6]C[6])(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	N(C[6]C[5,6]C[6])(H)	118.5230	0.000	1	119.6629	9.745	7	119.6629	9.745	7	119.6629	9.745	7	116.8213	6.539	32	116.8213	6.539	32
762	474	941	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:3:2:	3:4:3:3:	3:1:	C[5,6]-4:C[6]-3:N-2:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N)	N(C[6]C[5,6]C[6])(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	N(C[6]C[5,6]C[6])(H)	119.8528	3.375	6	119.6629	9.745	7	119.6629	9.745	7	119.6629	9.745	7	116.8213	6.539	32	116.8213	6.539	32
762	474	941	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:4:2:	2:3:2:1:	3:2:	C[5,6]-4:C[6]-4:N-2:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[6]-3:O-2:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(NO)	C[5,6](O[5,6]C[5,6])(C[6]C[6]N)(O[5]C[5])(H)	N(C[6]C[5,6]C[6])(OC)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]N)(O[5]C[5])(H){1|C<4>,5|H<1>}	N(C[6]C[5,6]C[6])(OC)	114.9531	0.567	9	114.9531	0.321	9	115.1188	0.486	13	115.1188	0.486	13	116.8213	6.539	32	116.8213	6.539	32
762	474	941	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:4:2:	2:3:2:1:	3:2:	C[5,6]-4:C[6]-4:N-2:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[6]-3:O-2:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(NO)	C[5,6](O[5,6]C[5,6])(C[6]C[6]N)(O[5]C[5])(H)	N(C[6]C[5,6]C[6])(OC[6a])	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]N)(O[5]C[5])(H){1|C<4>,5|H<1>}	N(C[6]C[5,6]C[6])(OC[6a])	114.8690	0.871	2	114.8690	0.759	2	115.1188	0.486	13	115.1188	0.486	13	116.8213	6.539	32	116.8213	6.539	32
762	474	941	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:4:2:	2:3:2:1:	3:2:	C[5,6]-4:C[6]-4:N-2:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[6]-3:O-2:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(NO)	C[5,6](O[5,6]C[5,6])(C[6]C[6]N)(O[5]C[5])(H)	N(C[6]C[5,6]C[6])(OH)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]N)(O[5]C[5])(H){1|C<4>,5|H<1>}	N(C[6]C[5,6]C[6])(OH)	116.1145	0.378	2	116.1145	0.143	2	115.1188	0.486	13	115.1188	0.486	13	116.8213	6.539	32	116.8213	6.539	32
762	474	941	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:4:2:	2:4:3:3:	3:2:	C[5,6]-4:C[6]-4:N-2:	O[5,6]-2:C[5]-4:C[6]-3:C-3:	C[6]-3:O-2:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(NO)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]N)(COO)	N(C[6]C[5,6]C[6])(OC)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(NO){2|C<4>,4|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]N)(COO){3|C<4>,3|H<1>}	N(C[6]C[5,6]C[6])(OC)	116.0060	0.000	1	116.0060	0.000	1	116.0060	0.000	1	116.0060	0.000	1	116.8213	6.539	32	116.8213	6.539	32
762	474	941	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:4:2:	4:3:3:1:	3:2:	C[5,6]-4:C[6]-4:N-2:	C[5,6,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:O-2:	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[5,6]HH)(NO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)(H)	N(C[6]C[5,6]C[6])(OH)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[5,6]HH)(NO){2|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)(H){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	N(C[6]C[5,6]C[6])(OH)	115.6910	0.000	1	115.6910	0.000	1	115.6910	0.000	1	116.2505	0.626	2	116.8213	6.539	32	116.8213	6.539	32
762	474	941	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:4:2:	4:3:3:1:	3:2:	C[5,6]-4:C[6]-4:N-2:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:O-2:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NO)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]N)(N[5]C[5]S)(H)	N(C[6]C[5,6]C[6])(OH)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NO){1|S<4>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]N)(N[5]C[5]S)(H){1|C<4>,5|H<1>}	N(C[6]C[5,6]C[6])(OH)	116.8100	0.000	1	116.8100	0.000	1	116.8100	0.000	1	116.2505	0.626	2	116.8213	6.539	32	116.8213	6.539	32
762	474	941	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:4:2:	4:4:3:3:	3:3:	C[5,6]-4:C[6]-4:N-2:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:N-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(NN)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]N)(COO)	N(C[6]C[5,6]C[6])(NC[6a]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(NN){3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]N)(COO){2|C<4>,7|H<1>}	N(C[6]C[5,6]C[6])(NC[6a]H)	114.7460	0.000	1	114.7460	0.000	1	114.7460	0.000	1	114.7460	0.000	1	116.8213	6.539	32	116.8213	6.539	32
762	474	941	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:4:2:	4:4:3:4:	3:2:	C[5,6]-4:C[6]-4:N-2:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[6]-3:O-2:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(NO)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]N)(CH3)	N(C[6]C[5,6]C[6])(OH)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(NO){3|H<1>,5|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]N)(CH3){1|O<2>,4|C<4>,7|H<1>}	N(C[6]C[5,6]C[6])(OH)	117.5710	0.000	1	117.5710	0.000	1	117.5710	0.000	1	117.5710	0.000	1	116.8213	6.539	32	116.8213	6.539	32
762	474	944	0:SP2_SP-NON_SP3	C[6]	C[5,6]	I	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:I-1:	C[5a,6]-3:C[5,6a]-3:C[5,6a]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]2C[5a,6])(C[6]C[6,6a]H)(I)	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]I)	I(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]2C[5a,6])(C[6]C[6,6a]H)(I){7|C<3>}	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]I){1|N<3>,3|H<1>,7|C<3>}	I(C[6]C[5,6]C[6])	115.7500	0.000	1	115.7500	0.000	1	115.7500	0.000	1	115.7500	0.000	1	114.9263	7.312	7	114.9263	7.312	7
762	474	944	0:SP2_SP-NON_SP3	C[6]	C[5,6]	I	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:I-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(I)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H)	I(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(I){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	I(C[6]C[5,6]C[6])	115.7520	0.000	1	115.4647	1.084	3	115.4647	1.084	3	115.4647	1.084	3	114.9263	7.312	7	114.9263	7.312	7
762	474	944	0:SP2_SP-NON_SP3	C[6]	C[5,6]	I	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:I-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(I)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H)	I(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(I){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	I(C[6]C[5,6]C[6])	115.3210	1.430	2	115.4647	1.084	3	115.4647	1.084	3	115.4647	1.084	3	114.9263	7.312	7	114.9263	7.312	7
762	474	944	0:SP2_SP-NON_SP3	C[6]	C[5,6]	I	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:I-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]H)(I)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H)	I(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]H)(I){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	I(C[6]C[5,6]C[6])	116.9900	0.000	1	114.1133	19.087	3	114.1133	19.087	3	114.1133	19.087	3	114.9263	7.312	7	114.9263	7.312	7
762	474	944	0:SP2_SP-NON_SP3	C[6]	C[5,6]	I	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:I-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]H)(I)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H)	I(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]H)(I){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	I(C[6]C[5,6]C[6])	112.6750	5.076	2	114.1133	19.087	3	114.1133	19.087	3	114.1133	19.087	3	114.9263	7.312	7	114.9263	7.312	7
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,3x6]	H	4:3:1:	3:3:3:3:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-3:C[6,6]-3:C[6,6]-3:N[5]-3:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)2(N[5]C[5]C)	H(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)2(N[5]C[5]C){1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[5,3x6]C[6,6])	123.4240	0.182	2	123.4240	0.033	2	123.4240	0.033	2	123.6597	0.183	3	122.3528	1.849	37	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,3x6]	H	4:3:1:	3:3:3:3:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-3:C[6,6]-3:Se[5]-3:	C[6,6]-3:	C[6,6](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(Se[5]C[5]O)	H(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6]C[3x6]H)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(Se[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[5,3x6]C[6,6])	124.1310	0.000	1	124.1310	0.000	1	124.1310	0.000	1	123.6597	0.183	3	122.3528	1.849	37	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,3x6]	H	4:3:1:	3:3:3:4:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-3:C[6,6]-3:C[5]-4:	C[6,6]-3:	C[6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(C[5]C[5]CH)	H(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6]C[3x6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(C[5]C[5]CH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[6,6]C[5,3x6]C[6,6])	120.7885	1.293	2	120.7885	1.673	2	120.7885	1.673	2	120.7885	1.673	2	122.3528	1.849	37	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,3x6]	H	4:3:1:	4:3:2:4:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:O[6,6]-2:C[5]-4:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,3x6]O[6,6]C[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,3x6]C[6,6]2N[5,6])(C[6,6]C[6,6]H)(O[6,6]O[6,6])(C[5]C[5]HH)	H(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,3x6]O[6,6]C[5])(C[6,6]C[3x6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,3x6](C[5,3x6]C[6,6]2N[5,6])(C[6,6]C[6,6]H)(O[6,6]O[6,6])(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[6,6])	124.1615	0.068	6	124.1615	0.005	6	124.1615	0.005	6	124.1615	0.005	6	122.3528	1.849	37	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,3x6]	H	4:3:1:	4:3:3:4:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:C[5]-4:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[5]C[5]HH)	H(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]H)(H){1|O<1>,3|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[5]C[5]HH){1|O<2>,2|C<4>,7|H<1>}	H(C[6,6]C[5,3x6]C[6,6])	119.1570	0.795	2	119.1570	0.632	2	119.1570	0.632	2	119.1570	0.632	2	122.3528	1.849	37	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,3x6]	H	4:3:1:	4:4:3:1:	3:	C[5,3x6]-4:C[3x6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[6,6]C[3x6]H)(H)	H(C[6,6]C[5,3x6]C[3x6])	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>,3|O<2>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[5,3x6]C[3x6])	122.1970	0.000	1	122.1970	0.000	1	122.6440	0.157	3	122.2049	0.367	9	122.3528	1.849	37	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,3x6]	H	4:3:1:	4:4:3:1:	3:	C[5,3x6]-4:C[3x6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]O[6,6]C[5]C)(C[6,6]C[3x6]H)(H)	H(C[6,6]C[5,3x6]C[3x6])	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]O[6,6]C[5]C)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,3x6]C[3x6])	122.8675	0.120	2	122.8675	0.014	2	122.6440	0.157	3	122.2049	0.367	9	122.3528	1.849	37	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,3x6]	H	4:3:1:	4:4:3:1:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]C)(H)	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]C)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[5,3x6]C[6,6])	121.7200	0.000	1	121.7200	0.000	1	122.1937	0.122	4	122.2049	0.367	9	122.3528	1.849	37	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,3x6]	H	4:3:1:	4:4:3:1:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H){3|C<4>,3|O<1>,5|H<1>}	H(C[6,6]C[5,3x6]C[6,6])	122.2665	0.149	2	122.3517	0.033	3	122.1937	0.122	4	122.2049	0.367	9	122.3528	1.849	37	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,3x6]	H	4:3:1:	4:4:3:1:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|N<3>,1|S<4>,2|H<1>,3|C<4>}	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[5,3x6]C[6,6])	122.5220	0.000	1	122.3517	0.033	3	122.1937	0.122	4	122.2049	0.367	9	122.3528	1.849	37	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,3x6]	H	4:3:1:	4:4:3:1:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,2|O<1>}	H(C[6,6]C[5,3x6]C[6,6])	120.9090	0.000	1	120.9090	0.000	1	121.5685	0.870	2	122.2049	0.367	9	122.3528	1.849	37	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,3x6]	H	4:3:1:	4:4:3:1:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,5|H<1>}	H(C[6,6]C[5,3x6]C[6,6])	122.2280	0.000	1	122.2280	0.000	1	121.5685	0.870	2	122.2049	0.367	9	122.3528	1.849	37	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,3x6]	H	4:3:1:	4:4:3:3:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-3:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C)	H(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]H)(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C){1|C<4>,2|O<1>,4|H<1>}	H(C[6,6]C[5,3x6]C[6,6])	122.8470	0.962	2	122.8470	0.925	2	122.8470	0.925	2	122.8843	0.467	3	122.3528	1.849	37	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,3x6]	H	4:3:1:	4:4:3:3:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:N[5]-3:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[5]C[5]C)	H(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]H)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[5]C[5]C){1|C<4>,1|O<1>,6|H<1>}	H(C[6,6]C[5,3x6]C[6,6])	122.9590	0.000	1	122.9590	0.000	1	122.9590	0.000	1	122.8843	0.467	3	122.3528	1.849	37	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,3x6]	H	4:3:1:	4:4:3:4:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(CH3)	H(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(CH3){2|C<4>,2|H<1>,2|O<1>}	H(C[6,6]C[5,3x6]C[6,6])	120.7250	0.000	1	120.7250	0.000	1	120.7250	0.000	1	121.8674	0.698	10	122.3528	1.849	37	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,3x6]	H	4:3:1:	4:4:3:4:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]CH)	H(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H){1|O<2>,3|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]CH){2|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[5,3x6]C[6,6])	121.3810	0.000	1	121.3810	0.000	1	122.0364	0.673	8	121.8674	0.698	10	122.3528	1.849	37	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,3x6]	H	4:3:1:	4:4:3:4:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	H(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]C[5,3x6]C[6,6])	122.0873	1.064	3	122.1300	0.703	7	122.0364	0.673	8	121.8674	0.698	10	122.3528	1.849	37	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,3x6]	H	4:3:1:	4:4:3:4:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	H(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[5,3x6]C[6,6])	122.7755	0.037	2	122.1300	0.703	7	122.0364	0.673	8	121.8674	0.698	10	122.3528	1.849	37	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,3x6]	H	4:3:1:	4:4:3:4:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	H(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H){1|O<2>,4|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){2|C<4>,2|O<2>,7|H<1>}	H(C[6,6]C[5,3x6]C[6,6])	121.0810	0.000	1	122.1300	0.703	7	122.0364	0.673	8	121.8674	0.698	10	122.3528	1.849	37	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,3x6]	H	4:3:1:	4:4:3:4:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	H(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]H)(H){1|O<2>,4|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){2|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[5,3x6]C[6,6])	122.0160	0.000	1	122.1300	0.703	7	122.0364	0.673	8	121.8674	0.698	10	122.3528	1.849	37	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,3x6]	H	4:3:1:	4:4:3:4:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-4:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[5]C[5]HH)	H(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]H)(H){1|O<2>,4|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[5,3x6]C[6,6])	121.6580	0.000	1	121.6580	0.000	1	121.6580	0.000	1	121.8674	0.698	10	122.3528	1.849	37	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,3x6]	H	4:3:1:	4:4:4:3:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]C)(H)	C[5,3x6](C[5,6,6]C[6,6]O[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]C)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]O[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[6,6]C[5,3x6]C[6,6])	122.0210	0.078	2	122.0210	0.006	2	122.0210	0.006	2	122.0210	0.006	2	122.3528	1.849	37	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,4x6]	H	4:3:1:	3:4:3:3:	3:	C[5,4x6]-4:C[6,6]-3:H-1:	N[5,6,6]-3:C[3x6]-4:N[5,6]-3:C[6,6]-3:	C[6,6]-3:	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(H)	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6])	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,6|H<1>}	H(C[6,6]C[5,4x6]C[6,6])	124.1070	0.000	1	123.9710	0.008	5	123.9710	0.008	5	123.9710	0.008	5	121.3873	12.555	18	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,4x6]	H	4:3:1:	3:4:3:3:	3:	C[5,4x6]-4:C[6,6]-3:H-1:	N[5,6,6]-3:C[3x6]-4:N[5,6]-3:C[6,6]-3:	C[6,6]-3:	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(H)	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6])	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,5|H<1>}	H(C[6,6]C[5,4x6]C[6,6])	123.9880	0.000	1	123.9710	0.008	5	123.9710	0.008	5	123.9710	0.008	5	121.3873	12.555	18	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,4x6]	H	4:3:1:	3:4:3:3:	3:	C[5,4x6]-4:C[6,6]-3:H-1:	N[5,6,6]-3:C[3x6]-4:N[5,6]-3:C[6,6]-3:	C[6,6]-3:	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(H)	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6])	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	H(C[6,6]C[5,4x6]C[6,6])	123.8700	0.000	1	123.9710	0.008	5	123.9710	0.008	5	123.9710	0.008	5	121.3873	12.555	18	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,4x6]	H	4:3:1:	3:4:3:3:	3:	C[5,4x6]-4:C[6,6]-3:H-1:	N[5,6,6]-3:C[3x6]-4:N[5,6]-3:C[6,6]-3:	C[6,6]-3:	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(H)	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6])	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H){1|O<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	H(C[6,6]C[5,4x6]C[6,6])	123.9450	0.014	2	123.9710	0.008	5	123.9710	0.008	5	123.9710	0.008	5	121.3873	12.555	18	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,4x6]	H	4:3:1:	4:3:3:3:	3:	C[5,4x6]-4:C[6,6]-3:H-1:	C[3,3x6]-4:N[5,6,6]-3:N[5,6]-3:C[6,6]-3:	C[6,6]-3:	C[6,6](C[5,4x6]C[3,3x6]N[5,6,6]N[5,6])(C[6,6]C[3x6]H)(H)	C[5,4x6](C[3,3x6]C[3,6]C[6,6]O[3])(N[5,6,6]C[6,6]C[5])(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6])	C[6,6](C[5,4x6]C[3,3x6]N[5,6,6]N[5,6])(C[6,6]C[3x6]H)(H){2|O<2>,3|C<3>,3|C<4>}	C[5,4x6](C[3,3x6]C[3,6]C[6,6]O[3])(N[5,6,6]C[6,6]C[5])(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H){1|C<4>,2|O<1>,3|C<3>,5|H<1>}	H(C[6,6]C[5,4x6]C[6,6])	123.9650	0.000	1	123.9650	0.000	1	123.9650	0.000	1	123.9650	0.000	1	121.3873	12.555	18	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,4x6]	H	4:3:1:	4:4:3:3:	3:	C[5,4x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[6,6]-3:C[6,6]-3:	C[6,6]-3:	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]H)(H)	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6])	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]H)(H){1|O<1>,3|H<1>,5|C<4>}	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H){1|N<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[5,4x6]C[6,6])	122.1875	0.056	2	122.1875	0.003	2	122.1875	0.003	2	119.0457	18.077	8	121.3873	12.555	18	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,4x6]	H	4:3:1:	4:4:3:3:	3:	C[5,4x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-3:C[6,6]-3:	C[6,6]-3:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]H)(H)	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)	H(C[6,6]C[5,4x6]C[6,6])	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,8|H<1>}	H(C[6,6]C[5,4x6]C[6,6])	123.4120	0.000	1	123.4120	0.000	1	123.4120	0.000	1	119.0457	18.077	8	121.3873	12.555	18	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,4x6]	H	4:3:1:	4:4:3:3:	3:	C[5,4x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6a]-3:C[6,6]-3:	C[6,6]-3:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6a])(C[6,6]C[3x6]H)(H)	C[5,4x6](C[5,3x6]C[6,6]N[5,6]H)(C[5,6,6]O[6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6])	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6a])(C[6,6]C[3x6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,4x6](C[5,3x6]C[6,6]N[5,6]H)(C[5,6,6]O[6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]H){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[5,4x6]C[6,6])	120.4020	0.000	1	120.4020	0.000	1	120.4020	0.000	1	119.0457	18.077	8	121.3873	12.555	18	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,4x6]	H	4:3:1:	4:4:3:3:	3:	C[5,4x6]-4:C[6,6]-3:H-1:	C[5,5x6]-4:P[5,5,3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6]-3:	C[6,6](C[5,4x6]P[5,5,3x6]C[5,5x6]C[6a])(C[6,6]C[5x6]C[6a])(H)	C[5,4x6](C[5,5x6]P[5,5,3x6]C[5x6]C[6a])(P[5,5,3x6]C[5,5x6]O[5,5]O)(C[6,6]C[6,6]H)(C[6a]C[6a]2)	H(C[6,6]C[5,4x6]C[6,6])	C[6,6](C[5,4x6]P[5,5,3x6]C[5,5x6]C[6a])(C[6,6]C[5x6]C[6a])(H){1|H<1>,1|O<1>,1|O<2>,1|P<4>,2|C<4>,5|C<3>}	C[5,4x6](C[5,5x6]P[5,5,3x6]C[5x6]C[6a])(P[5,5,3x6]C[5,5x6]O[5,5]O)(C[6,6]C[6,6]H)(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,7|C<3>}	H(C[6,6]C[5,4x6]C[6,6])	116.0443	4.077	4	116.0443	16.619	4	116.0443	16.619	4	119.0457	18.077	8	121.3873	12.555	18	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,4x6]	H	4:3:1:	4:4:4:3:	3:	C[5,4x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-3:	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]H)(H)	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]OO)(C[6,6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6])	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]H)(H){2|O<2>,3|H<1>,5|C<4>}	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]OO)(C[6,6]C[6,6]H){1|N<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[5,4x6]C[6,6])	122.0340	0.000	1	122.0340	0.000	1	121.9225	0.025	2	122.1963	0.120	4	121.3873	12.555	18	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,4x6]	H	4:3:1:	4:4:4:3:	3:	C[5,4x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-3:	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]H)(H)	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6])	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]H)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6,6]C[5,4x6]C[6,6])	121.8110	0.000	1	121.8110	0.000	1	121.9225	0.025	2	122.1963	0.120	4	121.3873	12.555	18	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,4x6]	H	4:3:1:	4:4:4:3:	3:	C[5,4x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-3:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]C)(H)	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6])	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]C)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	H(C[6,6]C[5,4x6]C[6,6])	122.4700	0.187	2	122.4700	0.035	2	122.4700	0.035	2	122.1963	0.120	4	121.3873	12.555	18	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,5,6,6]	H	4:3:1:	4:4:3:1:	3:	C[5,5,6,6]-4:C[6,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,5,6,6]C[5,5,6,6]2H)(C[6,6]C[3,6,6]H)(H)	C[5,5,6,6](C[5,5,6,6]C[3,5,6,6]C[5,6]Si)(C[5,5,6,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,5,6,6]C[6,6])	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>}	C[5,5,6,6](C[5,5,6,6]C[3,5,6,6]C[5,6]Si)(C[5,5,6,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]H)(H){2|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6,6]C[5,5,6,6]C[6,6])	122.3240	0.000	1	122.3240	0.000	1	122.3240	0.000	1	122.3240	0.000	1	122.3240	0.000	1	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,6,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]H)(H)	C[5,6,6](C[5,6]C[3,5,6]C[5a]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[6,6])	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>}	C[5,6,6](C[5,6]C[3,5,6]C[5a]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	H(C[6,6]C[5,6,6]C[6,6])	121.0350	0.000	1	121.0350	0.000	1	121.6970	0.876	2	121.6970	0.876	2	121.7310	0.404	4	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,6,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]H)(H)	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[6,6])	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>}	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]C[6,6])	122.3590	0.000	1	122.3590	0.000	1	121.6970	0.876	2	121.6970	0.876	2	121.7310	0.404	4	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,6,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]H)(H)	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[6,6])	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>}	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6,6]C[5,6,6]C[6,6])	122.1720	0.000	1	122.1720	0.000	1	122.1720	0.000	1	122.1720	0.000	1	121.7310	0.404	4	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6,6]	C[5,6,6]	H	4:3:1:	4:4:3:4:	3:	C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,6]2C)(C[6,6]C[3,6,6]C)(H)	C[5,6,6](C[5,6]C[3,5,6]C[6a]H)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]H)(CH3)	H(C[6,6]C[5,6,6]C[6,6])	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>}	C[5,6,6](C[5,6]C[3,5,6]C[6a]H)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[5,6,6]C[6,6])	121.3580	0.000	1	121.3580	0.000	1	121.3580	0.000	1	121.3580	0.000	1	121.7310	0.404	4	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,3x6]	H	4:3:1:	3:3:4:3:	3:	C[5,3x6]-4:C[5a,6]-3:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-3:	C[6]-3:	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6]N[5a])(H)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H)	H(C[6]C[5,3x6]C[5a,6])	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6]N[5a])(H){1|C<4>,1|N<2>,8|C<3>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H){1|N<3>,9|C<3>}	H(C[6]C[5,3x6]C[5a,6])	119.6920	0.000	1	119.6920	0.000	1	119.6960	0.000	2	119.1807	0.797	3	118.4338	0.737	12	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,3x6]	H	4:3:1:	3:3:4:3:	3:	C[5,3x6]-4:C[5a,6]-3:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-3:	C[6]-3:	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6]N[5a])(H)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H)	H(C[6]C[5,3x6]C[5a,6])	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6]N[5a])(H){1|C<4>,1|N<2>,8|C<3>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H){1|N<3>,9|C<3>}	H(C[6]C[5,3x6]C[5a,6])	119.7000	0.000	1	119.7000	0.000	1	119.6960	0.000	2	119.1807	0.797	3	118.4338	0.737	12	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,3x6]	H	4:3:1:	3:3:4:3:	3:	C[5,3x6]-4:C[6]-3:H-1:	C[6,6,6a]-3:P[5,6,6]-3:C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[5,3x6]C[6,6,6a]P[5,6,6]C[5,6])(C[6]C[6]H)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6])(C[5,6]P[3,5,6]SiH)(C[6]C[6]H)	H(C[6]C[5,3x6]C[6])	C[6](C[5,3x6]C[6,6,6a]P[5,6,6]C[5,6])(C[6]C[6]H)(H){1|Si<4>,2|H<1>,2|P<3>,3|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6])(C[5,6]P[3,5,6]SiH)(C[6]C[6]H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[5,3x6]C[6])	118.1500	0.000	1	118.1500	0.000	1	118.1500	0.000	1	119.1807	0.797	3	118.4338	0.737	12	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,3x6]	H	4:3:1:	3:4:4:3:	3:	C[5,3x6]-4:C[6]-3:H-1:	C[6,6,6a]-3:P[5,6,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[5,3x6]C[6,6,6a]P[5,6,6]C[5,6])(C[6]C[6]H)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6]Au)(C[5,6]P[3,5,6]SiH)(C[6]C[6]H)	H(C[6]C[5,3x6]C[6])	C[6](C[5,3x6]C[6,6,6a]P[5,6,6]C[5,6])(C[6]C[6]H)(H){1|Au<2>,1|Si<4>,2|H<1>,2|P<3>,3|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6]Au)(C[5,6]P[3,5,6]SiH)(C[6]C[6]H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[5,3x6]C[6])	118.5500	0.000	1	118.5500	0.000	1	118.7153	0.026	3	118.7153	0.026	3	118.4338	0.737	12	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,3x6]	H	4:3:1:	3:4:4:3:	3:	C[5,3x6]-4:C[6]-3:H-1:	C[6,6,6a]-3:P[5,6,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[5,3x6]C[6,6,6a]P[5,6,6]C[5,6])(C[6]C[6]H)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6]Cu)(C[5,6]P[3,5,6]SiH)(C[6]C[6]H)	H(C[6]C[5,3x6]C[6])	C[6](C[5,3x6]C[6,6,6a]P[5,6,6]C[5,6])(C[6]C[6]H)(H){1|Cu<3>,1|Si<4>,2|H<1>,2|P<3>,3|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6]Cu)(C[5,6]P[3,5,6]SiH)(C[6]C[6]H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[5,3x6]C[6])	118.7980	0.102	2	118.7980	0.010	2	118.7153	0.026	3	118.7153	0.026	3	118.4338	0.737	12	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,3x6]	H	4:3:1:	4:3:3:3:	3:	C[5,3x6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[5,6,6]-3:C[5,6,6]-3:C[6]-3:	C[6]-3:	C[6](C[5,3x6]C[5,3x6]C[5,6,6]2)(C[6]C[6,6a]C[6a])(H)	C[5,3x6](C[5,3x6]C[5,6,6a]2C[6,6a])(C[5,6,6]C[5,6,6]2)2(C[6]C[6]H)	H(C[6]C[5,3x6]C[6])	C[6](C[5,3x6]C[5,3x6]C[5,6,6]2)(C[6]C[6,6a]C[6a])(H){2|C<4>,8|C<3>}	C[5,3x6](C[5,3x6]C[5,6,6a]2C[6,6a])(C[5,6,6]C[5,6,6]2)2(C[6]C[6]H){11|C<3>,2|C<4>}	H(C[6]C[5,3x6]C[6])	116.9700	0.000	1	116.9700	0.000	1	116.9700	0.000	1	116.9700	0.000	1	118.4338	0.737	12	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,3x6]	H	4:3:1:	4:4:3:3:	3:	C[5,3x6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,3x6]C[5,3x6]C[3x6]N[5])(C[6]C[6]H)(H)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)(N[5]C[5]H)	H(C[6]C[5,3x6]C[6])	C[6](C[5,3x6]C[5,3x6]C[3x6]N[5])(C[6]C[6]H)(H){1|C<3>,4|C<4>,5|H<1>}	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	H(C[6]C[5,3x6]C[6])	117.8730	0.000	1	117.8730	0.000	1	117.8730	0.000	1	118.5515	0.921	2	118.4338	0.737	12	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,3x6]	H	4:3:1:	4:4:3:3:	3:	C[5,3x6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[5,3x6]C[5,3x6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,3x6](C[5,3x6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(N[5,6]C[5]C[6])(C[6]C[6]H)	H(C[6]C[5,3x6]C[6])	C[6](C[5,3x6]C[5,3x6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5,3x6](C[5,3x6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(N[5,6]C[5]C[6])(C[6]C[6]H){10|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[5,3x6]C[6])	119.2300	0.000	1	119.2300	0.000	1	119.2300	0.000	1	118.5515	0.921	2	118.4338	0.737	12	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,3x6]	H	4:3:1:	4:4:4:3:	3:	C[5,3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6]H)(H)	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H)	H(C[6]C[5,3x6]C[6])	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6]H)(H){1|O<1>,4|C<4>,5|H<1>}	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[5,3x6]C[6])	118.0740	0.000	1	117.8150	0.156	3	117.8150	0.156	3	117.8150	0.156	3	118.4338	0.737	12	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,3x6]	H	4:3:1:	4:4:4:3:	3:	C[5,3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6]H)(H)	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H)	H(C[6]C[5,3x6]C[6])	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6]H)(H){1|O<1>,4|C<4>,5|H<1>}	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H){1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[5,3x6]C[6])	117.3600	0.000	1	117.8150	0.156	3	117.8150	0.156	3	117.8150	0.156	3	118.4338	0.737	12	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,3x6]	H	4:3:1:	4:4:4:3:	3:	C[5,3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6]H)(H)	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H)	H(C[6]C[5,3x6]C[6])	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6]H)(H){1|O<2>,4|C<4>,6|H<1>}	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,3x6]C[6])	118.0110	0.000	1	117.8150	0.156	3	117.8150	0.156	3	117.8150	0.156	3	118.4338	0.737	12	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6,6]	H	4:3:1:	3:3:4:3:	3:	C[5,5,6,6]-4:C[6]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5])(C[6]C[6]H)(H)	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]HH)(C[6]C[6]H)	H(C[6]C[5,5,6,6]C[6])	C[6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5])(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]HH)(C[6]C[6]H){4|C<3>,4|H<1>}	H(C[6]C[5,5,6,6]C[6])	117.9780	0.000	1	117.9780	0.000	1	117.9780	0.000	1	117.9780	0.000	1	119.6476	2.857	5	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6,6]	H	4:3:1:	4:2:2:3:	3:	C[5,5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:O[5,5]-2:O[5,6]-2:C[6]-3:	C[6]-3:	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]C)(H)	C[5,5,6,6](C[5,6,6]C[5,5,6]C[6]C)(O[5,5]C[3x5,6])(O[5,6]C[5,5,6])(C[6]C[6]H)	H(C[6]C[5,5,6,6]C[6])	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]C)(H){2|H<1>,5|C<4>}	C[5,5,6,6](C[5,6,6]C[5,5,6]C[6]C)(O[5,5]C[3x5,6])(O[5,6]C[5,5,6])(C[6]C[6]H){3|H<1>,6|C<4>}	H(C[6]C[5,5,6,6]C[6])	118.8765	0.276	2	118.8765	0.076	2	118.8765	0.076	2	118.8765	0.076	2	119.6476	2.857	5	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6,6]	H	4:3:1:	4:3:2:3:	3:	C[5,5,6,6]-4:C[6]-3:H-1:	C[4,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6]-3:	C[6]-3:	C[6](C[5,5,6,6]C[4,5,6,6]C[5,6,6a]O[5,5])(C[6]C[6]H)(H)	C[5,5,6,6](C[4,5,6,6]C[4,5,6]C[4,6a]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6]C[6]H)	H(C[6]C[5,5,6,6]C[6])	C[6](C[5,5,6,6]C[4,5,6,6]C[5,6,6a]O[5,5])(C[6]C[6]H)(H){1|H<1>,2|C<4>,4|C<3>}	C[5,5,6,6](C[4,5,6,6]C[4,5,6]C[4,6a]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6]C[6]H){5|C<3>,5|H<1>}	H(C[6]C[5,5,6,6]C[6])	122.3060	0.000	1	122.3060	0.000	1	122.3060	0.000	1	122.3060	0.000	1	119.6476	2.857	5	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6,6]	H	4:3:1:	4:4:4:3:	3:	C[5,5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(C[6]C[6]H)	H(C[6]C[5,5,6,6]C[6])	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[5,5,6,6]C[6])	120.2010	0.000	1	120.2010	0.000	1	120.2010	0.000	1	120.2010	0.000	1	119.6476	2.857	5	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,6]-3:N[5,5]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]N)(H)	C[5,5,6](C[5,6]C[5]C[6])(N[5,5]C[5]2)(C[5]C[5]H)(C[6]C[6]H)	H(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]N)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5]C[6])(N[5,5]C[5]2)(C[5]C[5]H)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,6|H<1>}	H(C[6]C[5,5,6]C[6])	118.5890	0.000	1	118.5890	0.000	1	118.5890	0.000	1	118.5890	0.000	1	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	3:4:4:3:	3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,5,6](C[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]H)	H(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]H){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,5,6]C[6])	119.6670	0.000	1	119.6670	0.000	1	119.6670	0.000	1	119.6670	0.000	1	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	4:2:4:3:	3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]H)(H)	C[5,5,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[5]O[5]HH)(C[6]C[6]H)	H(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]H)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[5]O[5]HH)(C[6]C[6]H){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,5,6]C[6])	120.6900	0.000	1	120.6900	0.000	1	120.6900	0.000	1	120.6900	0.000	1	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:N[5,5]-3:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]C)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H)	H(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H){1|I<1>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	H(C[6]C[5,5,6]C[6])	116.9740	0.000	1	116.9740	0.000	1	117.7897	0.542	3	118.3012	0.905	6	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:N[5,5]-3:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H)	H(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H){1|I<1>,2|O<1>,3|C<3>,5|H<1>}	H(C[6]C[5,5,6]C[6])	118.1975	0.293	2	118.1975	0.086	2	117.7897	0.542	3	118.3012	0.905	6	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5,5]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]S[5])(C[5]C[6a]C[5])(C[6]C[6]H)	H(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]S[5])(C[5]C[6a]C[5])(C[6]C[6]H){1|I<1>,2|O<1>,4|C<3>,6|H<1>}	H(C[6]C[5,5,6]C[6])	117.6960	0.000	1	117.6960	0.000	1	118.8127	0.935	3	118.3012	0.905	6	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5,5]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H)	C[5,5,6](C[5,6]C[6]S[5]H)(N[5,5]B[5]C[5])(C[5]N[5]S)(C[6]C[6]H)	H(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,1|S<2>,2|C<3>}	C[5,5,6](C[5,6]C[6]S[5]H)(N[5,5]B[5]C[5])(C[5]N[5]S)(C[6]C[6]H){2|H<1>,5|C<3>}	H(C[6]C[5,5,6]C[6])	119.3710	0.001	2	119.3710	0.000	2	118.8127	0.935	3	118.3012	0.905	6	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	4:3:4:3:	3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]H)	H(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	H(C[6]C[5,5,6]C[6])	118.2385	0.292	2	118.2385	0.085	2	118.2385	0.085	2	118.7913	0.929	6	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	4:3:4:3:	3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]Br)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6,6]O)(C[5]C[5]HH)(C[6]C[6]H)	H(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]Br)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6,6]O)(C[5]C[5]HH)(C[6]C[6]H){1|Br<1>,2|C<4>,6|H<1>}	H(C[6]C[5,5,6]C[6])	119.9710	0.000	1	119.9710	0.000	1	119.9535	0.001	2	118.7913	0.929	6	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	4:3:4:3:	3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]H)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6,6]O)(C[5]C[5]HH)(C[6]C[6]H)	H(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]H)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6,6]O)(C[5]C[5]HH)(C[6]C[6]H){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,5,6]C[6])	119.9360	0.000	1	119.9360	0.000	1	119.9535	0.001	2	118.7913	0.929	6	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	4:3:4:3:	3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]C)(H)	C[5,5,6](C[5,6]C[5]C[6]O)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]H)	H(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]O)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	H(C[6]C[5,5,6]C[6])	118.6830	0.000	1	118.6830	0.000	1	118.1820	0.502	2	118.7913	0.929	6	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	4:3:4:3:	3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]H)	H(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]H){1|O<1>,2|C<3>,8|H<1>}	H(C[6]C[5,5,6]C[6])	117.6810	0.000	1	117.6810	0.000	1	118.1820	0.502	2	118.7913	0.929	6	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	4:4:2:3:	3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:O[5]-2:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5,6]C[5,5]O[5])(C[6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(C[6]C[6]H)	H(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5,6]C[5,5]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(C[6]C[6]H){1|O<1>,2|O<2>,3|C<4>,6|H<1>}	H(C[6]C[5,5,6]C[6])	119.9958	0.294	4	119.9958	0.087	4	119.9958	0.087	4	120.1006	0.120	5	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	4:4:2:3:	3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[6]C[6]H)(H)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]H)	H(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[5,5,6]C[6])	120.5200	0.000	1	120.5200	0.000	1	120.5200	0.000	1	120.1006	0.120	5	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]C)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(C[6]C[6]H)(H)	H(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]C)(H){1|H<1>,2|O<2>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(C[6]C[6]H)(H){3|C<4>,4|H<1>}	H(C[6]C[5,5,6]C[6])	118.6940	0.000	1	118.6940	0.000	1	118.6940	0.000	1	118.6940	0.000	1	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	4:4:3:2:	3:	C[5,5,6]-4:C[6]-3:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[6]C[6]C)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)	H(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(OH){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[6]C[5,5,6]C[6])	112.2950	0.000	1	112.2950	0.000	1	112.2950	0.000	1	118.8602	12.336	6	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	4:4:3:2:	3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]H)(O[5]C[5])	H(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	H(C[6]C[5,5,6]C[6])	120.7595	0.030	2	120.9460	0.105	3	120.9460	0.105	3	118.8602	12.336	6	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	4:4:3:2:	3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]H)(O[5]C[5])	H(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]H)(O[5]C[5]){1|O<1>,1|S<4>,4|H<1>,5|C<4>}	H(C[6]C[5,5,6]C[6])	121.3190	0.000	1	120.9460	0.105	3	120.9460	0.105	3	118.8602	12.336	6	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	4:4:3:2:	3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[3x5]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,5,6]C[3x5]C[5,6]O[5])(C[6]C[5,6]C)(H)	C[5,5,6](C[5,6]C[6]O[5]H)(C[3x5]C[5,5]2O)(C[6]C[6]H)(O[5]C[5])	H(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[3x5]C[5,6]O[5])(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[5,5,6](C[5,6]C[6]O[5]H)(C[3x5]C[5,5]2O)(C[6]C[6]H)(O[5]C[5]){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,5,6]C[6])	117.3910	0.000	1	117.3910	0.000	1	117.3910	0.000	1	118.8602	12.336	6	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	4:4:3:2:	3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[6]H)(H)	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]2H)(C[6]C[6]H)(O[5]C[5])	H(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]2H)(C[6]C[6]H)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,5,6]C[6])	120.6370	0.000	1	120.6370	0.000	1	120.6370	0.000	1	118.8602	12.336	6	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6,6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6,6]C[5,6]2C[6])(C[6]C[5,6]H)(CHO)	H(C[6]C[5,5,6]C[5,6])	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5])(H){3|H<1>,8|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6,6]C[5,6]2C[6])(C[6]C[5,6]H)(CHO){2|O<2>,4|C<4>,6|H<1>}	H(C[6]C[5,5,6]C[5,6])	121.0820	0.000	1	121.0820	0.000	1	121.0820	0.000	1	118.8495	2.259	4	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,5,6]-4:C[6]-3:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[3x5,6]2C[6])(C[6]C[6]H)(H)	C[5,5,6](C[3x5,6]C[5,5,6]2C[6a])(C[3x5,6]C[5,5,6]2Cl)(C[6]C[6]H)2	H(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[3x5,6]2C[6])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6]2C[6a])(C[3x5,6]C[5,5,6]2Cl)(C[6]C[6]H)2{3|C<3>,4|C<4>,6|H<1>}	H(C[6]C[5,5,6]C[6])	117.9745	0.170	2	117.9745	0.029	2	117.9745	0.029	2	118.8495	2.259	4	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5,6]C[5,5]N[5])(C[6]C[6,6a]H)(H)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5,5]C[5]2N[5])(C[6]C[6]H)(N[5]C[5]C)	H(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5,6]C[5,5]N[5])(C[6]C[6,6a]H)(H){1|N<3>,3|C<3>,5|C<4>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5,5]C[5]2N[5])(C[6]C[6]H)(N[5]C[5]C){10|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[5,5,6]C[6])	118.3670	0.000	1	118.3670	0.000	1	118.3670	0.000	1	118.8495	2.259	4	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	4:4:4:3:	3:	C[5,5,6]-4:C[6]-3:H-1:	C[3x5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[3x5,6]C[5]2)(C[6]C[6]H)(H)	C[5,5,6](C[3x5,6]C[5,5,6]N[5,6]O[5])(C[5]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]H)	H(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[3x5,6]C[5]2)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]N[5,6]O[5])(C[5]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,5,6]C[6])	118.2455	0.243	2	118.2455	0.059	2	118.2455	0.059	2	118.9010	1.318	3	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,5,6]	H	4:3:1:	4:4:4:3:	3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]C)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(C[6]C[6]H)	H(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(C[6]C[6]H){1|Si<4>,1|O<2>,3|C<4>}	H(C[6]C[5,5,6]C[6])	120.2120	0.000	1	120.2120	0.000	1	120.2120	0.000	1	118.9010	1.318	3	118.9988	2.842	34	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	3:2:4:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	N[5,6]-3:O[6,6]-2:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]N[5,6]O[6,6]C[5])(C[6]C[6]H)(H)	C[5,6,6](N[5,6]C[6,6a]C[5])(O[6,6]C[3x6])(C[5]C[5]HH)(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]N[5,6]O[6,6]C[5])(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](N[5,6]C[6,6a]C[5])(O[6,6]C[3x6])(C[5]C[5]HH)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6])	118.8660	0.000	1	118.8660	0.000	1	118.8660	0.000	1	118.8660	0.000	1	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[6,6]-3:N[5,6]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6,6](C[6,6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|O<1>,5|C<3>}	C[5,6,6](C[6,6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Br<1>,1|O<1>,4|H<1>,5|C<3>}	H(C[6]C[5,6,6]C[6])	119.0360	0.000	1	119.0360	0.000	1	119.0360	0.000	1	119.1005	0.008	2	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-3:N[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]H)(H){1|O<1>,3|C<3>,3|C<4>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,3|C<3>,9|H<1>}	H(C[6]C[5,6,6]C[6])	119.1650	0.000	1	119.1650	0.000	1	119.1650	0.000	1	119.1005	0.008	2	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	3:3:4:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[6,6,6a]-3:C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[6,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]H)(H)	C[5,6,6](C[6,6,6a]C[6,6a,6a]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[6,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H){3|H<1>,6|C<3>}	H(C[6]C[5,6,6]C[6])	119.1710	0.000	1	119.1710	0.000	1	119.1710	0.000	1	118.5935	0.667	2	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	3:3:4:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6,6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2H)(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,6,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2H)(C[6]C[6]H){1|C<4>,1|I<1>,1|O<1>,4|C<3>,6|H<1>}	H(C[6]C[5,6,6]C[6])	118.0160	0.000	1	118.0160	0.000	1	118.0160	0.000	1	118.5935	0.667	2	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6,6]-4:C[6,6a]-3:H-1:	N[5,6,6]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](N[5,6,6]C[6,6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]H)(H)	H(C[6]C[5,6,6]C[6,6a])	C[6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6,6](N[5,6,6]C[6,6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]H)(H){1|O<2>,1|S<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6,6]C[6,6a])	119.2690	0.000	1	119.2690	0.000	1	119.2690	0.000	1	119.2690	0.000	1	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	3:4:3:2:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-3:C[6]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6])	118.5250	0.000	1	118.5250	0.000	1	118.5250	0.000	1	118.5250	0.000	1	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	3:4:3:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5a,6]C[5,6]N[5,6])(C[6]C[6]C)(H)	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5a,6]C[5,6]N[5,6])(C[6]C[6]C)(H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[5,6,6]C[6])	119.0860	0.000	1	119.0860	0.000	1	119.0860	0.000	1	117.9807	6.734	3	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	3:4:3:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[5,6,6]C[6])	115.0160	0.000	1	115.0160	0.000	1	115.0160	0.000	1	117.9807	6.734	3	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	3:4:3:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	N[5,6,6]-3:C[5,6]-4:C[6]-3:N[6]-3:	C[6]-3:	C[6](C[5,6,6]N[5,6,6]C[5,6]N[6])(C[6]C[6]H)(H)	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]N[5,6,6]C[5,6]N[6])(C[6]C[6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[5,6,6]C[6])	119.8400	0.000	1	119.8400	0.000	1	119.8400	0.000	1	117.9807	6.734	3	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	3:4:4:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6,6]C[6])	117.2650	0.000	1	117.2650	0.000	1	117.0300	2.127	4	117.0300	2.127	4	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	3:4:4:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[5,6,6]C[6])	117.9770	0.024	2	116.9517	3.154	3	117.0300	2.127	4	117.0300	2.127	4	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	3:4:4:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H){1|N<4>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[5,6,6]C[6])	114.9010	0.000	1	116.9517	3.154	3	117.0300	2.127	4	117.0300	2.127	4	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:2:3:1:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:S[5,6]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]S[5,6]H)(C[6]C[6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(S[5,6]C[5,5,6,6])(C[6]C[6]H)(H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6,6]S[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(S[5,6]C[5,5,6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[5,6,6]C[6])	118.4970	0.102	2	118.4970	0.010	2	118.4970	0.010	2	118.4970	0.010	2	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:2:3:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6])	118.6685	0.120	2	118.2642	0.487	6	118.2642	0.487	6	118.2642	0.487	6	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:2:3:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6])	117.6530	0.399	2	118.2642	0.487	6	118.2642	0.487	6	118.2642	0.487	6	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:2:3:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2{1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6])	118.4710	1.049	2	118.2642	0.487	6	118.2642	0.487	6	118.2642	0.487	6	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:2:4:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]H)(H)	C[5,6,6](C[5,6]C[5,5]C[6]O)(O[5,6]C[5,5,6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,5]C[6]O)(O[5,6]C[5,5,6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6])	119.5740	0.000	1	119.5740	0.000	1	120.0713	0.069	7	120.0713	0.069	7	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:2:4:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]H)(H)	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]H)(H){2|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,8|H<1>}	H(C[6]C[5,6,6]C[6])	120.0520	0.000	1	120.1870	0.036	2	120.0713	0.069	7	120.0713	0.069	7	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:2:4:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]H)(H)	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]H)(H){2|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|O<2>,9|H<1>}	H(C[6]C[5,6,6]C[6])	120.3220	0.000	1	120.1870	0.036	2	120.0713	0.069	7	120.0713	0.069	7	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:2:4:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]H)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]H)(H){2|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<2>,8|H<1>}	H(C[6]C[5,6,6]C[6])	120.1377	0.171	4	120.1377	0.029	4	120.0713	0.069	7	120.0713	0.069	7	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:N[5,5,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]N[5,5,6]H)(C[6]N[5a,6]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5a,6]H)(N[5,5,6]C[5,6]S[5,5])(C[6]C[6]H)(H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6,6]N[5,5,6]H)(C[6]N[5a,6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<4>,2|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5a,6]H)(N[5,5,6]C[5,6]S[5,5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(C[6]C[5,6,6]C[6])	118.2945	0.272	2	118.2945	0.074	2	118.2945	0.074	2	118.2945	0.074	2	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:3:3:2:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[3,6]H)(H)	C[5,6,6](C[5,6,6]C[3,6]2O[5])(C[6]C[6]H)2(O[5]C[5])	H(C[6]C[5,6,6]C[6])	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>}	C[5,6,6](C[5,6,6]C[3,6]2O[5])(C[6]C[6]H)2(O[5]C[5]){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5,6,6]C[6])	117.9020	0.307	2	117.9020	0.094	2	118.4502	0.460	4	118.4502	0.460	4	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:3:3:2:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H)	C[5,6,6](C[5,6,6]C[6]2O[5])(C[6]C[6]H)2(O[5]C[5])	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H){1|O<2>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[6]2O[5])(C[6]C[6]H)2(O[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[5,6,6]C[6])	118.9985	0.291	2	118.9985	0.084	2	118.4502	0.460	4	118.4502	0.460	4	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]H)(H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]H){1|C<4>,3|C<3>,6|H<1>}	H(C[6]C[5,6,6]C[6])	117.9000	0.000	1	117.9000	0.000	1	117.9000	0.000	1	117.3873	6.548	3	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]Cl)(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]Cl)(C[6]C[6]H){1|Cl<1>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[5,6,6]C[6])	114.6110	0.000	1	114.6110	0.000	1	114.6110	0.000	1	117.3873	6.548	3	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[5,6,6]C[6])	119.6510	0.000	1	119.6510	0.000	1	119.6510	0.000	1	117.3873	6.548	3	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:3:3:4:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[5,6,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]H)(CH3)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6])	117.0870	0.000	1	117.0870	0.000	1	117.0870	0.000	1	117.0870	0.000	1	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:3:4:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]H)(H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]H)(H){1|N<4>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]H){2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[5,6,6]C[6])	115.4630	1.522	2	115.4630	2.316	2	115.4630	2.316	2	117.3362	3.787	5	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:3:4:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,2|N<3>,8|H<1>}	H(C[6]C[5,6,6]C[6])	117.9830	0.000	1	117.9830	0.000	1	118.5850	0.568	3	117.3362	3.787	5	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:3:4:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6,6]C[6])	118.3420	0.000	1	118.3420	0.000	1	118.5850	0.568	3	117.3362	3.787	5	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:3:4:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]O)(H)	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6,6]C[6])	119.4300	0.000	1	119.4300	0.000	1	118.5850	0.568	3	117.3362	3.787	5	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:4:2:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[6]-4:O[5]-2:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,3x6]C[6]O[5])(C[6]O[6]H)(H)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5,6])(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,3x6]C[6]O[5])(C[6]O[6]H)(H){2|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5,6])(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,8|H<1>}	H(C[6]C[5,6,6]C[6])	119.0860	0.000	1	119.0860	0.000	1	119.0860	0.000	1	118.1850	1.624	2	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:4:2:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6a])(C[6]C[6]H){2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6])	117.2840	0.000	1	117.2840	0.000	1	117.2840	0.000	1	118.1850	1.624	2	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:Br-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]Br)(C[6]C[6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]O[5,6]O[6,6]H)(C[6]C[6]H)(Br)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]Br)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]O[5,6]O[6,6]H)(C[6]C[6]H)(Br){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6])	118.8990	0.000	1	118.8990	0.000	1	118.8990	0.000	1	118.3303	0.371	6	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,5]C[6,6]O[5,6])(C[5,6]C[5,5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6]H)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5]C[6,6]O[5,6])(C[5,6]C[5,5,6]HH)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6])	117.4600	0.000	1	117.4600	0.000	1	117.4600	0.000	1	118.3303	0.371	6	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]Br)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]Br)(H){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[5,6,6]C[6])	118.8250	0.093	2	118.8250	0.009	2	118.5933	0.165	3	118.3303	0.371	6	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[5,6,6]C[6])	118.1300	0.000	1	118.1300	0.000	1	118.5933	0.165	3	118.3303	0.371	6	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6]-3:H-1:	P[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]P[5,5,6]H)(C[6]C[5,6]H)(H)	C[5,6,6](P[5,5,6]C[5,6,6a]O[5,5]Mo)(C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6,6]P[5,5,6]H)(C[6]C[5,6]H)(H){1|Mo<6>,1|C<4>,1|O<2>,1|P<4>,2|C<3>,2|H<1>}	C[5,6,6](P[5,5,6]C[5,6,6a]O[5,5]Mo)(C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6,6]C[6])	117.8430	0.000	1	117.8430	0.000	1	117.8430	0.000	1	118.3303	0.371	6	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:4:3:2:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:O[6]-2:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]H)(H)	C[5,6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)(O[6]C[6])	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)(O[6]C[6]){3|C<3>,9|H<1>}	H(C[6]C[5,6,6]C[6])	117.9870	0.000	1	117.9870	0.000	1	117.9870	0.000	1	118.1487	0.126	6	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:4:3:2:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5])	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5]){1|O<1>,4|H<1>,7|C<4>}	H(C[6]C[5,6,6]C[6])	117.9870	0.000	1	117.9380	0.005	2	117.9380	0.005	2	118.1487	0.126	6	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:4:3:2:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5])	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5]){1|O<1>,5|H<1>,6|C<4>}	H(C[6]C[5,6,6]C[6])	117.8890	0.000	1	117.9380	0.005	2	117.9380	0.005	2	118.1487	0.126	6	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:4:3:2:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5]){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6])	117.9230	0.000	1	117.9230	0.000	1	118.3430	0.199	3	118.1487	0.126	6	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:4:3:2:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5])	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5]){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6])	118.2940	0.000	1	118.2940	0.000	1	118.3430	0.199	3	118.1487	0.126	6	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:4:3:2:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5])	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5]){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6])	118.8120	0.000	1	118.8120	0.000	1	118.3430	0.199	3	118.1487	0.126	6	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[5,6,6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[3,5,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[5,6,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]H)2	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[3,5,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,6,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[5,6,6]C[6])	117.7650	0.395	2	117.7650	0.156	2	117.7650	0.156	2	117.7650	0.156	2	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:4:4:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]H)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]H){2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6])	120.0800	0.549	2	120.0800	0.301	2	120.0800	0.301	2	119.5634	1.836	7	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:4:4:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]H)(H){1|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]C[6]H){4|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6])	120.5090	0.000	1	120.5090	0.000	1	120.0503	0.116	4	119.5634	1.836	7	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:4:4:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]CH)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]CH)(C[6]C[6]HO)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6])	119.9315	0.248	2	119.9315	0.062	2	120.0503	0.116	4	119.5634	1.836	7	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:4:4:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6])	119.8290	0.000	1	119.8290	0.000	1	120.0503	0.116	4	119.5634	1.836	7	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:3:1:	4:4:4:3:	3:	C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(N[6]C[6]C)(H)	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]H)	H(C[6]C[5,6,6]N[6])	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(N[6]C[6]C)(H){2|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[5,6,6]N[6])	116.5830	0.000	1	116.5830	0.000	1	116.5830	0.000	1	119.5634	1.836	7	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	H	4:4:1:	4:3:4:3:	3:	C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[6]C[5,6,6]C[6])	121.8250	0.000	1	121.8250	0.000	1	121.8250	0.000	1	121.8250	0.000	1	118.4860	1.950	68	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	3:4:1:	3:4:3:3:	3:	C[5,6]-3:C[5,6]-4:H-1:	C[6]-3:C[5]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[5]2C[6])(H)	C[5,6](C[6]C[5,6]H)(C[5]O[5]HH)(C[5]Si[5]C)(C[6]O[6]O)	H(C[6]C[5,6]2)	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[5]2C[6])(H){1|Si<4>,1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[6]C[5,6]H)(C[5]O[5]HH)(C[5]Si[5]C)(C[6]O[6]O){4|C<4>}	H(C[6]C[5,6]2)	120.0590	0.000	1	120.0590	0.000	1	120.0590	0.000	1	110.6780	176.006	2	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	3:4:1:	3:4:3:3:	3:	C[5a,6]-3:C[5,6]-4:H-1:	C[6]-3:C[5]-4:C[5]-3:N[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2N[6])(H)	C[5,6](C[6]C[5a,6]H)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C)	H(C[6]C[5a,6]C[5,6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2N[6])(H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[6]C[5a,6]H)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[5,6])	101.2970	0.000	1	101.2970	0.000	1	101.2970	0.000	1	110.6780	176.006	2	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	3:4:1:	4:3:2:4:	3:	C[6,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]O[5]C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]H)(O[5]C[5])(CH3)	H(C[6]C[5,6]C[6,6])	C[6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]O[5]C)(H){2|C<3>,7|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6,6])	117.3580	0.000	1	117.3580	0.000	1	117.3580	0.000	1	117.3580	0.000	1	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	3:4:1:	4:3:3:1:	3:	C[5,6]-3:C[5,6]-4:H-1:	B[5]-4:C[5,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]B[5]H)(H)	C[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[5,6]H)(H)	H(C[6]C[5,6]2)	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]B[5]H)(H){1|B<4>,1|H<1>,7|C<3>}	C[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,7|C<3>}	H(C[6]C[5,6]2)	117.0430	0.000	1	117.0430	0.000	1	117.0430	0.000	1	117.0430	0.000	1	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	3:4:1:	4:3:4:1:	3:	C[6,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]HH)(H)	H(C[6]C[5,6]C[6,6])	C[6](C[6,6]C[6,6a]C[6,6])(C[5,6]C[5,6]C[5]H)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6,6])	118.4867	0.907	3	118.4867	0.823	3	118.4867	0.823	3	118.4867	0.823	3	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	3:4:1:	4:4:3:3:	3:	C[5,6]-3:C[5,6]-4:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]O[5])(C[5,6]C[5]2C[6])(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]H)(C[6]C[6]O)	H(C[6]C[5,6]2)	C[6](C[5,6]C[5,6]O[5])(C[5,6]C[5]2C[6])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]H)(C[6]C[6]O){1|H<1>,1|O<2>,7|C<3>}	H(C[6]C[5,6]2)	120.7070	0.000	1	120.7070	0.000	1	120.7070	0.000	1	120.7070	0.000	1	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:2:1:	4:3:2:3:	3:	C[5,6]-4:N[6]-2:H-1:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(H)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H)	H(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(H){3|C<4>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H){4|C<3>}	H(C[6]C[5,6]N[6])	115.3034	2.159	9	115.3034	4.663	9	115.3034	4.663	9	115.3034	4.663	9	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	2:2:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	O[5]-2:S[5]-2:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(H)	C[5,6](O[5]C[5,6a])(S[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6](O[5]C[5,6a])(S[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6])	118.1665	0.357	2	118.1665	0.128	2	118.1665	0.128	2	118.1665	0.128	2	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	2:3:2:1:	3:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H){2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	120.0630	0.000	1	119.8760	0.026	3	119.8760	0.026	3	119.8760	0.026	3	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	2:3:2:1:	3:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H){2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	119.7825	0.008	2	119.8760	0.026	3	119.8760	0.026	3	119.8760	0.026	3	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	2:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]C)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]C)(C[6]C[6]H)(H){1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	120.8830	0.000	1	120.8830	0.000	1	120.8830	0.000	1	120.8830	0.000	1	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	2:3:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[5]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[5,6]C)(H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]C)(C[6]C[6]H)(OH)	H(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]C)(C[6]C[6]H)(OH){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6])	119.6330	0.035	2	119.6330	0.001	2	119.6330	0.001	2	119.6330	0.001	2	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	2:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[4,6]H)(H)	C[5,6](O[5,6]C[4,5,5,6])(C[5]C[4,5,5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[4,6]H)(H){3|C<4>,3|H<1>}	C[5,6](O[5,6]C[4,5,5,6])(C[5]C[4,5,5]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6])	120.4900	0.000	1	120.4900	0.000	1	120.0306	0.065	9	120.0306	0.065	9	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	2:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H){2|C<4>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6])	119.9145	0.094	2	119.9145	0.009	2	120.0306	0.065	9	120.0306	0.065	9	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	2:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6])	120.2870	0.000	1	120.0080	0.071	3	120.0306	0.065	9	120.0306	0.065	9	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	2:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6])	119.9790	0.000	1	120.0080	0.071	3	120.0306	0.065	9	120.0306	0.065	9	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	2:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6])	119.7580	0.000	1	120.0080	0.071	3	120.0306	0.065	9	120.0306	0.065	9	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	2:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6])	120.2430	0.000	1	120.2430	0.000	1	120.0306	0.065	9	120.0306	0.065	9	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	2:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6])	119.8445	0.115	2	119.8445	0.013	2	120.0306	0.065	9	120.0306	0.065	9	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	2:4:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[5,5]-4:C[6]-3:C-2:	C[6]-3:	C[6](C[5,6]C[5,5]O[5,6]C)(C[6]C[6]H)(H)	C[5,6](O[5,6]C[5,6])(C[5,5]C[5]3)(C[6]C[6]H)(CC)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]O[5,6]C)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[5,5]C[5]3)(C[6]C[6]H)(CC){1|C<3>,1|C<4>,1|O<1>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6])	120.2380	0.025	2	120.2380	0.001	2	120.2380	0.001	2	120.2380	0.001	2	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	2:4:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	O[5,6]-2:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(CHHO)	H(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6])	119.7750	0.000	1	119.7750	0.000	1	119.7750	0.000	1	119.7750	0.000	1	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:2:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:O[6]-2:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)(O[5]C[5])	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]H)(H){1|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)(O[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6])	119.2253	0.264	3	119.2253	0.070	3	119.2253	0.070	3	119.2253	0.070	3	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:2:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H){1|O<2>,2|O<1>,3|C<3>}	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]C[6])	119.3480	0.000	1	119.3480	0.000	1	119.3480	0.000	1	119.3480	0.000	1	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:2:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:O[5,6]-2:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6a]O[5,6]C)(C[6]C[6a]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]O[5,6]C)(C[6]C[6a]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6])	121.1950	0.000	1	121.1950	0.000	1	121.1950	0.000	1	119.7267	1.762	3	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:2:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:O[5,6]-2:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN)	H(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	119.3730	0.000	1	118.9925	0.290	2	118.9925	0.290	2	119.7267	1.762	3	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:2:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:O[5,6]-2:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN)	H(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN){3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	118.6120	0.000	1	118.9925	0.290	2	118.9925	0.290	2	119.7267	1.762	3	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:2:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O[5]-2:O[5]-2:	C[6]-3:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]C[6a])(H)	C[5,6](C[6]C[6a]C[6])(C[6]C[6]H)(O[5]C[5])2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]C[6a])(H){2|C<4>,2|O<2>,4|C<3>}	C[5,6](C[6]C[6a]C[6])(C[6]C[6]H)(O[5]C[5])2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[5,6]C[6])	117.1580	0.250	2	117.1580	0.063	2	116.7552	1.628	4	117.2238	1.580	6	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:2:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O[5]-2:O[5]-2:	C[6]-3:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(H)	C[5,6](C[6]C[6]H)2(O[5]C[5])2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[6]C[6]H)2(O[5]C[5])2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6])	116.3525	2.043	2	116.3525	4.173	2	116.7552	1.628	4	117.2238	1.580	6	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:2:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:S[5]-2:S[5]-2:	C[6]-3:	C[6](C[5,6]C[6]S[5]2)(C[6]C[4,6]H)(H)	C[5,6](C[6]C[4,6]O)(C[6]C[6]H)(S[5]C[5])2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[6]S[5]2)(C[6]C[4,6]H)(H){1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6]C[4,6]O)(C[6]C[6]H)(S[5]C[5])2{2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6])	118.1610	0.618	2	118.1610	0.382	2	118.1610	0.382	2	117.2238	1.580	6	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:2:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6a]-3:O[6]-2:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]2O[6])(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H){3|H<1>,6|C<3>}	H(C[6]C[5,6]C[6])	117.3775	0.975	2	117.3775	0.951	2	117.3775	0.951	2	117.3775	0.951	2	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:2:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(O[5]P[5])(CC3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>,1|P<4>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(O[5]P[5])(CC3){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6])	119.9640	0.000	1	119.9640	0.000	1	119.9640	0.000	1	119.9640	0.000	1	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H){2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6])	119.2190	0.000	1	119.2190	0.000	1	119.2190	0.000	1	119.2190	0.000	1	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:2:	3:	C[5,6]-4:C[5,6]-3:H-1:	N[5,5,6]-3:C[6]-3:C[6a]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]N[5,5,6]C[6a]O[5])(C[5,6]C[5,6]C[5])(H)	C[5,6](N[5,5,6]C[5,5]N[5,6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[6]C[5,6]2)	C[6](C[5,6]N[5,5,6]C[6a]O[5])(C[5,6]C[5,6]C[5])(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,5,6]C[5,5]N[5,6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6]2)	119.2930	0.000	1	119.2930	0.000	1	119.2930	0.000	1	118.5847	0.130	40	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:2:	3:	C[5,6]-4:C[5,6]-3:H-1:	N[5,6]-3:C[6]-3:C[6a]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]N[5,6]C[6a]O[5])(C[5,6]C[5,6]C[5])(H)	C[5,6](N[5,6]C[5]N[6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[6]C[5,6]2)	C[6](C[5,6]N[5,6]C[6a]O[5])(C[5,6]C[5,6]C[5])(H){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](N[5,6]C[5]N[6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]2)	119.3610	0.000	1	119.3610	0.000	1	119.3610	0.000	1	118.5847	0.130	40	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:N[5]-2:	C[6]-3:	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(N[5]C[5])	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]C[6]H)(H){1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(N[5]C[5]){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[5,6]C[6])	117.8220	0.000	2	117.8220	0.000	2	117.8580	0.002	4	118.5847	0.130	40	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:N[5]-2:	C[6]-3:	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(N[5]C[5])	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]C[6]H)(H){1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(N[5]C[5]){2|H<1>,7|C<3>}	H(C[6]C[5,6]C[6])	117.8940	0.000	2	117.8940	0.000	2	117.8580	0.002	4	118.5847	0.130	40	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6]-3:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)2(O[5]C[5])	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)2(O[5]C[5]){1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	118.9470	0.117	4	118.9470	0.014	4	118.9470	0.014	4	118.5847	0.130	40	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5])	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6])	118.6460	0.171	2	118.6460	0.029	2	118.6372	0.022	5	118.5847	0.130	40	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]N[5]O)(C[6]C[6]C)(C[6]C[6]H)(N[5]C[5])	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5,6](C[5]N[5]O)(C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]){2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6])	118.7680	0.000	1	118.7680	0.000	1	118.6372	0.022	5	118.5847	0.130	40	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]N[5]O)(C[6]C[6]H)2(N[5]C[5])	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6](C[5]N[5]O)(C[6]C[6]H)2(N[5]C[5]){2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6])	118.5630	0.171	2	118.5630	0.029	2	118.6372	0.022	5	118.5847	0.130	40	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(O[5]C[5])	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(O[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6])	118.5947	0.089	6	118.5947	0.008	6	118.5947	0.008	6	118.5847	0.130	40	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:N[5]-2:	C[6]-3:	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]C)(H)	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5])	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6])	118.0870	0.088	2	118.0870	0.008	2	118.5757	0.078	15	118.5847	0.130	40	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:N[5]-2:	C[6]-3:	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H)	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5])	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6])	118.7908	0.051	5	118.6508	0.045	13	118.5757	0.078	15	118.5847	0.130	40	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:N[5]-2:	C[6]-3:	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H)	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5])	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[5,6]C[6])	118.5634	0.229	8	118.6508	0.045	13	118.5757	0.078	15	118.5847	0.130	40	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]H)(H)	C[5,6](C[6]C[6]H)2(N[5]C[5]S)(O[5]C[5])	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|S<4>,2|C<4>}	C[5,6](C[6]C[6]H)2(N[5]C[5]S)(O[5]C[5]){1|C<3>,6|H<1>}	H(C[6]C[5,6]C[6])	118.4920	0.035	2	118.4920	0.001	2	118.4920	0.001	2	118.5847	0.130	40	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	N[5]-3:C[6]-3:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]H)(H)	C[5,6](N[5]C[5a]C[5])(C[6]C[6]H)2(O[5]C[5])	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](N[5]C[5a]C[5])(C[6]C[6]H)2(O[5]C[5]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[5,6]C[6])	118.5705	0.153	2	118.5705	0.024	2	118.5705	0.024	2	118.5847	0.130	40	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]O[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H)	H(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]O[6])(H){1|H<1>,1|N<2>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6,6])	118.9610	0.000	1	118.9610	0.000	1	118.5980	0.264	2	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]S[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H)	H(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]S[6])(H){1|H<1>,1|N<2>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H){1|N<2>,1|S<2>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6,6])	118.2350	0.000	1	118.2350	0.000	1	118.5980	0.264	2	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5a]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5,5a]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6]C[6]H)2(N[5]C[5]O)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5a]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6]C[6]H)2(N[5]C[5]O){1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	118.4845	0.076	2	118.4845	0.006	2	118.4845	0.006	2	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H)	C[5,6](C[5,5a]C[5,5a]C[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6](C[5,5a]C[5,5a]C[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,1|S<2>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6])	117.8950	0.076	2	117.8950	0.006	2	117.9785	0.015	4	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H)	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|N<2>,2|C<4>,5|C<3>}	H(C[6]C[5,6]C[6])	118.0620	0.106	2	118.0620	0.011	2	117.9785	0.015	4	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]H)(H){1|N<2>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H){4|H<1>,6|C<3>}	H(C[6]C[5,6]C[6])	120.2420	0.000	1	120.2420	0.000	1	120.2420	0.000	1	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(H){7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,3|H<1>,7|C<3>}	H(C[6]C[5,6]C[6])	117.3590	0.000	1	117.3590	0.000	1	117.3700	0.000	2	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(H){1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|O<2>,2|H<1>,8|C<3>}	H(C[6]C[5,6]C[6])	117.3810	0.000	1	117.3810	0.000	1	117.3700	0.000	2	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(C[6]C[6]H)2{3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6])	118.2474	0.343	8	118.2474	0.118	8	118.2744	0.128	14	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[5,6]C[6])	118.5465	0.046	2	118.5465	0.002	2	118.2744	0.128	14	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]N[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a])(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]N[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a])(C[6]C[6]H)2{3|H<1>,6|C<3>}	H(C[6]C[5,6]C[6])	118.5845	0.161	2	118.5845	0.026	2	118.2744	0.128	14	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	117.8005	0.101	2	117.8005	0.010	2	118.2744	0.128	14	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5])(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H){1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5])(C[6]C[6]H){1|S<2>,3|H<1>,7|C<3>}	H(C[6]C[5,6]C[6])	117.9350	0.000	1	117.9350	0.000	1	118.2180	0.074	3	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6])	118.2420	0.000	1	118.3595	0.028	2	118.2180	0.074	3	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6])	118.4770	0.000	1	118.3595	0.028	2	118.2180	0.074	3	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6,6]H)(H){1|H<1>,1|N<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6])	118.4800	0.000	1	118.3525	0.033	2	117.3042	2.788	10	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6,6]H)(H){1|H<1>,1|N<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H){1|N<2>,1|S<2>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6])	118.2250	0.000	1	118.3525	0.033	2	117.3042	2.788	10	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,2|C<4>,5|C<3>}	H(C[6]C[5,6]C[6])	117.0421	1.785	8	117.0421	3.188	8	117.3042	2.788	10	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]H)(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]H)(C[6]C[6]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	117.9635	0.070	2	117.9635	0.005	2	117.9266	1.649	8	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6])	115.0120	0.000	1	116.3005	3.320	2	117.9266	1.649	8	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6])	117.5890	0.000	1	116.3005	3.320	2	117.9266	1.649	8	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	118.6660	0.000	1	118.6660	0.000	1	117.9266	1.649	8	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[5,6]C[6])	119.2230	0.000	1	119.2230	0.000	1	117.9266	1.649	8	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])2(C[6]C[6]H)(C[6]C[6]N)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	C[5,6](C[5]C[6a]C[5])2(C[6]C[6]H)(C[6]C[6]N){2|H<1>,7|C<3>}	H(C[6]C[5,6]C[6])	118.4980	0.218	2	118.4980	0.047	2	117.9266	1.649	8	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	H(C[6]C[5,6]C[6])	119.1965	0.250	4	119.1965	0.062	4	118.8638	0.317	20	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]H)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5]H)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	H(C[6]C[5,6]C[6])	119.6213	0.258	3	119.6213	0.067	3	118.8638	0.317	20	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]Cl)(C[6]C[6]H)(N[5]C[5]C)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]Cl)(C[6]C[6]H)(N[5]C[5]C){1|I<1>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6])	118.1820	0.000	1	118.1820	0.000	1	118.8638	0.317	20	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6])	119.5200	0.218	2	119.5200	0.047	2	118.8638	0.317	20	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6])	118.5080	0.072	2	118.4403	0.040	10	118.8638	0.317	20	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|O<1>,1|P<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6])	118.4048	0.239	4	118.4403	0.040	10	118.8638	0.317	20	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6])	118.6370	0.103	2	118.4403	0.040	10	118.8638	0.317	20	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6])	118.2470	0.098	2	118.4403	0.040	10	118.8638	0.317	20	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[6a]-3:N[5,6]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6])	120.1110	0.000	1	120.1110	0.000	1	120.1110	0.000	1	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6])	118.5905	0.136	4	118.5905	0.019	4	118.5905	0.019	4	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5]N[5]N[6])(C[6]C[6,6a]O)(H)	C[5,6](N[6]C[6,6a]C)(C[5]N[5]O)(C[6]C[6]H)(N[5]C[5]C)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]N[5]N[6])(C[6]C[6,6a]O)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](N[6]C[6,6a]C)(C[5]N[5]O)(C[6]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6])	118.4890	0.000	1	118.4890	0.000	1	118.4890	0.000	1	118.3090	1.015	72	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)(CH3){2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6])	118.9940	0.000	1	118.9940	0.000	1	117.9410	2.218	2	117.8333	1.144	3	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]N)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]N)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6])	116.8880	0.000	1	116.8880	0.000	1	117.9410	2.218	2	117.8333	1.144	3	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[6]C[5,6]C[6])	117.6180	0.000	1	117.6180	0.000	1	117.6180	0.000	1	117.8333	1.144	3	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:4:3:	3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6a]-3:C[6]-3:C[6]-4:C[5]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]N[6,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]H)(C[6]C[6]CH)(C[5]N[5]O)	H(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]N[6,6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6,6])	117.2805	0.165	2	117.2805	0.027	2	117.2805	0.027	2	118.2450	6.834	6	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:4:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6a]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[5,6]HH)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6a]C[6])(H){1|C<4>,4|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[5,6]HH)(C[6]C[6]H){1|C<4>,2|H<1>,7|C<3>}	H(C[6]C[5,6]C[6])	115.1930	0.000	1	115.1930	0.000	1	115.1930	0.000	1	118.2450	6.834	6	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:4:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6]C[6]H){3|H<1>,8|C<3>}	H(C[6]C[5,6]C[6])	118.3425	0.210	2	118.3425	0.044	2	118.3425	0.044	2	118.2450	6.834	6	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:3:4:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5]HH)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5]HH)(C[6]C[6]H){4|H<1>,6|C<3>}	H(C[6]C[5,6]C[6])	123.0310	0.000	1	123.0310	0.000	1	123.0310	0.000	1	118.2450	6.834	6	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:2:3:	3:	C[5,6]-4:C[6]-3:H-1:	N[5]-3:C[5]-4:O[6]-2:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H)	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H){2|C<4>,5|C<3>}	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,6|C<3>}	H(C[6]C[5,6]C[6])	115.3425	0.627	2	115.3425	0.393	2	115.3425	0.393	2	115.3425	0.393	2	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]O[5]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]O[5]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6])	119.5725	0.243	2	119.5725	0.059	2	118.4170	2.109	11	119.0633	3.212	33	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[5,6]C[6])	119.2850	0.000	1	119.2850	0.000	1	118.4170	2.109	11	119.0633	3.212	33	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6])	115.0930	0.000	1	115.0930	0.000	1	118.4170	2.109	11	119.0633	3.212	33	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[5,6]C[6])	118.8345	0.432	2	118.8345	0.187	2	118.4170	2.109	11	119.0633	3.212	33	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H)(H){3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6])	119.0320	0.000	1	119.0320	0.000	1	118.4170	2.109	11	119.0633	3.212	33	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	118.8470	0.000	1	118.8470	0.000	1	118.4170	2.109	11	119.0633	3.212	33	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[5,6]C[6])	118.9590	0.000	1	118.9590	0.000	1	118.4170	2.109	11	119.0633	3.212	33	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6])	116.1450	0.000	1	117.2785	2.570	2	118.4170	2.109	11	119.0633	3.212	33	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|H<1>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6])	118.4120	0.000	1	117.2785	2.570	2	118.4170	2.109	11	119.0633	3.212	33	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:P[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[5,6,6]H)(H)	C[5,6](C[5,6]C[5,6,6]C[5])(P[5]O[5]MoC)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[5,6,6]H)(H){1|Mo<6>,1|C<3>,1|H<1>,1|O<2>,1|P<4>,2|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5])(P[5]O[5]MoC)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6])	118.5620	0.000	1	118.5620	0.000	1	118.5620	0.000	1	119.0633	3.212	33	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H){2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6])	118.6500	0.000	1	118.6500	0.000	1	118.7784	0.396	7	119.0633	3.212	33	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]Br)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]Br)(H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6])	120.0390	0.000	1	120.0390	0.000	1	118.7784	0.396	7	119.0633	3.212	33	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6])	118.5108	0.399	4	118.5108	0.159	4	118.7784	0.396	7	119.0633	3.212	33	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6])	118.7170	0.000	1	118.7170	0.000	1	118.7784	0.396	7	119.0633	3.212	33	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	N[5,5]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]H)(H)	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[6]C[5,6]C[6])	118.5490	0.000	1	118.5490	0.000	1	118.5490	0.000	1	119.0633	3.212	33	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	N[5,6,6]-3:C[5,5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6,6]C[5,5]H)(C[6]C[6,6a]H)(H)	C[5,6](N[5,6,6]C[6,6,6a]C[5,5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]N[5,6,6]C[5,5]H)(C[6]C[6,6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6](N[5,6,6]C[6,6,6a]C[5,5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6])	118.9310	0.000	1	118.9310	0.000	1	118.9310	0.000	1	119.0633	3.212	33	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]H)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CC)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]H)(H){2|C<4>,4|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CC)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6])	115.0800	0.000	1	115.0800	0.000	1	119.9176	5.896	12	119.0633	3.212	33	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]H)(H)	C[5,6](N[5,6]C[6,6a]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](N[5,6]C[6,6a]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H){3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	119.6380	0.277	3	119.6380	0.077	3	119.9176	5.896	12	119.0633	3.212	33	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]C)(H)	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]C)(H){1|N<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6])	123.3820	0.000	3	123.3820	0.000	3	119.9176	5.896	12	119.0633	3.212	33	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6])	119.0210	0.412	2	119.0210	0.169	2	119.9176	5.896	12	119.0633	3.212	33	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]N[6])(C[5]N[5]HO)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]N[6])(C[5]N[5]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6])	118.5360	0.000	1	118.5360	0.000	1	119.9176	5.896	12	119.0633	3.212	33	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]N[6])(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5,6](N[5,6]C[5]N[6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[5,6]C[6])	119.4530	0.000	1	119.4530	0.000	1	119.9176	5.896	12	119.0633	3.212	33	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6])(H)	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,2|C<2>,3|C<3>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	118.8400	0.000	1	118.8400	0.000	1	119.9176	5.896	12	119.0633	3.212	33	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:2:	3:	C[5,6]-4:C[6,6]-3:H-1:	C[6]-3:C[6]-4:N[5]-3:S[5]-2:	C[6]-3:	C[6](C[5,6]C[6]N[5]S[5])(C[6,6]C[6,6]C[6])(H)	C[5,6](C[6]C[6,6]H)(C[6]C[6]HH)(N[5]N[5]C)(S[5]C[5])	H(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[6]N[5]S[5])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6]C[6,6]H)(C[6]C[6]HH)(N[5]N[5]C)(S[5]C[5]){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6,6])	117.8760	0.000	1	117.8760	0.000	1	117.8760	0.000	1	118.1829	0.596	7	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H)(OC)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H)(OC){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6])	118.8630	0.000	1	118.8630	0.000	1	118.8630	0.000	1	118.1829	0.596	7	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(OC)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(OC){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[5,6]C[6])	118.0000	0.000	1	118.0000	0.000	1	118.0000	0.000	1	118.1829	0.596	7	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[6,6]-3:C[5]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]C)(H)	C[5,6](C[6,6]C[6,6]O[6])(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5])	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]O[6])(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6])	117.4600	0.000	1	117.4600	0.000	1	117.4600	0.000	1	118.1829	0.596	7	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[5]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]Br)(H)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5])	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]Br)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5]){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6])	119.6130	0.000	1	119.6130	0.000	1	119.6130	0.000	1	118.1829	0.596	7	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	N[5]-3:C[6]-4:C[6]-3:N[5]-2:	C[6]-3:	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H)	C[5,6](N[5]C[6a]C[5])(C[6]C[6]BrH)(C[6]C[6]H)(N[5]C[5])	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H){2|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5]C[6a]C[5])(C[6]C[6]BrH)(C[6]C[6]H)(N[5]C[5]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	117.7340	0.115	2	117.7340	0.013	2	117.7340	0.013	2	118.1829	0.596	7	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6a]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6a]C[6])(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	H(C[6]C[5,6]C[6])	118.5660	0.605	3	118.5660	0.366	3	118.5660	0.366	3	117.4228	3.509	22	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)(C[6]C[6]H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	114.7120	0.000	1	114.7120	0.000	1	116.7130	7.809	5	117.4228	3.509	22	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	112.8150	0.000	1	112.8150	0.000	1	116.7130	7.809	5	117.4228	3.509	22	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HS)(C[5]N[5]O)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HS)(C[5]N[5]O)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6])	118.2480	0.000	1	118.2480	0.000	1	116.7130	7.809	5	117.4228	3.509	22	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6])	118.6130	0.000	1	118.6130	0.000	1	116.7130	7.809	5	117.4228	3.509	22	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]N[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[5,6]C[6])	119.1770	0.000	1	119.1770	0.000	1	116.7130	7.809	5	117.4228	3.509	22	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[4]C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5]C[4]C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	120.3050	0.000	1	120.3050	0.000	1	117.6774	1.947	9	117.4228	3.509	22	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]H)2{2|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	117.9575	0.491	2	117.9575	0.242	2	117.6774	1.947	9	117.4228	3.509	22	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6])	117.8708	0.176	4	117.8708	0.031	4	117.6774	1.947	9	117.4228	3.509	22	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[5a]C[5])(C[5]C[5]HH)(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5]C[5a]C[5])(C[5]C[5]HH)(C[6]C[6]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6])	115.6970	0.434	2	115.6970	0.188	2	117.6774	1.947	9	117.4228	3.509	22	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-3:C[6]-4:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HO)(C[6]C[6]H)(N[5]C[5]C)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HO)(C[6]C[6]H)(N[5]C[5]C){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6])	119.5110	0.000	1	119.5110	0.000	1	119.5110	0.000	1	117.4228	3.509	22	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[6,6a]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[6,6a]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	H(C[6]C[5,6]C[6])	114.2220	0.000	1	114.2220	0.000	1	114.2220	0.000	1	117.4228	3.509	22	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5]-4:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6]C[6]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]C)(C[6]C[6]H)(N[5]C[5]C)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]C)(C[6]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6])	117.8915	0.308	2	117.8915	0.095	2	117.8915	0.095	2	117.4228	3.509	22	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]N[6])(C[6]C[6]2H)(C[5]N[5]O)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[5,6](N[5,6]C[5]N[6])(C[6]C[6]2H)(C[5]N[5]O)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6])	115.4260	0.000	1	115.4260	0.000	1	115.4260	0.000	1	117.4228	3.509	22	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6]H)(CCHH)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6]H)(CCHH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	116.5330	0.000	1	116.5330	0.000	1	115.1107	14.843	3	115.1107	14.843	3	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]H)(H){1|C<4>,1|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6])	118.0500	0.000	1	118.0500	0.000	1	115.1107	14.843	3	115.1107	14.843	3	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	3:4:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]H)(CCHH)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]H)(CCHH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	110.7490	0.000	1	110.7490	0.000	1	115.1107	14.843	3	115.1107	14.843	3	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:2:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:O[5]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6,6]O[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5]C[5,5,6])(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6,6]O[5]H)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5]C[5,5,6])(C[6]C[6]H)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	118.5060	0.000	1	118.5060	0.000	1	118.5060	0.000	1	118.8761	0.940	9	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:2:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:O[5]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[3x5]O[5,6]H)(O[5]C[5,5])(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]H)(H){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[3x5]O[5,6]H)(O[5]C[5,5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6])	119.4490	0.000	1	119.4490	0.000	1	119.4490	0.000	1	118.8761	0.940	9	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:2:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,5]C[5,5]C[5]O)(O[5,6]C[5,6])(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,5]C[5,5]C[5]O)(O[5,6]C[5,6])(C[6]C[6]H)(H){1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	120.1290	0.000	1	120.1290	0.000	1	120.1290	0.000	1	118.8761	0.940	9	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:2:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H){2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(C[6]C[6]H)(H){2|H<1>,6|C<4>}	H(C[6]C[5,6]C[6])	118.4240	0.000	1	118.4240	0.000	1	118.6335	1.026	6	118.8761	0.940	9	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:2:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,6])(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6])	117.5885	0.276	2	117.5885	0.076	2	118.6335	1.026	6	118.8761	0.940	9	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:2:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6])	119.7900	0.389	2	119.7900	0.151	2	118.6335	1.026	6	118.8761	0.940	9	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:2:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	118.6200	0.000	1	118.6200	0.000	1	118.6335	1.026	6	118.8761	0.940	9	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:2:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:O[5,6]-2:C[6]-3:C-2:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]H)(CN)	H(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]H)(CN){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	120.4460	0.023	2	120.4460	0.001	2	120.4460	0.001	2	119.5660	1.064	4	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:2:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:O[6]-2:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]HH)(O[6]C[4,6])(C[6]C[6]H)(O[5]C[5])	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,3|C<4>}	C[5,6](C[5]C[5]HH)(O[6]C[4,6])(C[6]C[6]H)(O[5]C[5]){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6])	118.6860	0.307	2	118.6860	0.094	2	118.6860	0.094	2	119.5660	1.064	4	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:2:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(H)	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(H){1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|S<2>,3|C<3>}	H(C[6]C[5,6]C[6])	117.5390	0.000	1	117.5390	0.000	1	116.9786	1.682	5	116.9786	1.682	5	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:2:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5,6]CH)(O[5]C[5,6])(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5]C[5,6]CH)(O[5]C[5,6])(C[6]C[6]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[5,6]C[6])	115.6600	0.492	2	115.6600	0.242	2	116.9786	1.682	5	116.9786	1.682	5	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:2:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]HH)(O[5]C[5,5])(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5]C[5]HH)(O[5]C[5,5])(C[6]C[6]H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6])	118.0170	0.734	2	118.0170	0.539	2	116.9786	1.682	5	116.9786	1.682	5	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:2:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,3x6]C[6]H)(O[5]C[5,3x6])(C[6]C[6]H)(CC3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,3x6]C[6]H)(O[5]C[5,3x6])(C[6]C[6]H)(CC3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6])	118.4720	0.000	1	118.4720	0.000	1	117.9454	0.147	5	117.9454	0.147	5	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:2:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[5,6]C[6])	117.5930	0.000	1	117.5930	0.000	1	117.9454	0.147	5	117.9454	0.147	5	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:2:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	117.8070	0.369	2	117.8070	0.136	2	117.9454	0.147	5	117.9454	0.147	5	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:2:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5]C[6]H)(O[5]C[5,5])(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]N[5,5]C[6]H)(O[5]C[5,5])(C[6]C[6]H)(CH3){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	118.0480	0.000	1	118.0480	0.000	1	117.9454	0.147	5	117.9454	0.147	5	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[3x6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]H)(C[3x6]C[4x6]C[6,6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H)	H(C[6]C[3x6]C[5,6])	C[6](C[5,6]C[5,6,6]O[5]H)(C[3x6]C[4x6]C[6,6])(H){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	H(C[6]C[3x6]C[5,6])	118.9645	0.237	2	118.9700	0.028	3	118.9700	0.028	3	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[3x6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]H)(C[3x6]C[4x6]C[6,6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H)	H(C[6]C[3x6]C[5,6])	C[6](C[5,6]C[5,6,6]O[5]H)(C[3x6]C[4x6]C[6,6])(H){3|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[3x6]C[5,6])	118.9810	0.000	1	118.9700	0.028	3	118.9700	0.028	3	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6,6]C[5,6]C[6,6])(H)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	H(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,3x6]O[5]H)(C[6,6]C[5,6]C[6,6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	H(C[6]C[5,6]C[6,6])	118.3140	0.000	1	118.3140	0.000	1	118.2655	0.005	2	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	H(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,3x6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	H(C[6]C[5,6]C[6,6])	118.2170	0.000	1	118.2170	0.000	1	118.2655	0.005	2	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	H(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	H(C[6]C[5,6]C[6,6])	119.4240	0.000	1	119.3876	0.102	10	119.3876	0.102	10	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	H(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	H(C[6]C[5,6]C[6,6])	119.0880	0.287	3	119.3876	0.102	10	119.3876	0.102	10	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	H(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6,6])	119.9810	0.000	1	119.3876	0.102	10	119.3876	0.102	10	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	H(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	H(C[6]C[5,6]C[6,6])	119.5207	0.143	3	119.3876	0.102	10	119.3876	0.102	10	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	H(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	H(C[6]C[5,6]C[6,6])	119.4450	0.000	1	119.3876	0.102	10	119.3876	0.102	10	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	H(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	H(C[6]C[5,6]C[6,6])	119.2000	0.000	1	119.3876	0.102	10	119.3876	0.102	10	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]H)(O[5]C[5])(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(H){2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6])	117.6060	0.000	1	117.6060	0.000	1	117.6060	0.000	1	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:S[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]S[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]H)(S[5]C[5])(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]S[5]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]H)(S[5]C[5])(H){1|B<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	H(C[6]C[5,6]C[6])	120.3665	0.067	2	120.3665	0.005	2	120.3665	0.005	2	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:N[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]H)(N[5]N[5])(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[5,6]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]H)(N[5]N[5])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6])	113.9960	0.000	1	113.9960	0.000	1	113.9960	0.000	1	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,5,6]C)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,5,6]C)(H){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6])	119.0020	0.000	1	119.0020	0.000	1	117.4658	2.390	5	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O[5]N[5])(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O[5]N[5])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6])	117.3660	0.000	1	117.3660	0.000	1	117.4658	2.390	5	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(O[5]O[5])(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H){1|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(O[5]O[5])(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6])	118.0245	0.211	2	118.0245	0.045	2	117.4658	2.390	5	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]N[5])(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6])	114.9120	0.000	1	114.9120	0.000	1	117.4658	2.390	5	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]H)(H)	C[5,6](C[5,6]C[3,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[6]C[5,6]C[6])	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>}	C[5,6](C[5,6]C[3,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,5|C<4>}	H(C[6]C[5,6]C[6])	116.2640	0.838	3	116.2640	0.702	3	118.2611	2.761	15	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]Br)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]Br)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|Br<1>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6])	118.4925	0.234	2	118.4925	0.055	2	118.2611	2.761	15	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6])	121.6800	0.000	1	121.6800	0.000	1	118.2611	2.761	15	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,1|N<3>,4|C<4>}	H(C[6]C[5,6]C[6])	118.9920	0.000	1	117.7440	3.115	2	118.2611	2.761	15	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6])	116.4960	0.000	1	117.7440	3.115	2	118.2611	2.761	15	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<1>,2|F<1>}	H(C[6]C[5,6]C[6])	118.7015	0.052	2	118.7015	0.003	2	118.2611	2.761	15	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5])(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H){1|O<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	120.0910	0.000	1	120.0910	0.000	1	118.2611	2.761	15	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]H)(O[5]C[5])(H){2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6])	119.7820	0.000	1	119.7820	0.000	1	118.2611	2.761	15	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6])	118.9740	0.000	1	118.6145	0.258	2	118.2611	2.761	15	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,2|F<1>}	H(C[6]C[5,6]C[6])	118.2550	0.000	1	118.6145	0.258	2	118.2611	2.761	15	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6])	116.4670	0.000	1	116.4670	0.000	1	118.2611	2.761	15	118.4846	2.423	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OC)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OC){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6])	119.7080	0.000	1	119.7080	0.000	1	119.7080	0.000	1	118.1190	0.626	8	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-2:O-2:	C[6]-3:	C[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(N[5]C[5])(OH)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(N[5]C[5])(OH){1|C<3>,3|C<4>}	H(C[6]C[5,6]C[6])	118.6560	0.000	1	118.6560	0.000	1	118.6560	0.000	1	118.1190	0.626	8	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[5]-2:O[5]-2:	C[6]-3:	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]C)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O[5]C[5])2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O[5]C[5])2{2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[5,6]C[6])	117.3810	0.303	2	117.3810	0.092	2	117.8148	0.185	5	118.1190	0.626	8	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[5]-2:O[5]-2:	C[6]-3:	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]H)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O[5]C[5])2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O[5]C[5])2{1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[5,6]C[6])	118.1040	0.105	3	118.1040	0.011	3	117.8148	0.185	5	118.1190	0.626	8	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O[5]-2:O[5]-2:	C[6]-3:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(H)	C[5,6](C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(H){1|C<2>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])2{2|H<1>,6|C<4>}	H(C[6]C[5,6]C[6])	117.5140	0.000	1	117.5140	0.000	1	117.5140	0.000	1	118.1190	0.626	8	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-3:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(COO)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(COO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6])	118.9720	0.000	1	118.9720	0.000	1	118.9720	0.000	1	117.8155	1.349	38	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6]H)(H)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6])(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6]H)(H){1|N<3>,3|C<3>,3|C<4>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6])(C[6]C[6]H){1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6])	117.5845	1.096	4	117.5845	1.201	4	117.7843	1.349	37	117.8155	1.349	38	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H)	C[5,6](C[5]C[5,6]CC)(N[5]C[5,6]C)(O[6]C[6,6a])(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H){2|C<3>,5|C<4>}	C[5,6](C[5]C[5,6]CC)(N[5]C[5,6]C)(O[6]C[6,6a])(C[6]C[6]H){1|Ru<11>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6])	117.9930	0.663	2	117.9930	0.440	2	117.7843	1.349	37	117.8155	1.349	38	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(H){3|C<4>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6])	117.7966	1.215	31	117.7966	1.475	31	117.7843	1.349	37	117.8155	1.349	38	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[3,5,6]O[5]C)(C[6]C[6]Br)(H)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]H)(O[5]C[5])(CCCH)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[3,5,6]O[5]C)(C[6]C[6]Br)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]H)(O[5]C[5])(CCCH){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6])	120.1850	0.000	1	120.1850	0.000	1	120.1850	0.000	1	117.6710	0.718	31	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]H)(H){1|C<3>,5|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[6]C[6]H)(O[5]C[5])(CH3){1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	118.1110	0.000	1	118.1110	0.000	1	118.1870	0.690	3	117.6710	0.718	31	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6])	117.3970	0.000	1	117.3970	0.000	1	118.1870	0.690	3	117.6710	0.718	31	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]N)(H)	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[6]H)(O[5]N[5])(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]N)(H){1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[6]H)(O[5]N[5])(CH3){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5,6]C[6])	119.0530	0.000	1	119.0530	0.000	1	118.1870	0.690	3	117.6710	0.718	31	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]C[6])	117.7820	0.000	1	118.0125	0.106	2	118.0125	0.106	2	117.6710	0.718	31	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[5,6]C[6])	118.2430	0.000	1	118.0125	0.106	2	118.0125	0.106	2	117.6710	0.718	31	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6])	117.0450	0.000	1	117.0450	0.000	1	117.4812	0.492	25	117.6710	0.718	31	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CF3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CF3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[5,6]C[6])	117.9500	0.000	1	117.9500	0.000	1	117.4812	0.492	25	117.6710	0.718	31	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|Br<1>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6])	117.3520	0.406	2	117.5921	0.219	21	117.4812	0.492	25	117.6710	0.718	31	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[5,6]C[6])	118.3653	0.197	4	117.5921	0.219	21	117.4812	0.492	25	117.6710	0.718	31	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|Cl<1>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6])	117.1800	0.204	5	117.5921	0.219	21	117.4812	0.492	25	117.6710	0.718	31	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	117.5690	0.000	1	117.5921	0.219	21	117.4812	0.492	25	117.6710	0.718	31	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6])	117.5680	0.300	4	117.5921	0.219	21	117.4812	0.492	25	117.6710	0.718	31	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6])	117.2650	0.000	1	117.5921	0.219	21	117.4812	0.492	25	117.6710	0.718	31	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6])	117.5490	0.000	1	117.5921	0.219	21	117.4812	0.492	25	117.6710	0.718	31	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6])	117.3900	0.051	2	117.5921	0.219	21	117.4812	0.492	25	117.6710	0.718	31	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6])	117.9350	0.000	1	117.5921	0.219	21	117.4812	0.492	25	117.6710	0.718	31	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	117.7070	0.000	1	116.3000	3.959	2	117.4812	0.492	25	117.6710	0.718	31	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:2:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6])	114.8930	0.000	1	116.3000	3.959	2	117.4812	0.492	25	117.6710	0.718	31	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[3,5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:	C[6](C[5,6]C[3,5,5,6]N[5]H)(C[6]C[6]H)(H)	C[5,6](C[3,5,5,6]C[3,5,6]C[5,6a]C[3,5])(C[6]C[6]H)(N[5]C[5]C)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[3,5,5,6]N[5]H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[3,5,5,6]C[3,5,6]C[5,6a]C[3,5])(C[6]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6])	120.0670	0.000	1	120.0670	0.000	1	120.0670	0.000	1	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[3x5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]N[5,5]N[5])(C[5]C[5]C)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|N<3>}	C[5,6](C[3x5,6]C[5,5,6]N[5,5]N[5])(C[5]C[5]C)(C[6]C[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	112.8310	0.000	1	112.8310	0.000	1	112.8310	0.000	1	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]C)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6])	119.0000	0.000	1	119.0000	0.000	1	119.0000	0.000	1	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6,6]C)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5]O[5]O)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6,6]C)(H){1|O<1>,2|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5]O[5]O)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6])	118.9630	0.028	2	118.9630	0.001	2	118.9630	0.001	2	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[6]C[6]H)(N[5]C[5]S)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[6]C[6]H)(N[5]C[5]S)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	118.0292	0.593	5	118.0292	0.352	5	118.0292	0.352	5	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6])	119.2500	0.000	1	119.2500	0.000	1	119.0180	0.079	5	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6,6a]H)(H){2|C<4>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	H(C[6]C[5,6]C[6])	118.9620	0.353	3	118.9620	0.125	3	119.0180	0.079	5	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]H)(H){1|C<2>,2|C<4>,3|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	H(C[6]C[5,6]C[6])	118.9540	0.000	1	118.9540	0.000	1	119.0180	0.079	5	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[5,6,6]C[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[5,6,6]C[5])(H){4|C<3>,5|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H){2|C<4>,4|H<1>,5|C<3>}	H(C[6]C[5,6]C[6])	116.8260	0.000	2	116.8260	0.000	2	117.4697	1.243	3	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6,6]H)(H)	C[5,6](C[5,6,6]N[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6,6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,6,6]N[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	118.7570	0.000	1	118.7570	0.000	1	117.4697	1.243	3	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6])	119.6620	0.000	1	119.6620	0.000	1	119.6620	0.000	1	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(N[5]C[5]S)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]H)(H){1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(N[5]C[5]S)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6])	118.9410	0.000	1	118.9410	0.000	1	118.9410	0.000	1	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,4|C<3>}	H(C[6]C[5,6]C[6])	118.8470	0.000	1	118.8470	0.000	1	118.8470	0.000	1	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]C)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]O)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	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>}	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[5,6]C[6])	117.3430	0.000	1	117.3430	0.000	1	118.5659	4.279	17	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a])(H)	C[5,6](C[5,6]C[5,5,6]CC)(C[5]C[6a]C[5])(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a])(H){2|C<4>,6|C<3>}	C[5,6](C[5,6]C[5,5,6]CC)(C[5]C[6a]C[5])(C[6]C[6]H)(H){6|C<3>}	H(C[6]C[5,6]C[6])	117.6640	0.000	1	117.6640	0.000	1	118.5659	4.279	17	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]C)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]C)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6])	118.3280	0.000	1	118.3280	0.000	1	118.5659	4.279	17	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6])	117.1040	0.000	1	117.1040	0.000	1	118.5659	4.279	17	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){2|O<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[5,6]C[6])	117.5270	0.000	1	117.5270	0.000	1	118.5659	4.279	17	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6])	120.3420	0.000	1	120.3420	0.000	1	118.5659	4.279	17	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6])	114.2540	0.000	1	114.2540	0.000	1	118.5659	4.279	17	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]N[5])(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]N[5])(C[6]C[6]H)(H){1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	115.5930	0.000	1	115.5930	0.000	1	118.5659	4.279	17	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]N[5])(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]N[5])(C[6]C[6]H)(H){1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	119.5220	0.000	1	119.5220	0.000	1	118.5659	4.279	17	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6])	120.6735	0.093	2	120.6735	0.009	2	118.5659	4.279	17	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]C)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[6]C[5,6]C[6])	123.2120	0.000	1	123.2120	0.000	1	118.5659	4.279	17	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6])(H){1|C<4>,6|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6])	118.1920	0.175	2	118.1920	0.031	2	118.5659	4.279	17	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6])(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6])	119.1380	0.000	1	119.1380	0.000	1	118.5659	4.279	17	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6])	118.9310	0.061	2	118.9310	0.004	2	118.5659	4.279	17	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[4,6]H)(H)	C[5,6](C[5,6]C[4,6]O[5]H)(C[6]C[6]H)(N[5]C[5]S)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[4,6]H)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[4,6]O[5]H)(C[6]C[6]H)(N[5]C[5]S)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6])	117.5710	0.000	1	117.5710	0.000	1	119.4947	4.095	7	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(N[5]C[5]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(N[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6])	122.3760	0.201	2	122.3760	0.040	2	119.4947	4.095	7	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]C)(H){1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6])	118.6470	0.000	1	118.6470	0.000	1	119.4947	4.095	7	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)(H){1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6])	119.0850	0.000	1	119.0850	0.000	1	119.4947	4.095	7	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]H)(N[5]C[5]C)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]H)(N[5]C[5]C)(H){1|C<4>,2|C<3>,7|H<1>}	H(C[6]C[5,6]C[6])	118.2040	0.069	2	118.2040	0.005	2	119.4947	4.095	7	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[5,6]H)(H)	C[5,6](C[5,6]C[5,5,6]HH)(N[5,6]C[5,6]C[6])(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[5,6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5,6]HH)(N[5,6]C[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6])	119.3370	0.000	1	119.3370	0.000	1	119.3370	0.000	1	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]C)(H)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(N[5]C[5,6a]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]H)(N[5]C[5,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6])	116.7320	0.000	1	116.7320	0.000	1	118.9793	2.291	4	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5]N[6]H)(N[5]C[5,5]C[6a])(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>,2|C<4>}	C[5,6](C[5,6]C[5,5]N[6]H)(N[5]C[5,5]C[6a])(C[6]C[6]H)(H){3|H<1>,5|C<3>}	H(C[6]C[5,6]C[6])	119.5980	0.000	1	119.5980	0.000	1	118.9793	2.291	4	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>,2|C<4>}	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H){2|C<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	119.5540	0.000	1	119.7935	0.115	2	118.9793	2.291	4	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H){2|C<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	120.0330	0.000	1	119.7935	0.115	2	118.9793	2.291	4	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	Si[5,5]-4:C[5,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]Si[5,5]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](Si[5,5]C[5]2O[5])(C[5,6]C[5]C[6])(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]Si[5,5]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](Si[5,5]C[5]2O[5])(C[5,6]C[5]C[6])(C[6]C[6]H)(H){4|Si<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6])	119.7530	0.000	1	119.7530	0.000	1	119.7530	0.000	1	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	Si[5,6]-4:C[5,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]Si[5,6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](Si[5,6]N[5]N[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]Si[5,6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|N<3>}	C[5,6](Si[5,6]N[5]N[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,6|C<3>}	H(C[6]C[5,6]C[6])	117.9370	0.000	1	117.9370	0.000	1	117.9370	0.000	1	118.6528	3.059	52	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(OH)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(OH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6])	119.7460	0.000	1	119.7460	0.000	1	119.7460	0.000	1	118.6924	0.329	10	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]C)(C[6]C[6]H)(O[5]C[5])	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]C)(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	118.1310	0.000	1	118.1310	0.000	1	118.1310	0.000	1	118.6924	0.329	10	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5])	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(H){1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5]){2|Br<1>,3|C<3>}	H(C[6]C[5,6]C[6])	118.9075	0.316	2	118.9075	0.100	2	118.6309	0.214	8	118.6924	0.329	10	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]CC)(C[6]C[6]H)2(O[5]C[5])	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5]C[5]CC)(C[6]C[6]H)2(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6])	118.9495	0.664	2	118.9495	0.441	2	118.6309	0.214	8	118.6924	0.329	10	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5])	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5]){2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6])	118.3045	0.066	2	118.3332	0.083	4	118.6309	0.214	8	118.6924	0.329	10	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5])	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5]){2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6])	118.3620	0.492	2	118.3332	0.083	4	118.6309	0.214	8	118.6924	0.329	10	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[3,5,6]C[6a]N[5])(C[6]C[6]H)(H)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[3,5,6]C[6a]N[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S){4|C<3>,6|H<1>}	H(C[6]C[5,6]C[6])	117.6070	0.000	1	117.6070	0.000	1	117.6070	0.000	1	118.3212	3.773	36	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[6,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]2C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[6,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]2C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,7|C<3>}	H(C[6]C[5,6]C[6])	111.0480	0.000	1	111.0480	0.000	1	111.0480	0.000	1	118.3212	3.773	36	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]2)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[6]N[5])(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]2)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|O<1>,3|C<3>,6|H<1>}	H(C[6]C[5,6]C[6])	118.2160	0.119	2	118.2160	0.014	2	118.2160	0.014	2	118.3212	3.773	36	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(C[6]C[6]H){1|C<4>,1|S<4>,3|C<3>,6|H<1>}	H(C[6]C[5,6]C[6])	115.6000	0.000	1	115.6000	0.000	1	115.6000	0.000	1	118.3212	3.773	36	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[5,6]C[6])	117.8150	0.000	1	117.8150	0.000	1	117.9110	0.019	3	118.3212	3.773	36	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|S<4>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	H(C[6]C[5,6]C[6])	118.0680	0.000	1	117.9590	0.024	2	117.9110	0.019	3	118.3212	3.773	36	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|S<4>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S){1|O<1>,4|C<3>,5|H<1>}	H(C[6]C[5,6]C[6])	117.8500	0.000	1	117.9590	0.024	2	117.9110	0.019	3	118.3212	3.773	36	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|S<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(C[6]C[6]H){5|C<3>,5|H<1>}	H(C[6]C[5,6]C[6])	117.2095	0.299	2	117.2095	0.089	2	117.2095	0.089	2	118.3212	3.773	36	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]H)(H)	C[5,6](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6,6a]O)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]H)(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6])	118.4355	0.074	2	118.4355	0.006	2	119.2951	3.352	16	118.3212	3.773	36	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]C[6]H)2{2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6])	117.1710	0.252	4	117.1710	0.063	4	119.2951	3.352	16	118.3212	3.773	36	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]N[5]HH)(C[5]C[5]C)(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5]N[5]HH)(C[5]C[5]C)(C[6]C[6]H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6])	121.1808	0.168	4	120.1357	2.640	6	119.2951	3.352	16	118.3212	3.773	36	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]N[5]HH)(C[5]C[5]C)(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5]N[5]HH)(C[5]C[5]C)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[5,6]C[6])	118.0455	0.087	2	120.1357	2.640	6	119.2951	3.352	16	118.3212	3.773	36	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]O[5]HH)(C[5]C[5]C)(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5]O[5]HH)(C[5]C[5]C)(C[6]C[6]H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[5,6]C[6])	121.3180	0.140	3	121.3180	0.020	3	119.2951	3.352	16	118.3212	3.773	36	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[5,6](C[5]C[5]HH)(C[5]N[5]O)(C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	C[5,6](C[5]C[5]HH)(C[5]N[5]O)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6])	118.3990	0.000	1	118.3990	0.000	1	119.2951	3.352	16	118.3212	3.773	36	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(N[5]C[5]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(N[5]C[5]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6])	117.6855	0.021	2	117.6855	0.000	2	118.3398	0.242	8	118.3212	3.773	36	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]CH)(C[6]C[6]H)2(N[5]C[5]C)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5]CH)(C[6]C[6]H)2(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6]C[5,6]C[6])	118.8185	0.572	2	118.8185	0.327	2	118.3398	0.242	8	118.3212	3.773	36	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(N[5]C[5]O)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(N[5]C[5]O){3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	118.4125	0.134	2	118.4125	0.018	2	118.3398	0.242	8	118.3212	3.773	36	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]H)2(N[5]C[5]C)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]H)2(N[5]C[5]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	118.4425	0.047	2	118.4425	0.002	2	118.3398	0.242	8	118.3212	3.773	36	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:N[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[6]H)2{2|C<4>,6|C<3>}	H(C[6]C[5,6]C[6])	117.6415	0.098	2	117.6415	0.010	2	117.6415	0.010	2	118.3212	3.773	36	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[3x5,6]C[5,6]C)(C[6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[3x5,6]2C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[3x5,6]C[5,6]C)(C[6]C[5,6]H)(H){1|O<1>,1|O<2>,5|C<4>}	C[5,6](C[3x5,6]C[3x5,6]2C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]H)(CH3){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6])	119.0020	0.000	1	119.0020	0.000	1	119.0020	0.000	1	117.2282	2.217	13	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[6]-3:N[5]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,5,6,6]N[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6,6]N[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,3|C<4>}	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6])	118.0820	0.000	1	118.0820	0.000	1	118.0820	0.000	1	117.2282	2.217	13	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5,6a]C)(C[6]C[6]O)(H)	C[5,6](C[5,5,6]N[5,6]N[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(CC3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5,6a]C)(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|N<3>}	C[5,6](C[5,5,6]N[5,6]N[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(CC3){2|H<1>,2|O<2>,5|C<3>}	H(C[6]C[5,6]C[6])	113.3580	0.000	1	113.3580	0.000	1	113.3580	0.000	1	117.2282	2.217	13	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:N[5]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,5,6]N[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]N[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6])	117.0750	0.000	1	117.0750	0.000	1	117.0750	0.000	1	117.2282	2.217	13	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6])	118.5850	0.000	1	118.5850	0.000	1	118.5850	0.000	1	117.2282	2.217	13	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CCHH)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CCHH){2|C<3>,6|H<1>}	H(C[6]C[5,6]C[6])	117.4200	0.000	1	117.4200	0.000	1	117.2330	0.841	8	117.2282	2.217	13	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|S<4>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6])	117.8500	0.000	1	117.2063	0.975	7	117.2330	0.841	8	117.2282	2.217	13	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	117.2550	0.000	1	117.2063	0.975	7	117.2330	0.841	8	117.2282	2.217	13	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){2|C<3>,6|H<1>}	H(C[6]C[5,6]C[6])	117.5838	0.063	4	117.2063	0.975	7	117.2330	0.841	8	117.2282	2.217	13	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H){1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6])	115.0040	0.000	1	117.2063	0.975	7	117.2330	0.841	8	117.2282	2.217	13	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:4:1:	3:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]S[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(C[5]N[5]HH)(H)	H(C[6]C[5,6]2)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]S[5])(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|C<3>}	H(C[6]C[5,6]2)	122.9510	0.000	1	122.9510	0.000	1	122.9510	0.000	1	119.6143	9.958	3	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:4:1:	3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]CC)(H)	H(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H){2|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]CC)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6,6])	119.2140	0.000	1	119.2140	0.000	1	117.9460	3.216	2	119.6143	9.958	3	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:4:1:	3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(C[5]C[5]CO)(H)	H(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,2|H<1>,2|O<2>,6|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(C[5]C[5]CO)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6,6])	116.6780	0.000	1	116.6780	0.000	1	117.9460	3.216	2	119.6143	9.958	3	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:4:2:	3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:O-2:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]H)(C[5]C[5]CH)(OH)	H(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]H)(C[5]C[5]CH)(OH){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6])	117.3030	0.000	1	117.3030	0.000	1	117.3030	0.000	1	117.3030	0.000	1	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:4:3:	3:	C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[6]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,5]C[5,5]C[5]O[5])(C[6]C[5,6]H)(C[5]C[5]HH)(C[6]O[6]O)	H(C[6]C[5,6]2)	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5])(H){1|C<3>,1|O<1>,2|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,5]C[5,5]C[5]O[5])(C[6]C[5,6]H)(C[5]C[5]HH)(C[6]O[6]O){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]2)	122.2170	0.000	1	122.1625	0.006	2	122.1625	0.006	2	117.2812	9.400	8	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:4:3:	3:	C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[6]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,5]C[5,5]C[5]O[5])(C[6]C[5,6]H)(C[5]C[5]HH)(C[6]O[6]O)	H(C[6]C[5,6]2)	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5])(H){1|O<1>,2|O<2>,4|H<1>,6|C<4>}	C[5,6](C[5,5]C[5,5]C[5]O[5])(C[6]C[5,6]H)(C[5]C[5]HH)(C[6]O[6]O){2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]2)	122.1080	0.000	1	122.1625	0.006	2	122.1625	0.006	2	117.2812	9.400	8	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:4:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]H){4|C<3>,7|H<1>}	H(C[6]C[5,6]C[6])	115.6250	0.000	1	115.6250	0.000	1	115.6542	0.451	6	117.2812	9.400	8	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:3:4:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,7|H<1>}	H(C[6]C[5,6]C[6])	115.6600	0.751	5	115.6600	0.564	5	115.6542	0.451	6	117.2812	9.400	8	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:2:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[5]-4:O[5]-2:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5,5]HH)(O[5]C[5,5])(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5,5]HH)(O[5]C[5,5])(C[6]C[6]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6])	118.0880	0.000	1	118.0880	0.000	1	118.0880	0.000	1	118.0880	0.000	1	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6])	116.3540	0.000	1	116.3540	0.000	1	116.3540	0.000	1	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[3,5,6]C[3,6]2C[5])(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]H)(H){1|C<2>,3|H<1>,4|C<4>}	C[5,6](C[3,5,6]C[3,6]2C[5])(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,3|O<2>,5|H<1>}	H(C[6]C[5,6]C[6])	116.7870	0.208	2	116.7870	0.043	2	116.7870	0.043	2	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[3x5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6])	122.8460	0.000	1	122.8460	0.000	1	122.8460	0.000	1	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H)	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H){2|N<3>,3|C<4>,3|H<1>}	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,4|C<3>,6|C<4>}	H(C[6]C[5,6]C[6])	117.6770	0.000	1	118.1773	0.464	3	117.9128	0.403	5	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H)	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H){2|N<3>,3|C<4>,3|H<1>}	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){2|H<1>,4|C<3>,6|C<4>}	H(C[6]C[5,6]C[6])	118.4275	0.743	2	118.1773	0.464	3	117.9128	0.403	5	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H)	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,3|C<3>,6|C<4>}	H(C[6]C[5,6]C[6])	117.2330	0.000	1	117.5160	0.160	2	117.9128	0.403	5	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H)	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,4|C<3>,5|C<4>}	H(C[6]C[5,6]C[6])	117.7990	0.000	1	117.5160	0.160	2	117.9128	0.403	5	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	117.7010	0.000	1	117.7010	0.000	1	120.0740	11.262	2	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	H(C[6]C[5,6]C[6])	122.4470	0.000	1	122.4470	0.000	1	120.0740	11.262	2	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H){2|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]H)(H){2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6])	115.4360	0.000	1	115.4360	0.000	1	118.2297	8.921	3	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6])	121.3780	0.000	1	121.3780	0.000	1	118.2297	8.921	3	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]CC)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]CC)(C[6]C[6]H)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	117.8750	0.000	1	117.8750	0.000	1	118.2297	8.921	3	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(H)	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6])	117.9850	0.000	1	118.0350	0.111	3	118.0609	0.178	8	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(H)	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6])	118.0600	0.467	2	118.0350	0.111	3	118.0609	0.178	8	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6])	118.5970	0.000	1	118.5970	0.000	1	118.0609	0.178	8	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]C)(H)	C[5,6](C[5,5]C[5,5]N[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]N[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,3|C<3>,5|C<4>}	H(C[6]C[5,6]C[6])	118.6160	0.000	1	118.6160	0.000	1	118.0609	0.178	8	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6])	117.7230	0.201	3	117.7230	0.041	3	118.0609	0.178	8	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]C)(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H){1|N<2>,1|O<2>,2|H<1>,2|O<1>,6|C<4>}	H(C[6]C[5,6]C[6])	120.1840	0.000	1	120.1840	0.000	1	120.1840	0.000	1	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6])	119.1250	0.000	1	119.1250	0.000	1	119.1250	0.000	1	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6])	119.5310	0.000	1	119.5310	0.000	1	118.5287	1.088	7	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6,6]N[5,6,6]C[6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(H){2|C<3>,2|N<3>,3|H<1>}	C[5,6](C[5,6,6]N[5,6,6]C[6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6])	119.2260	0.000	1	119.2260	0.000	1	118.5287	1.088	7	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H){1|Si<4>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6])	117.2260	0.000	1	117.2260	0.000	1	118.5287	1.088	7	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	119.9400	0.000	1	119.9400	0.000	1	118.5287	1.088	7	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	117.6170	0.000	1	117.6170	0.000	1	118.5287	1.088	7	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]CH)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	117.8420	0.000	1	117.8420	0.000	1	118.5287	1.088	7	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]O)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	118.3190	0.000	1	118.3190	0.000	1	118.5287	1.088	7	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:Si[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]Si[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]Si[5,6]C[6,6]C)(Si[5]O[5]CC)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]Si[5]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|O<2>,4|C<4>}	C[5,6](C[5,6,6]Si[5,6]C[6,6]C)(Si[5]O[5]CC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	H(C[6]C[5,6]C[6])	120.0200	0.000	1	120.0200	0.000	1	120.0200	0.000	1	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]H)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6])	118.1670	0.000	1	118.1670	0.000	1	118.4087	0.210	3	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6])	118.9370	0.000	1	118.9370	0.000	1	118.4087	0.210	3	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6])	118.1220	0.000	1	118.1220	0.000	1	118.4087	0.210	3	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6])	117.3705	0.267	2	117.6070	0.203	3	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6])	118.0800	0.000	1	117.6070	0.203	3	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]H)(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]H)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6])	116.3730	0.000	1	116.3730	0.000	1	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	117.6290	0.000	1	117.6290	0.000	1	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[5,6]C[6])	119.9900	0.000	1	119.9900	0.000	1	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6])	118.4005	0.074	2	118.4005	0.006	2	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6])	118.0120	0.000	1	118.0120	0.000	1	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	120.3820	0.000	1	120.3820	0.000	1	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]2O[5])(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]2O[5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,7|C<3>}	H(C[6]C[5,6]C[6])	119.4980	0.000	1	119.4980	0.000	1	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6])	117.3740	0.074	2	117.3740	0.005	2	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H){1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6])	119.9140	0.000	1	119.9140	0.000	1	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[6,6a]N[5]S)(C[5]C[5]Cl2)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H){2|Cl<1>,1|N<3>,1|S<2>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]S)(C[5]C[5]Cl2)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	H(C[6]C[5,6]C[6])	119.3250	0.000	1	119.3250	0.000	1	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	118.9850	0.000	1	118.9850	0.000	1	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6])	119.0000	0.000	1	119.0000	0.000	1	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	119.0210	0.000	1	119.0210	0.000	1	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6])	118.1980	0.000	1	118.1980	0.000	1	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	119.3460	0.000	1	119.3460	0.000	1	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[6]C[5,6]C[6])	118.8690	1.458	2	118.9793	1.259	4	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[6]C[5,6]C[6])	119.0895	1.266	2	118.9793	1.259	4	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[5,6]C[6])	119.5330	0.477	2	119.5330	0.227	2	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	117.8230	0.000	1	118.6690	1.431	2	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[5,6]C[6])	119.5150	0.000	1	118.6690	1.431	2	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6])	120.1220	0.000	1	120.1220	0.000	1	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[5,6]C[6])	120.5260	0.000	1	120.5260	0.000	1	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[5,6]C[6])	117.9365	0.128	2	118.4205	0.844	4	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6])	119.7930	0.000	1	118.4205	0.844	4	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|N<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H){1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6])	118.0160	0.000	1	118.4205	0.844	4	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[5,6]C[6])	119.7310	0.784	4	119.8290	0.398	6	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6])	119.9050	0.000	1	119.8290	0.398	6	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[5,6]C[6])	120.1450	0.000	1	119.8290	0.398	6	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]O[5]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]O[5]CH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[6]C[5,6]C[6])	118.7210	0.000	1	118.7210	0.000	1	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6]C[5,6]C[6])	120.6340	0.000	1	119.0505	5.015	2	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|S<4>,3|H<1>}	H(C[6]C[5,6]C[6])	117.4670	0.000	1	119.0505	5.015	2	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]P[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|N<3>,1|P<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]P[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6])	116.7340	0.000	1	116.7340	0.000	1	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[5,6]C[6])	117.7615	0.016	2	117.7615	0.000	2	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]C[6])	118.2900	0.144	2	118.2900	0.021	2	118.7776	1.247	48	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:P[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(P[5]C[6a]N[5]O)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(P[5]C[6a]N[5]O)(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6])	116.4840	0.000	1	116.4840	0.000	1	116.4840	0.000	1	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	H(C[6]C[5,6]C[6])	119.3900	0.000	1	119.3900	0.000	1	119.3900	0.000	1	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5a]C[6])(H)	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5a]C[6])(H){1|C<3>,1|S<2>,2|C<4>,6|H<1>}	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	119.9900	0.000	1	119.9900	0.000	1	119.9900	0.000	1	118.6408	1.765	86	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]H)(OH)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]H)(OH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6])	119.3740	0.000	1	119.3740	0.000	1	119.3740	0.000	1	118.8028	1.798	14	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(OH)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(OH){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6])	117.9740	0.000	1	117.9740	0.000	1	119.2260	3.135	2	118.8028	1.798	14	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]H)(OH)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[5,6]C[6])	120.4780	0.000	1	120.4780	0.000	1	119.2260	3.135	2	118.8028	1.798	14	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,6]2O)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)(OH)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]2O)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6])	117.5250	0.000	1	117.5250	0.000	1	117.5250	0.000	1	118.8028	1.798	14	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(OC)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(OC){2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6])	117.5860	0.000	1	117.5860	0.000	1	117.8276	0.063	5	118.8028	1.798	14	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OC)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OC){1|C<3>,1|S<4>,5|H<1>}	H(C[6]C[5,6]C[6])	117.8710	0.000	1	117.8710	0.000	1	117.8276	0.063	5	118.8028	1.798	14	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH){2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6])	117.6960	0.000	1	117.6960	0.000	1	117.8276	0.063	5	118.8028	1.798	14	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<1>,3|H<1>}	H(C[6]C[5,6]C[6])	118.2380	0.000	1	118.2380	0.000	1	117.8276	0.063	5	118.8028	1.798	14	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]S)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(OC)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]S)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(OC){1|C<3>,1|O<1>,1|S<4>,4|H<1>}	H(C[6]C[5,6]C[6])	117.7470	0.000	1	117.7470	0.000	1	117.8276	0.063	5	118.8028	1.798	14	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:S-2:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)(SC)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)(SC){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6])	117.1910	0.000	1	117.1910	0.000	1	117.1910	0.000	1	118.8028	1.798	14	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H)(O[5]N[5])	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(H){1|N<2>,2|C<3>,2|O<2>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H)(O[5]N[5]){2|Br<1>,2|C<3>}	H(C[6]C[5,6]C[6])	120.4857	0.261	3	120.4857	0.068	3	120.3897	0.082	4	118.8028	1.798	14	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]H)(O[5]C[5])	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6])	120.1020	0.000	1	120.1020	0.000	1	120.3897	0.082	4	118.8028	1.798	14	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[4,5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[4,5]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[4,5]C[4]2C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[4,5]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[4,5]C[4]2C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O){2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6])	120.3700	0.000	1	120.3700	0.000	1	120.3700	0.000	1	117.9350	0.432	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]H)(CCH)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H){1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]H)(CCH){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6])	117.9340	0.020	2	117.9340	0.000	2	117.9340	0.000	2	117.9350	0.432	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]C[6])(C[6]C[6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]C[5,5,6]HH)(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]C[5,5,6]HH)(C[6]C[6]H)2{2|C<4>,8|C<3>}	H(C[6]C[5,6]C[6])	117.4645	0.046	2	117.4645	0.002	2	117.4645	0.002	2	117.9350	0.432	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:N-3:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]N)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(NCH)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5]N)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	H(C[6]C[5,6]C[6])	117.7600	0.000	1	117.8445	0.014	2	117.8445	0.014	2	117.9350	0.432	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:N-3:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]N)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(NCH)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5]N)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(NCH){1|C<4>,1|N<2>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6])	117.9290	0.000	1	117.8445	0.014	2	117.8445	0.014	2	117.9350	0.432	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]H)(CCO)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]H)(CCO){2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6])	116.7610	0.000	1	116.7610	0.000	1	117.9158	0.840	5	117.9350	0.432	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(CNO)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(CNO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	117.5730	0.000	1	117.5730	0.000	1	117.9158	0.840	5	117.9350	0.432	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(COO)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	117.6280	0.000	1	117.6280	0.000	1	117.9158	0.840	5	117.9350	0.432	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]H)(COO)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]H)(COO){1|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	118.8085	0.480	2	118.8085	0.231	2	117.9158	0.840	5	117.9350	0.432	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]2N[5])(C[5]C[5]HH)(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]2N[5])(C[5]C[5]HH)(C[6]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	118.0958	0.256	4	118.0958	0.065	4	118.0958	0.065	4	117.9350	0.432	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]N[5])(C[6]C[6,6]C[6a])(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(N[5]C[5]2)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]N[5])(C[6]C[6,6]C[6a])(H){3|H<1>,4|C<3>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(N[5]C[5]2){2|C<3>,3|C<4>,8|H<1>}	H(C[6]C[5,6]C[6])	118.0570	0.000	1	118.0570	0.000	1	118.0570	0.000	1	117.9350	0.432	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]O[6]O)(C[5]C[5]O)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]O[6]O)(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	119.1620	0.000	1	119.1620	0.000	1	119.1620	0.000	1	117.9350	0.432	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|O<1>,2|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6])	117.1620	0.027	2	117.1620	0.001	2	117.5667	0.267	10	117.9350	0.432	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)2{2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6])	117.4232	0.288	4	117.4232	0.083	4	117.5667	0.267	10	117.9350	0.432	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[5,6](C[5]C[6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5]C[6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6])	117.4115	0.125	2	117.4115	0.016	2	117.5667	0.267	10	117.9350	0.432	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[5,6](C[5]C[5]CH)(C[5]O[5]CH)(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5]C[5]CH)(C[5]O[5]CH)(C[6]C[6]H)2{1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[5,6]C[6])	118.4135	0.497	2	118.4135	0.247	2	117.5667	0.267	10	117.9350	0.432	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[5]C[5]O)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[5,6]C[6])	117.7910	0.000	2	117.7910	0.000	2	117.9782	0.104	11	117.9350	0.432	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)(C[5]C[5]H)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)(C[5]C[5]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6]C[5,6]C[6])	117.6750	0.000	1	117.6750	0.000	1	117.9782	0.104	11	117.9350	0.432	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H){1|C<4>,7|H<1>}	H(C[6]C[5,6]C[6])	117.9495	0.869	2	117.9495	0.755	2	117.9782	0.104	11	117.9350	0.432	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[5]O[5]O)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[5]O[5]O)(C[6]C[6]H){2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6])	118.1233	0.034	3	118.1233	0.001	3	117.9782	0.104	11	117.9350	0.432	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H){1|C<4>,1|S<4>,5|H<1>}	H(C[6]C[5,6]C[6])	118.0780	0.109	3	118.0780	0.012	3	117.9782	0.104	11	117.9350	0.432	39	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,1|S<4>,2|H<1>}	H(C[6]C[5,6]C[6])	116.4975	3.266	2	116.4975	10.668	2	116.4975	10.668	2	118.1348	1.703	24	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[3x5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[3x5,6]C[5]O[5])(C[5]C[5]HO)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6](C[3x5,6]C[3x5,6]C[5]O[5])(C[5]C[5]HO)(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,2|O<1>,3|C<4>}	H(C[6]C[5,6]C[6])	118.3140	0.000	1	118.3140	0.000	1	118.3140	0.000	1	118.1348	1.703	24	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6,6a]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5]2)(C[5]C[5]CC)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6,6a]H)(H){3|C<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,6,6a]C[5]2)(C[5]C[5]CC)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6])	116.2645	0.540	2	116.2645	0.291	2	116.2645	0.291	2	118.1348	1.703	24	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(H)	C[5,6](C[5,5]C[5,5]2H)(C[5,6]C[5,6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]2H)(C[5,6]C[5,6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6])	118.3905	0.114	2	118.3905	0.013	2	118.3905	0.013	2	118.1348	1.703	24	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6])	120.1720	0.023	2	120.1720	0.001	2	120.1720	0.001	2	118.1348	1.703	24	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(CHHO)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]C[6])(H){1|C<3>,3|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[5,6]C[6])	118.6560	0.000	1	118.6560	0.000	1	118.1682	0.628	11	118.1348	1.703	24	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CH)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CH)(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6])	118.7090	0.000	1	118.7090	0.000	1	118.1682	0.628	11	118.1348	1.703	24	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(CHHO)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(CHHO){1|C<3>,6|H<1>}	H(C[6]C[5,6]C[6])	118.4520	0.000	1	118.4520	0.000	1	118.1682	0.628	11	118.1348	1.703	24	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3){1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6])	118.0040	0.000	1	118.0040	0.000	1	118.1682	0.628	11	118.1348	1.703	24	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6])	119.5330	0.000	1	119.5330	0.000	1	118.1682	0.628	11	118.1348	1.703	24	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|H<1>}	H(C[6]C[5,6]C[6])	116.9730	0.000	1	116.9730	0.000	1	118.1682	0.628	11	118.1348	1.703	24	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5]N)(C[5]C[6a]C[5]C)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]N)(C[5]C[6a]C[5]C)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[5,6]C[6])	118.8460	0.000	1	118.8460	0.000	1	118.1682	0.628	11	118.1348	1.703	24	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HO)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|O<2>,1|S<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HO)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,5|H<1>}	H(C[6]C[5,6]C[6])	117.4347	0.343	3	117.4347	0.117	3	118.1682	0.628	11	118.1348	1.703	24	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6])	118.3730	0.000	1	118.3730	0.000	1	118.1682	0.628	11	118.1348	1.703	24	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|O<2>,2|S<2>,4|H<1>}	H(C[6]C[5,6]C[6])	118.6790	0.000	1	118.6790	0.000	1	118.6058	0.064	4	118.1348	1.703	24	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|O<2>,6|H<1>}	H(C[6]C[5,6]C[6])	118.7385	0.189	2	118.7385	0.036	2	118.6058	0.064	4	118.1348	1.703	24	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)(SCOO)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)(SCOO){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6])	118.2670	0.000	1	118.2670	0.000	1	118.6058	0.064	4	118.1348	1.703	24	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	4:4:4:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]O[5]HH)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]O[5]HH)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[5,6]C[6])	117.4305	0.235	2	117.4305	0.055	2	117.4305	0.055	2	117.4305	0.055	2	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:3:1:	6:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5x3,6x5,20x6]-6:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5x3,6x5,20x6]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]C)(C[6]C[6]H)2	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5x3,6x5,20x6]C[5]C[6])(C[6]C[6]H)(H){1|C<6>,2|C<3>,2|C<4>,2|H<1>,4|B<6>}	C[5,6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]C)(C[6]C[6]H)2{1|C<4>,5|B<6>,7|H<1>}	H(C[6]C[5,6]C[6])	117.7115	0.078	4	117.7115	0.006	4	117.7115	0.006	4	117.7115	0.006	4	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:4:1:	3:4:4:3:	3:	C[5,6]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6])	120.9850	0.000	1	120.9850	0.000	1	120.9850	0.000	1	120.9850	0.000	1	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:4:1:	4:3:2:2:	3:	C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[5,6]CH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OH)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[5,6]CH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OH){1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6])	121.8600	0.000	1	121.8600	0.000	1	121.8600	0.000	1	121.8600	0.000	1	118.2841	2.777	677	118.6005	3.738	856
762	474	951	0:SP2_SP-NON_SP3	C[6]	C[5,6]	H	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]O[5]CC)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]O[5]CC)(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6])	122.3490	0.000	1	122.3490	0.000	1	122.3490	0.000	1	122.3490	0.000	1	118.2841	2.777	677	118.6005	3.738	856
762	474	952	0:SP2_SP3_SP3	C[6]	C[5,6]	S	4:3:4:	3:4:3:1:	3:3:1:1:	C[5,6]-4:C[6]-3:S-4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-1:O-1:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(SC[6a]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H)	S(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	S(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	116.8550	0.000	1	116.5595	0.175	2	116.5595	0.175	2	116.5595	0.175	2	116.5595	0.175	2	116.5595	0.175	2
762	474	952	0:SP2_SP3_SP3	C[6]	C[5,6]	S	4:3:4:	3:4:3:1:	3:3:1:1:	C[5,6]-4:C[6]-3:S-4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-1:O-1:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(SC[6a]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H)	S(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H){1|O<2>,4|C<3>,4|H<1>}	S(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	116.2640	0.000	1	116.5595	0.175	2	116.5595	0.175	2	116.5595	0.175	2	116.5595	0.175	2	116.5595	0.175	2
762	474	956	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:2:3:	3:4:4:3:	3:1:1:	C[5,6]-4:N[6]-2:N-3:	C[6,6a]-3:C[5]-4:C[5]-4:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[6,6a]C[5]2)(N[6]C[6])(NHH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2(C[6]N[6]N)	N(C[6]C[5,6]N[6])(H)2	C[6](C[5,6]C[6,6a]C[5]2)(N[6]C[6])(NHH){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2(C[6]N[6]N){3|C<3>,5|H<1>}	N(C[6]C[5,6]N[6])(H)2	117.7120	0.000	1	117.7120	0.000	1	117.7120	0.000	1	117.7120	0.000	1	117.1628	1.863	20	117.1628	1.863	20
762	474	956	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:3:3:	2:3:4:1:	3:1:1:	C[5,6]-4:C[5,6]-3:N-3:	O[5,6]-2:C[6]-3:C[5]-4:H-1:	C[6]-3:O-1:O-1:	C[6](C[5,6]O[5,6]C[5]H)(C[5,6]N[5,6]N[5])(NOO)	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]N)(C[5]C[5]HH)(H)	N(C[6]C[5,6]2)(O)2	C[6](C[5,6]O[5,6]C[5]H)(C[5,6]N[5,6]N[5])(NOO){2|H<1>,5|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]N)(C[5]C[5]HH)(H){2|N<3>,3|H<1>}	N(C[6]C[5,6]2)(O)2	116.9030	0.000	1	116.9030	0.000	1	116.9030	0.000	1	116.9030	0.000	1	117.1628	1.863	20	117.1628	1.863	20
762	474	956	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:3:3:	3:3:2:2:	3:1:1:	C[5,6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:O[5]-2:O[5]-2:	C[6]-3:O-1:O-1:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(NOO)	C[5,6](C[6]C[6]N)2(O[5]C[5])2	N(C[6]C[5,6]C[6])(O)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(NOO){1|C<3>,2|C<4>,2|N<3>}	C[5,6](C[6]C[6]N)2(O[5]C[5])2{1|C<3>,1|C<4>,5|H<1>}	N(C[6]C[5,6]C[6])(O)2	117.7040	0.656	2	117.7040	0.431	2	117.7040	0.431	2	117.7040	0.431	2	117.1628	1.863	20	117.1628	1.863	20
762	474	956	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:3:3:	3:3:3:3:	3:1:1:	C[5,6]-4:C[5,6]-3:N-3:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[6]-3:O-1:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5])(NOO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C)	N(C[6]C[5,6]2)(O)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5])(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C){2|C<3>,2|H<1>,3|N<3>}	N(C[6]C[5,6]2)(O)2	118.5408	0.625	4	118.5408	0.391	4	118.5408	0.391	4	117.0225	3.345	8	117.1628	1.863	20	117.1628	1.863	20
762	474	956	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:3:3:	3:3:3:3:	3:1:1:	C[5,6]-4:C[6]-3:N-3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6]-3:O-1:O-1:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(NOO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]N)	N(C[6]C[5,6]C[6])(O)2	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(NOO){1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]N){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	N(C[6]C[5,6]C[6])(O)2	117.1790	0.000	1	117.1790	0.000	1	117.1790	0.000	1	117.0225	3.345	8	117.1628	1.863	20	117.1628	1.863	20
762	474	956	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:3:3:	3:3:3:3:	3:1:1:	C[5,6]-4:C[6]-3:N-3:	C[5]-3:C[6]-3:C[5]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N)	N(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	N(C[6]C[5,6]C[6])(H)2	114.9420	0.000	1	114.9420	0.000	1	114.9420	0.000	1	117.0225	3.345	8	117.1628	1.863	20	117.1628	1.863	20
762	474	956	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:3:3:	3:3:3:3:	3:1:1:	C[5,6]-4:C[6]-3:N-3:	C[6]-3:C[5]-3:C[5]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C[5,6](C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]N)	N(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	N(C[6]C[5,6]C[6])(H)2	114.9480	0.245	2	114.9480	0.060	2	114.9480	0.060	2	117.0225	3.345	8	117.1628	1.863	20	117.1628	1.863	20
762	474	956	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:3:3:	3:3:4:1:	3:1:1:	C[5,6]-4:C[5,6]-3:N-3:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:O-1:O-1:	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]N[5,6]N[5])(NOO)	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[5,6]N)(C[5]C[5]HH)(H)	N(C[6]C[5,6]2)(O)2	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]N[5,6]N[5])(NOO){1|C<3>,2|H<1>,5|C<4>}	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[5,6]N)(C[5]C[5]HH)(H){2|C<3>,2|N<3>,3|H<1>}	N(C[6]C[5,6]2)(O)2	117.1750	0.000	1	117.1750	0.000	1	117.1750	0.000	1	117.1750	0.000	1	117.1628	1.863	20	117.1628	1.863	20
762	474	956	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:3:3:	3:4:3:3:	3:1:1:	C[5,6]-4:C[6]-3:N-3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NHH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5]N[5]O)(C[6]C[6]N)	N(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	N(C[6]C[5,6]C[6])(H)2	114.7830	0.000	1	114.7830	0.000	1	114.7830	0.000	1	114.7830	0.000	1	117.1628	1.863	20	117.1628	1.863	20
762	474	956	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:3:3:	4:3:3:1:	3:1:1:	C[5,6]-4:C[5,6]-3:N-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[5,6]N[5,6]N[5])(NOO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(H)	N(C[6]C[5,6]2)(O)2	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[5,6]N[5,6]N[5])(NOO){1|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<2>}	N(C[6]C[5,6]2)(O)2	118.7960	0.000	1	118.7960	0.000	1	118.7960	0.000	1	118.2820	0.198	3	117.1628	1.863	20	117.1628	1.863	20
762	474	956	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:3:3:	4:3:3:1:	3:1:1:	C[5,6]-4:C[6]-3:N-3:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]H)(NOO)	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]N)(H)	N(C[6]C[5,6]C[6])(O)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]H)(NOO){2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]N)(H){1|H<1>,4|C<3>}	N(C[6]C[5,6]C[6])(O)2	118.0250	0.000	2	118.0250	0.000	2	118.0250	0.000	2	118.2820	0.198	3	117.1628	1.863	20	117.1628	1.863	20
762	474	956	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:3:3:	4:4:3:3:	3:1:1:	C[5,6]-4:C[6]-3:N-3:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C[5,6](C[6]C[6a]C[6]H)(C[5]S[5]HH)(C[5]C[5]O)(C[6]C[6]N)	N(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5]S[5]HH)(C[5]C[5]O)(C[6]C[6]N){1|C<2>,1|H<1>,4|C<3>}	N(C[6]C[5,6]C[6])(H)2	116.7060	0.000	1	116.7060	0.000	1	116.7060	0.000	1	116.7060	0.000	1	117.1628	1.863	20	117.1628	1.863	20
762	474	956	0:SP2_SP2_SP3	C[6]	C[5,6]	N	4:4:3:	4:4:3:1:	3:2:1:	C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:O-2:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NHO)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CC)(C[6]C[6]N)(H)	N(C[6]C[5,6]C[6])(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NHO){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CC)(C[6]C[6]N)(H){1|C<4>,5|H<1>}	N(C[6]C[5,6]C[6])(OH)(H)	116.7715	0.333	2	116.7715	0.111	2	116.7715	0.111	2	116.7715	0.111	2	117.1628	1.863	20	117.1628	1.863	20
762	474	956	0:SP2_SP3_SP3	C[6]	C[5,6]	N	4:3:3:	3:3:3:3:	3:1:1:	C[5,6]-4:C[6]-3:N-3:	C[5]-3:C[6]-3:C[5]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N)	N(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	N(C[6]C[5,6]C[6])(H)2	114.6860	0.000	1	114.6860	0.000	1	114.6860	0.000	1	114.6860	0.000	1	114.6860	0.000	1	114.6860	0.000	1
762	474	961	0:SP2_SP3_SP3	C[6,6]	C[5,6]	S[6]	4:3:4:	3:3:3:3:	3:3:1:1:	C[5,6]-4:C[6,6]-3:S[6]-4:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6,6]-3:N[6]-3:O-1:O-1:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(S[6]N[6]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6])(C[5]N[5]O)(C[6]C[6]C)	S[6](C[6,6]C[5,6]C[6,6])(N[6]C[6,6a]C)(O)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(S[6]N[6]OO){1|C<2>,1|C<4>,1|N<3>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6])(C[5]N[5]O)(C[6]C[6]C){1|O<2>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	S[6](C[6,6]C[5,6]C[6,6])(N[6]C[6,6a]C)(O)2{1|O<2>,5|C<3>}	117.8130	0.000	1	117.8130	0.000	1	117.8130	0.000	1	117.8130	0.000	1	117.8130	0.000	1	117.8130	0.000	1
762	474	977	0:SP2_SP-NON_SP3	C[6]	C[5,6]	S	4:2:1:	4:4:3:1:	3:	C[5,6]-4:O[6]-2:S-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(S)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]S)(H)	S(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(S){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]S)(H){1|H<1>,6|C<3>}	S(C[6]C[5,6]O[6])	125.8160	0.000	1	125.8160	0.000	1	125.8160	0.000	1	125.8160	0.000	1	125.8160	0.000	1	125.8160	0.000	1
762	474	983	0:SP2_SP1_SP3	C[6,6]	C[5,3x6]	C	4:3:2:	4:3:3:4:	3:1:	C[5,3x6]-4:C[6,6]-3:C-2:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[6,6]-3:N-1:	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(C[6,6]C[3x6]N)(CN)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(N[6,6]C[6,6]H)(C[5]C[5]HH)	C(C[6,6]C[5,3x6]C[6,6])(N)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(C[6,6]C[3x6]N)(CN){1|C<3>,3|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(N[6,6]C[6,6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[6,6]C[5,3x6]C[6,6])(N)	123.0500	0.000	1	123.0500	0.000	1	123.0500	0.000	1	123.0500	0.000	1	123.0500	0.000	1	118.4372	2.842	38
762	474	983	0:SP2_SP1_SP3	C[6]	C[5,6]	C	3:4:2:	4:3:3:4:	3:3:	C[6,6a]-3:C[5,6]-4:C-2:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[6]-3:C-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]C)(CH3)	C(C[6]C[6,6a]C[5,6])(CBrH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]C)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[5,6])(CBrH)	119.4030	0.884	2	119.4030	0.781	2	119.4030	0.781	2	119.4030	0.781	2	118.3125	2.314	37	118.4372	2.842	38
762	474	983	0:SP2_SP1_SP3	C[6]	C[5,6]	C	4:3:2:	3:3:3:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-3:C[5]-3:C[5]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6]C[5]2)(C[6]O[6]N)(CN)	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5,6a]O)2(C[6]C[6]C)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6]C[5]2)(C[6]O[6]N)(CN){1|S<4>,2|O<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5,6a]O)2(C[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C(C[6]C[5,6]C[6])(N)	118.8600	0.000	1	118.8600	0.000	1	118.8600	0.000	1	118.3042	1.950	33	118.3125	2.314	37	118.4372	2.842	38
762	474	983	0:SP2_SP1_SP3	C[6]	C[5,6]	C	4:3:2:	3:3:3:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C(C[6]C[5,6]C[6])(N)	119.2570	0.000	1	119.2570	0.000	1	118.3440	1.667	2	118.3042	1.950	33	118.3125	2.314	37	118.4372	2.842	38
762	474	983	0:SP2_SP1_SP3	C[6]	C[5,6]	C	4:3:2:	3:3:3:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5])(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C(C[6]C[5,6]C[6])(N)	117.4310	0.000	1	117.4310	0.000	1	118.3440	1.667	2	118.3042	1.950	33	118.3125	2.314	37	118.4372	2.842	38
762	474	983	0:SP2_SP1_SP3	C[6]	C[5,6]	C	4:3:2:	3:3:3:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[5,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]2C[5a,6])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]2C[5a,6])(C[6]O[6]N)(CN){1|N<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,2|N<2>,2|N<3>,3|C<3>}	C(C[6]C[5,6]C[6])(N)	116.7290	0.000	1	116.7290	0.000	1	116.7290	0.000	1	118.3042	1.950	33	118.3125	2.314	37	118.4372	2.842	38
762	474	983	0:SP2_SP1_SP3	C[6]	C[5,6]	C	4:3:2:	3:3:3:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]N)(CN){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{2|H<1>,2|N<3>,3|C<3>}	C(C[6]C[5,6]C[6])(N)	119.4290	0.000	1	119.4290	0.000	1	118.8737	0.813	6	118.3042	1.950	33	118.3125	2.314	37	118.4372	2.842	38
762	474	983	0:SP2_SP1_SP3	C[6]	C[5,6]	C	4:3:2:	3:3:3:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[5,6]C[6])(N)	118.6225	1.903	2	118.7626	0.924	5	118.8737	0.813	6	118.3042	1.950	33	118.3125	2.314	37	118.4372	2.842	38
762	474	983	0:SP2_SP1_SP3	C[6]	C[5,6]	C	4:3:2:	3:3:3:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6])(N)	118.8560	0.066	3	118.7626	0.924	5	118.8737	0.813	6	118.3042	1.950	33	118.3125	2.314	37	118.4372	2.842	38
762	474	983	0:SP2_SP1_SP3	C[6]	C[5,6]	C	4:3:2:	3:3:3:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C(C[6]C[5,6]C[6])(N)	116.8970	0.481	5	117.0485	0.289	8	117.0485	0.289	8	118.3042	1.950	33	118.3125	2.314	37	118.4372	2.842	38
762	474	983	0:SP2_SP1_SP3	C[6]	C[5,6]	C	4:3:2:	3:3:3:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	C(C[6]C[5,6]C[6])(N)	117.5860	0.000	1	117.0485	0.289	8	117.0485	0.289	8	118.3042	1.950	33	118.3125	2.314	37	118.4372	2.842	38
762	474	983	0:SP2_SP1_SP3	C[6]	C[5,6]	C	4:3:2:	3:3:3:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|N<2>}	C(C[6]C[5,6]C[6])(N)	117.1585	0.820	2	117.0485	0.289	8	117.0485	0.289	8	118.3042	1.950	33	118.3125	2.314	37	118.4372	2.842	38
762	474	983	0:SP2_SP1_SP3	C[6]	C[5,6]	C	4:3:2:	3:3:3:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]N[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]N[6]N)(CN){1|N<3>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C(C[6]C[5,6]C[6])(N)	117.4380	1.114	3	117.4380	1.241	3	118.7428	1.367	10	118.3042	1.950	33	118.3125	2.314	37	118.4372	2.842	38
762	474	983	0:SP2_SP1_SP3	C[6]	C[5,6]	C	4:3:2:	3:3:3:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN){1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C(C[6]C[5,6]C[6])(N)	118.6110	0.000	1	118.6110	0.000	1	118.7428	1.367	10	118.3042	1.950	33	118.3125	2.314	37	118.4372	2.842	38
762	474	983	0:SP2_SP1_SP3	C[6]	C[5,6]	C	4:3:2:	3:3:3:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C(C[6]C[5,6]C[6])(N)	119.8853	0.486	3	119.5042	0.434	5	118.7428	1.367	10	118.3042	1.950	33	118.3125	2.314	37	118.4372	2.842	38
762	474	983	0:SP2_SP1_SP3	C[6]	C[5,6]	C	4:3:2:	3:3:3:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(N)	118.9325	0.419	2	119.5042	0.434	5	118.7428	1.367	10	118.3042	1.950	33	118.3125	2.314	37	118.4372	2.842	38
762	474	983	0:SP2_SP1_SP3	C[6]	C[5,6]	C	4:3:2:	3:3:3:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6])(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6])(C[5]N[5]O)(C[6]C[6]C){1|O<2>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C(C[6]C[5,6]C[6])(N)	118.9820	0.000	1	118.9820	0.000	1	118.7428	1.367	10	118.3042	1.950	33	118.3125	2.314	37	118.4372	2.842	38
762	474	983	0:SP2_SP1_SP3	C[6]	C[5,6]	C	4:3:2:	3:3:3:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C(C[6]C[5,6]C[6])(N)	118.8970	0.000	1	117.9588	0.585	4	117.9588	0.585	4	118.3042	1.950	33	118.3125	2.314	37	118.4372	2.842	38
762	474	983	0:SP2_SP1_SP3	C[6]	C[5,6]	C	4:3:2:	3:3:3:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[5,6]C[6])(N)	117.9470	0.194	2	117.9588	0.585	4	117.9588	0.585	4	118.3042	1.950	33	118.3125	2.314	37	118.4372	2.842	38
762	474	983	0:SP2_SP1_SP3	C[6]	C[5,6]	C	4:3:2:	3:3:3:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C(C[6]C[5,6]C[6])(N)	117.0440	0.000	1	117.9588	0.585	4	117.9588	0.585	4	118.3042	1.950	33	118.3125	2.314	37	118.4372	2.842	38
762	474	983	0:SP2_SP1_SP3	C[6]	C[5,6]	C	4:3:2:	3:3:3:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[5a,6]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5,6]C[5a,6]C[5,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5a,6]C[5,6]C[5])(C[6]O[6]N)(CN){1|C<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	C(C[6]C[5,6]C[6])(N)	122.8690	0.000	1	122.8690	0.000	1	122.8690	0.000	1	118.3042	1.950	33	118.3125	2.314	37	118.4372	2.842	38
762	474	983	0:SP2_SP1_SP3	C[6]	C[5,6]	C	4:3:2:	3:4:3:1:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[5,5a]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:N-1:	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6a]O[6])(CN)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6a]O[6])(CN){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C(C[6]C[5,6]C[6])(N)	114.5380	0.000	1	114.5380	0.000	1	114.5380	0.000	1	114.5380	0.000	1	118.3125	2.314	37	118.4372	2.842	38
762	474	983	0:SP2_SP1_SP3	C[6]	C[5,6]	C	4:3:2:	3:4:3:3:	3:1:	C[5,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5a,6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6])(N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5a,6]N)(CN){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C(C[6]C[5,6]C[6])(N)	120.1800	0.000	1	120.1800	0.000	1	120.1800	0.000	1	120.1800	0.000	1	118.3125	2.314	37	118.4372	2.842	38
762	478	478	6:SP2_SP3_SP3	C[6,6]	C[4,6,6]	C[4,6,6]	4:4:3:	4:3:3:1:	4:4:3:1:	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[4,6]-4:C[4,6]-4:C[6,6]-3: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[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[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[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>}	113.8640	0.000	1	113.8640	0.000	1	113.8640	0.000	1	113.8640	0.000	1	113.8640	0.000	1	113.8062	0.146	6
762	478	478	6:SP2_SP3_SP3	C[6]	C[4,6]	C[4,6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[4,6]-4:C[4,6]-4:O-1:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	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)	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)	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>}	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>}	113.3450	0.000	1	113.3450	0.000	1	113.7946	0.182	5	113.7946	0.182	5	113.7946	0.182	5	113.8062	0.146	6
762	478	478	6:SP2_SP3_SP3	C[6]	C[4,6]	C[4,6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[4,6]-4:C[4,6]-4:O-1:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	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)	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)	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>}	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>}	113.9070	0.398	4	113.9070	0.158	4	113.7946	0.182	5	113.7946	0.182	5	113.7946	0.182	5	113.8062	0.146	6
762	478	486	6:SP2_SP3_SP3	C[6]	C[4,5,6]	C[3,6]	4:4:1:	4:3:4:2:	3:3:4:4:	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]-3:C[3]-4:C[3]-4:	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])	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]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>}	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>}	115.9990	0.000	1	115.9990	0.000	1	115.9990	0.000	1	115.9990	0.000	1	115.9990	0.000	1	119.5432	5.373	6
762	478	486	6:SP2_SP3_SP3	C[6]	C[4,6]	C[3,6]	4:4:1:	4:3:4:1:	4:4:3:4:	C[3,6]-4:C[4,6]-4:O-1:	C[4,6]-4:C[6]-3:C[4]-4:H-1:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	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)	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)	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>}	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>}	121.9695	0.844	2	121.9695	0.712	2	121.9695	0.712	2	121.9695	0.712	2	120.2520	2.948	5	119.5432	5.373	6
762	478	486	6:SP2_SP3_SP3	C[6]	C[4,6]	C[3,6]	4:4:1:	4:3:4:4:	4:4:3:1:	C[3,6]-4:C[4,6]-4:O-1:	C[4,6]-4:C[6]-3:C[4]-4:C-4:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	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)	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)	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>}	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>}	119.4730	0.668	2	119.4730	0.446	2	119.4730	0.446	2	119.4730	0.446	2	120.2520	2.948	5	119.5432	5.373	6
762	478	486	6:SP2_SP3_SP3	C[6]	C[4,6]	C[3,6]	4:4:1:	4:4:3:1:	4:3:2:1:	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[3,6]-4:C[6]-3:O[3]-2:H-1:	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)	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)	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>}	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>}	118.3750	0.000	1	118.3750	0.000	1	118.3750	0.000	1	118.3750	0.000	1	120.2520	2.948	5	119.5432	5.373	6
762	478	490	0:SP2_SP3_SP3	C[6,6]	C[4,4x6]	C	4:3:4:	4:4:3:1:	3:4:1:1:	C[4,4x6]-4:C[6,6]-3:C-4:	C[4,4,4x6]-4:C[4,4,4x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C-4:H-1:H-1:	C[6,6](C[4,4x6]C[4,4,4x6]2H)(C[6,6]C[4,4x6]H)(CCHH)	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]C)(H)	C(C[6,6]C[4,4x6]C[6,6])(CC[6a]HH)(H)2	C[6,6](C[4,4x6]C[4,4,4x6]2H)(C[6,6]C[4,4x6]H)(CCHH){1|C<2>,2|H<1>,3|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]C)(H){1|C<2>,2|H<1>,3|C<4>}	C(C[6,6]C[4,4x6]C[6,6])(CC[6a]HH)(H)2	120.7900	0.000	1	120.7900	0.000	1	120.7900	0.000	1	120.7900	0.000	1	120.7900	0.000	1	119.3020	4.225	27
762	478	490	0:SP2_SP3_SP3	C[6,6]	C[4,6,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]CH)(C[6,6]C[6,6]C)(H)	C(C[6,6]C[4,6,6]C[6,6])(H)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3){3|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]CH)(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])(H)3	118.3700	0.000	1	118.3700	0.000	1	118.9495	0.421	8	118.9495	0.421	8	119.8538	2.234	19	119.3020	4.225	27
762	478	490	0:SP2_SP3_SP3	C[6,6]	C[4,6,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3)	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)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3){1|N<3>,3|C<4>,3|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])(H)3	118.0820	0.000	1	119.0323	0.427	7	118.9495	0.421	8	118.9495	0.421	8	119.8538	2.234	19	119.3020	4.225	27
762	478	490	0:SP2_SP3_SP3	C[6,6]	C[4,6,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3)	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)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3){1|O<2>,3|C<4>,3|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])(H)3	119.6063	0.294	3	119.0323	0.427	7	118.9495	0.421	8	118.9495	0.421	8	119.8538	2.234	19	119.3020	4.225	27
762	478	490	0:SP2_SP3_SP3	C[6,6]	C[4,6,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3)	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)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3){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])(H)3	118.9980	0.000	1	119.0323	0.427	7	118.9495	0.421	8	118.9495	0.421	8	119.8538	2.234	19	119.3020	4.225	27
762	478	490	0:SP2_SP3_SP3	C[6,6]	C[4,6,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3)	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)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3){3|H<1>,4|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[6,6]C)(H){1|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(H)3	118.6635	0.474	2	119.0323	0.427	7	118.9495	0.421	8	118.9495	0.421	8	119.8538	2.234	19	119.3020	4.225	27
762	478	490	0:SP2_SP3_SP3	C[6,6]	C[4,6,6]	C	4:3:4:	4:4:3:1:	3:2:1:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:Se-2:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CSeHH)	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])(SeC)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CSeHH){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])(SeC)(H)2	119.1100	0.000	1	119.1100	0.000	1	119.1100	0.000	1	119.1100	0.000	1	119.8538	2.234	19	119.3020	4.225	27
762	478	490	0:SP2_SP3_SP3	C[6,6]	C[4,6,6]	C	4:3:4:	4:4:3:1:	3:3:4:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[5]-3:C-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[5]CH)	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])(C[5]C[5]2)(CN[5]2H)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[5]CH){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])(C[5]C[5]2)(CN[5]2H)(H)	123.2650	0.000	1	123.2650	0.000	1	123.2650	0.000	1	123.2650	0.000	1	119.8538	2.234	19	119.3020	4.225	27
762	478	490	0:SP2_SP3_SP3	C[6,6]	C[4,6,6]	C	4:3:4:	4:4:3:1:	3:4:2:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C-4:N-2:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN)	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])(CC[6,6]HN)(NC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN){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])(CC[6,6]HN)(NC)(H)	120.2370	0.000	1	120.2370	0.000	1	120.2370	0.000	1	120.2370	0.000	1	119.8538	2.234	19	119.3020	4.225	27
762	478	490	0:SP2_SP3_SP3	C[6,6]	C[4,6,6]	C	4:3:4:	4:4:3:1:	3:4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C-4:N-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN)	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])(CC[6,6]HN)(NC[6a]Ni)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN){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])(CC[6,6]HN)(NC[6a]Ni)(H)	119.2550	2.899	2	119.2550	8.405	2	120.0563	3.670	4	120.2620	2.964	5	119.8538	2.234	19	119.3020	4.225	27
762	478	490	0:SP2_SP3_SP3	C[6,6]	C[4,6,6]	C	4:3:4:	4:4:3:1:	3:4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C-4:N-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN)	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])(CN[5]2H)(NC[6a]H)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN){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])(CN[5]2H)(NC[6a]H)(H)	120.8575	0.192	2	120.8575	0.037	2	120.0563	3.670	4	120.2620	2.964	5	119.8538	2.234	19	119.3020	4.225	27
762	478	490	0:SP2_SP3_SP3	C[6,6]	C[4,6,6]	C	4:3:4:	4:4:3:1:	3:4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C-4:O-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHO)	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])(CN[5]2H)(OZn2)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHO){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])(CN[5]2H)(OZn2)(H)	121.0850	0.000	1	121.0850	0.000	1	121.0850	0.000	1	120.2620	2.964	5	119.8538	2.234	19	119.3020	4.225	27
762	478	490	0:SP2_SP3_SP3	C[6,6]	C[4,6,6]	C	4:3:4:	4:4:3:2:	3:1:1:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[4,6]-4:C[4,6]-4:C[6,6]-3:O-2:	C[6,6]-3:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2O)(C[6,6]C[6,6]H)(CH3)	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)(OH)	C(C[6,6]C[4,6,6]C[6,6])(H)3	C[6,6](C[4,6,6]C[4,6]2O)(C[6,6]C[6,6]H)(CH3){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)(OH){1|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(H)3	120.5683	1.443	3	120.5683	2.083	3	120.5683	2.083	3	120.5683	2.083	3	119.8538	2.234	19	119.3020	4.225	27
762	478	490	0:SP2_SP3_SP3	C[6]	C[4,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[4,6]-4:C[6]-3:C-4:	C[4,5]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]H)(CH3)	C[4,6](C[4,5]C[4,5]C[6a]O[5])(C[4,6]C[4,5]C[6]H)(C[6]C[6]C)(H)	C(C[6]C[4,6]C[6])(H)3	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[4,6](C[4,5]C[4,5]C[6a]O[5])(C[4,6]C[4,5]C[6]H)(C[6]C[6]C)(H){3|C<3>,3|C<4>,3|H<1>}	C(C[6]C[4,6]C[6])(H)3	115.9955	0.405	2	115.9955	0.164	2	115.9955	0.164	2	116.6467	0.730	6	117.5916	6.858	7	119.3020	4.225	27
762	478	490	0:SP2_SP3_SP3	C[6]	C[4,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[4,6]-4:C[6]-3:C-4:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(CH3)	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[4]CH)(C[6]C[6]C)(H)	C(C[6]C[4,6]C[6])(H)3	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[4]CH)(C[6]C[6]C)(H){2|C<3>,3|H<1>}	C(C[6]C[4,6]C[6])(H)3	118.2210	0.000	1	118.2210	0.000	1	118.2210	0.000	1	116.6467	0.730	6	117.5916	6.858	7	119.3020	4.225	27
762	478	490	0:SP2_SP3_SP3	C[6]	C[4,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	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:H-1:H-1:H-1:	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)	C(C[6]C[4,6]N[6])(H)3	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>}	C(C[6]C[4,6]N[6])(H)3	116.5560	0.261	3	116.5560	0.068	3	116.5560	0.068	3	116.6467	0.730	6	117.5916	6.858	7	119.3020	4.225	27
762	478	490	0:SP2_SP3_SP3	C[6]	C[4,6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[4,6]-4:C[6]-4:C-4:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:C-4:H-1:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]CH)(CCHH)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4]O)(C[6]C[6]C)(H)	C(C[6]C[4,6]C[6])(CH3)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]CH)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4]O)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C(C[6]C[4,6]C[6])(CH3)(H)2	123.2610	0.000	1	123.2610	0.000	1	123.2610	0.000	1	123.2610	0.000	1	117.5916	6.858	7	119.3020	4.225	27
762	478	622	0:SP2_SP2_SP3	C[6]	C[4]	O[6]	4:2:3:	3:4:4:1:	4:3:	C[4]-4:O[6]-2:C[6]-3:	C[6]-3:C[4]-4:C[4]-4:H-1:	C[3x6]-4:C[6]-3:	C[6](C[4]C[4]2H)(O[6]C[3x6])(C[6]C[6]H)	C[4](C[6]C[6]O[6])(C[4]C[4]CC)(C[4]C[4]HH)(H)	O[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[4]C[6])	C[6](C[4]C[4]2H)(O[6]C[3x6])(C[6]C[6]H){1|O<1>,3|H<1>,5|C<4>}	C[4](C[6]C[6]O[6])(C[4]C[4]CC)(C[4]C[4]HH)(H){1|C<3>,2|C<4>,2|H<1>}	O[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[4]C[6]){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	111.0910	0.000	1	111.0910	0.000	1	111.0910	0.000	1	111.0910	0.000	1	111.0910	0.000	1	111.0910	0.000	1
762	478	622	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	O[6]	4:3:2:	4:3:4:3:	3:4:	C[4,6,6]-4:C[6]-3:O[6]-2:	C[4,6]-4:C[6,6]-3:C[4]-4:C[6]-3:	C[6,6]-3:C[6]-4:	C[6,6](C[4,6,6]C[4,6]C[4]C[6])(C[6]C[6]H)(O[6]C[6])	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[6](C[6,6]C[4,6,6]C[6])(C[6]C[6]CC)	C[6,6](C[4,6,6]C[4,6]C[4]C[6])(C[6]C[6]H)(O[6]C[6]){2|H<1>,2|O<1>,6|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[6](C[6,6]C[4,6,6]C[6])(C[6]C[6]CC){2|C<3>,2|C<4>,3|H<1>}	116.8380	0.000	1	116.8380	0.000	1	116.8380	0.000	1	116.8380	0.000	1	116.8380	0.000	1	117.9193	3.452	30
762	478	622	6:SP2_SP2_SP3	C[6]	C[4,5,5,6,6]	O[6]	4:2:1:	4:4:4:3:	3:4:	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[6,6]-4:	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[6](C[6]C[4,5,5,6,6]O)(C[6,6]C[6]2O[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[6](C[6]C[4,5,5,6,6]O)(C[6,6]C[6]2O[6]){4|H<1>,5|C<4>}	115.3730	0.000	1	115.3730	0.000	1	115.3730	0.000	1	115.3730	0.000	1	115.3730	0.000	1	117.9193	3.452	30
762	478	622	6:SP2_SP2_SP3	C[6]	C[4,6]	O[6]	4:2:1:	3:4:3:1:	3:4:	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]-4:	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[6](C[6]C[4,6]O)(C[6]C[6]HH)	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[6](C[6]C[4,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	115.5690	0.000	1	115.5690	0.000	1	114.5740	0.457	4	114.5740	0.457	4	118.0489	3.407	28	117.9193	3.452	30
762	478	622	6:SP2_SP2_SP3	C[6]	C[4,6]	O[6]	4:2:1:	3:4:3:1:	3:4:	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]-4:	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[6](C[6]C[4,6]O)(C[6]C[6]HH)	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[6](C[6]C[4,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	114.2423	0.161	3	114.2423	0.026	3	114.5740	0.457	4	114.5740	0.457	4	118.0489	3.407	28	117.9193	3.452	30
762	478	622	6:SP2_SP2_SP3	C[6]	C[4,6]	O[6]	4:2:1:	4:3:3:3:	3:4:	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]-4:	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[6](C[6]C[4,6]O)(C[6]O[6]CC)	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[6](C[6]C[4,6]O)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<3>}	115.5310	0.464	2	115.5310	0.215	2	115.5310	0.215	2	115.5310	0.215	2	118.0489	3.407	28	117.9193	3.452	30
762	478	622	6:SP2_SP2_SP3	C[6]	C[4,6]	O[6]	4:2:1:	4:4:3:1:	3:3:	C[4,6]-4:O[6]-2:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6,6a]-3: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[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	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[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){2|C<3>,2|C<4>,2|H<1>}	118.7935	0.896	6	118.7935	0.802	6	118.6624	0.635	8	118.7162	0.611	10	118.0489	3.407	28	117.9193	3.452	30
762	478	622	6:SP2_SP2_SP3	C[6]	C[4,6]	O[6]	4:2:1:	4:4:3:1:	3:3:	C[4,6]-4:O[6]-2:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6,6a]-3: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[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	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[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){2|C<3>,2|C<4>,2|H<1>}	118.2690	0.143	2	118.2690	0.020	2	118.6624	0.635	8	118.7162	0.611	10	118.0489	3.407	28	117.9193	3.452	30
762	478	622	6:SP2_SP2_SP3	C[6]	C[4,6]	O[6]	4:2:1:	4:4:3:1:	3:3:	C[4,6]-4:O[6]-2:O-1:	C[4,6]-4:C[4]-4:C[6]-3:Cl-1:	C[6,6a]-3: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[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	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[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	118.9315	0.968	2	118.9315	0.937	2	118.9315	0.937	2	118.7162	0.611	10	118.0489	3.407	28	117.9193	3.452	30
762	478	622	6:SP2_SP2_SP3	C[6]	C[4,6]	O[6]	4:2:1:	4:4:3:1:	3:4:	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]-4:	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[6](C[6]C[4,6]O)(C[6]C[6]2H)	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[6](C[6]C[4,6]O)(C[6]C[6]2H){3|H<1>,5|C<4>}	118.2040	0.118	3	118.2040	0.014	3	118.3238	0.067	4	118.3238	0.067	4	118.0489	3.407	28	117.9193	3.452	30
762	478	622	6:SP2_SP2_SP3	C[6]	C[4,6]	O[6]	4:2:1:	4:4:3:1:	3:4:	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]-4:	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[6](C[6]C[4,6]O)(C[6]C[6]2H)	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[6](C[6]C[4,6]O)(C[6]C[6]2H){3|H<1>,5|C<4>}	118.6830	0.000	1	118.6830	0.000	1	118.3238	0.067	4	118.3238	0.067	4	118.0489	3.407	28	117.9193	3.452	30
762	478	622	6:SP2_SP2_SP3	C[6]	C[4,6]	O[6]	4:2:1:	4:4:3:3:	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[6,6a]-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[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	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[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){1|H<1>,2|C<4>,3|C<3>}	119.1607	0.534	6	119.1607	0.285	6	119.1607	0.285	6	119.4441	0.484	8	118.0489	3.407	28	117.9193	3.452	30
762	478	622	6:SP2_SP2_SP3	C[6]	C[4,6]	O[6]	4:2:1:	4:4:3:3:	3:3:	C[4,6]-4:O[6]-2:O-1:	C[4,6]-4:C[4]-4:C[6]-3:C-3:	C[6,6a]-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[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	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[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){1|H<1>,2|C<4>,3|C<3>}	120.4290	0.000	1	120.2945	0.036	2	120.2945	0.036	2	119.4441	0.484	8	118.0489	3.407	28	117.9193	3.452	30
762	478	622	6:SP2_SP2_SP3	C[6]	C[4,6]	O[6]	4:2:1:	4:4:3:3:	3:3:	C[4,6]-4:O[6]-2:O-1:	C[4,6]-4:C[4]-4:C[6]-3:C-3:	C[6,6a]-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[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	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[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){1|H<1>,2|C<4>,3|C<3>}	120.1600	0.000	1	120.2945	0.036	2	120.2945	0.036	2	119.4441	0.484	8	118.0489	3.407	28	117.9193	3.452	30
762	478	643	0:SP2_SP2_SP3	C[6,6]	C[4,3x6]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[4,3x6]-4:C[6,6]-3:C[6a]-3:	C[4,3x6]-4:C[4,3x6]-4:C[6,6]-3:F-1:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6,6](C[4,3x6]C[4,3x6]2F)(C[6,6]C[4x6]F)(C[6a]C[6a]2)	C[4,3x6](C[4,3x6]C[3x6]C[4,6]F)(C[4,3x6]C[3x6]C[4,6]H)(C[6,6]C[6,6]C[6a])(F)	C[6a](C[6,6]C[4,3x6]C[6,6])(C[6a]C[6a]F)2	C[6,6](C[4,3x6]C[4,3x6]2F)(C[6,6]C[4x6]F)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>,4|F<1>}	C[4,3x6](C[4,3x6]C[3x6]C[4,6]F)(C[4,3x6]C[3x6]C[4,6]H)(C[6,6]C[6,6]C[6a])(F){1|C<4>,1|F<1>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6,6]C[4,3x6]C[6,6])(C[6a]C[6a]F)2{1|C<3>,3|C<4>,4|F<1>}	122.0160	0.000	1	122.0160	0.000	1	122.0160	0.000	1	122.0160	0.000	1	122.0160	0.000	1	118.2637	6.524	7
762	478	643	0:SP2_SP2_SP3	C[6]	C[4,5,6]	C[6a]	4:3:3:	4:3:3:4:	3:3:3:	C[4,5,6]-4:C[6]-3:C[6a]-3:	C[4,5,6]-4:C[5]-3:C[6]-3:C[4]-4:	C[6]-3:C[6a]-3:C[6a]-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)	C[4,5,6](C[4,5,6]C[4]C[6]O[5])(C[5]C[6a]C[5])(C[6]C[6a]C[6])(C[4]C[4]HH)	C[6a](C[6]C[4,5,6]C[6])(C[6a]C[6a]H)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){1|O<2>,3|C<4>,4|H<1>,7|C<3>}	C[4,5,6](C[4,5,6]C[4]C[6]O[5])(C[5]C[6a]C[5])(C[6]C[6a]C[6])(C[4]C[4]HH){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6]C[4,5,6]C[6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	117.5350	0.000	1	117.5350	0.000	1	117.5350	0.000	1	117.5350	0.000	1	117.5350	0.000	1	118.2637	6.524	7
762	478	643	0:SP2_SP2_SP3	C[6]	C[4,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[4,6]-4:C[6]-3:C[6a]-3:	N[4,6]-3:C[6]-3:C[4]-4:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6a]S[6])(C[6a]C[6a]2)	C[4,6](N[4,6]C[4]C[6])(C[6]C[6a]C[6])(C[4]C[4]HO)(H)	C[6a](C[6]C[4,6]C[6])(C[6a]C[6a]H)2	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6a]S[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[4,6](N[4,6]C[4]C[6])(C[6]C[6a]C[6])(C[4]C[4]HO)(H){1|O<1>,1|S<2>,2|C<4>,3|C<3>}	C[6a](C[6]C[4,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,3|H<1>}	114.3860	0.000	1	114.3860	0.000	1	114.3860	0.000	1	114.3860	0.000	1	115.1505	1.169	2	118.2637	6.524	7
762	478	643	0:SP2_SP2_SP3	C[6]	C[4,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	C[4,6]-4:C[6a]-3:C[6]-3:	C[4,6]-4:C[6]-3:C[6a]-3:C[4]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[4,6]C[4,6]C[6a]C[4])(C[6a]C[6a]2)(C[6]C[6]C)	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6]C[4,6]C[6])(C[6a]C[6a]H)2	C[6](C[4,6]C[4,6]C[6a]C[4])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(C[4]C[4]O){2|H<1>,4|C<4>,5|C<3>}	C[6a](C[6]C[4,6]C[6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	115.9150	0.000	1	115.9150	0.000	1	115.9150	0.000	1	115.9150	0.000	1	115.1505	1.169	2	118.2637	6.524	7
762	478	643	0:SP2_SP2_SP3	C[6]	C[4]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[4]-4:C[6]-3:	C[6]-3:C[4]-4:C[4]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]2H)(C[6]C[6]H)	C[4](C[6]C[6,6a]C[6])(C[4]C[6a]C[4]H)2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[4]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]2H)(C[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[4](C[6]C[6,6a]C[6])(C[4]C[6a]C[4]H)2(H){2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[4]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	119.3670	0.742	2	119.3313	0.279	3	119.3313	0.279	3	119.3313	0.279	3	119.3313	0.279	3	118.2637	6.524	7
762	478	643	0:SP2_SP2_SP3	C[6]	C[4]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[4]-4:C[6]-3:	C[6]-3:C[4]-4:C[4]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]2H)(C[6]C[6]H)	C[4](C[6]C[6,6a]C[6])(C[4]C[6a]C[4]H)2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[4]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]2H)(C[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[4](C[6]C[6,6a]C[6])(C[4]C[6a]C[4]H)2(H){2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[4]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	119.2600	0.000	1	119.3313	0.279	3	119.3313	0.279	3	119.3313	0.279	3	119.3313	0.279	3	118.2637	6.524	7
762	478	643	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6,6a]	3:4:1:	4:4:3:1:	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:H-1:	C[6,6,6a]-3:C[6,6]-3:C[6a]-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)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]O)(C[6a]C[6a]H)	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>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	113.8520	0.000	1	113.8520	0.000	1	113.8520	0.000	1	113.8520	0.000	1	114.2650	0.341	2	116.1911	4.633	39
762	478	643	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6,6a]	3:4:1:	4:4:3:3:	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[6,6,6a]-3:C[6,6]-3:C[6a]-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)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]O)(C[6a]C[6a]H)	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>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	114.6780	0.000	1	114.6780	0.000	1	114.6780	0.000	1	114.6780	0.000	1	114.2650	0.341	2	116.1911	4.633	39
762	478	643	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:3:	C[4,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6]-3:C[4,6]-4:C[4]-4:O[6]-2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6](C[4,6,6]C[4,6]C[4]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[4,6,6](C[6,6]C[6,6a]C[6])(C[4,6]C[4]C[6]C)(C[4]C[4]HH)(O[6]C[6])	C[6,6a](C[6,6]C[4,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[4,6,6]C[4,6]C[4]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){2|C<3>,4|C<4>,5|H<1>}	C[4,6,6](C[6,6]C[6,6a]C[6])(C[4,6]C[4]C[6]C)(C[4]C[4]HH)(O[6]C[6]){1|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6]C[4,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>,3|O<2>}	111.7715	0.135	2	111.7715	0.018	2	111.7715	0.018	2	111.7715	0.018	2	111.7715	0.018	2	116.1911	4.633	39
762	478	643	6:SP2_SP2_SP3	C[6]	C[4,3x6]	C[6,6a]	4:3:1:	4:4:4:3:	3:3:3:	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[6,6a]-3:C[6]-3:C[6a]-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)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,3x6]O)(C[6a]C[6a]H)	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>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,3x6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	118.7910	0.083	2	118.7910	0.007	2	118.7910	0.007	2	118.7910	0.007	2	118.7910	0.007	2	116.1911	4.633	39
762	478	643	6:SP2_SP2_SP3	C[6]	C[4,5,6]	C[6,6a]	4:3:1:	4:4:3:2:	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:O[5]-2:	C[6,6a]-3:C[6]-3:C[6a]-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])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,5,6]O)(C[6a]C[6a]H)	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>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	116.3690	0.000	1	116.3690	0.000	1	116.3690	0.000	1	116.3690	0.000	1	116.2030	0.055	2	116.1911	4.633	39
762	478	643	6:SP2_SP2_SP3	C[6]	C[4,5,6]	C[6,6a]	4:3:1:	4:4:3:3:	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[6,6a]-3:C[6]-3:C[6a]-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)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,5,6]O)(C[6a]C[6a]H)	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>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,5,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	116.0370	0.000	1	116.0370	0.000	1	116.0370	0.000	1	116.0370	0.000	1	116.2030	0.055	2	116.1911	4.633	39
762	478	643	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[4,6]-4:O-1:	C[4,6]-4:C[4]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:C[6a]-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)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	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>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	116.5913	1.080	3	116.5913	1.167	3	116.5913	1.167	3	116.5992	0.653	6	116.4319	3.794	31	116.1911	4.633	39
762	478	643	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[4,6]-4:O-1:	C[4,6]-4:C[6]-3:C[4]-3:Cl-1:	C[6,6a]-3:C[6]-3:C[6a]-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)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	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>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	116.6070	0.682	3	116.6070	0.465	3	116.6070	0.465	3	116.5992	0.653	6	116.4319	3.794	31	116.1911	4.633	39
762	478	643	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6,6a]-3:C[4,6]-4:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-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)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	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>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	116.2438	1.099	13	116.2438	1.208	13	115.7820	3.988	18	115.7820	3.988	18	116.4319	3.794	31	116.1911	4.633	39
762	478	643	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6,6a]-3:C[4,6]-4:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-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)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	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>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	115.9100	0.000	1	115.9100	0.000	1	115.7820	3.988	18	115.7820	3.988	18	116.4319	3.794	31	116.1911	4.633	39
762	478	643	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6,6a]-3:C[4,6]-4:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-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)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	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>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	114.2493	3.702	4	114.2493	13.703	4	115.7820	3.988	18	115.7820	3.988	18	116.4319	3.794	31	116.1911	4.633	39
762	478	643	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6,6a]	4:3:1:	3:4:3:2:	3:3:3:	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[6,6a]-3:C[6]-3:C[6a]-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])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(C[6a]C[6a]H)	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>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	114.7900	0.000	1	114.7900	0.000	1	114.7900	0.000	1	114.7900	0.000	1	116.4319	3.794	31	116.1911	4.633	39
762	478	643	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6,6a]	4:3:1:	4:4:3:1:	3:3:3:	C[4,6]-4:C[6,6a]-3:O-1:	C[3,4]-4:C[4,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-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)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	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>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	119.2255	0.346	2	119.2255	0.120	2	119.2255	0.120	2	118.4882	1.386	6	116.4319	3.794	31	116.1911	4.633	39
762	478	643	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6,6a]	4:3:1:	4:4:3:1:	3:3:3:	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[6,6a]-3:C[6]-3:C[6a]-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)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[4,6]O)(C[6a]C[6a]H)	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>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	118.8830	0.846	2	118.8830	0.715	2	118.8830	0.715	2	118.4882	1.386	6	116.4319	3.794	31	116.1911	4.633	39
762	478	643	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6,6a]	4:3:1:	4:4:3:1:	3:3:3:	C[4,6]-4:C[6,6a]-3:O-1:	C[4,6]-4:C[3,4]-4:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:C[6a]-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)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	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>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	117.3560	1.459	2	117.3560	2.130	2	117.3560	2.130	2	118.4882	1.386	6	116.4319	3.794	31	116.1911	4.633	39
762	478	762	0:SP2_SP2_SP3	C[3x6]	C[4,6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[4,6]-4:C[4,6]-4:C[3x6]-3:H-1:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Mn<5>,1|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	125.2180	1.303	3	125.0261	0.443	14	125.0261	0.443	14	124.3618	0.931	46	124.4068	1.006	47	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[3x6]	C[4,6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[4,6]-4:C[4,6]-4:C[3x6]-3:H-1:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Mn<5>,1|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<4>}	125.4232	0.177	4	125.0261	0.443	14	125.0261	0.443	14	124.3618	0.931	46	124.4068	1.006	47	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[3x6]	C[4,6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[4,6]-4:C[4,6]-4:C[3x6]-3:H-1:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Mn<6>,1|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	124.7485	0.152	2	125.0261	0.443	14	125.0261	0.443	14	124.3618	0.931	46	124.4068	1.006	47	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[3x6]	C[4,6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[4,6]-4:C[4,6]-4:C[3x6]-3:H-1:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Re<6>,1|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	124.7318	0.520	4	125.0261	0.443	14	125.0261	0.443	14	124.3618	0.931	46	124.4068	1.006	47	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[3x6]	C[4,6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[4,6]-4:C[4,6]-4:C[3x6]-3:H-1:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Re<6>,1|C<3>,4|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[3x6]C[3x6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	124.5950	0.000	1	125.0261	0.443	14	125.0261	0.443	14	124.3618	0.931	46	124.4068	1.006	47	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[3x6]	C[4,6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[4,6]-4:C[4,6]-4:C[3x6]-3:H-1:	C[3x6]-3:N[6]-3:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H)	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]Fe)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|Fe<6>,1|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]Fe)(H){1|C<3>,1|H<1>,4|C<4>}	124.9220	0.687	4	124.9220	0.472	4	124.0712	0.879	32	124.3618	0.931	46	124.4068	1.006	47	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[3x6]	C[4,6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[4,6]-4:C[4,6]-4:C[3x6]-3:H-1:	C[3x6]-3:N[6]-3:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H)	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]H)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|C<3>,3|C<4>,6|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]H)(H){1|H<1>,2|C<3>,3|C<4>}	124.1316	0.459	7	124.1316	0.211	7	124.0712	0.879	32	124.3618	0.931	46	124.4068	1.006	47	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[3x6]	C[4,6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[4,6]-4:C[4,6]-4:C[3x6]-3:H-1:	C[3x6]-3:N[6]-3:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H)	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]Os)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|Os<6>,1|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]Os)(H){1|H<1>,2|C<3>,3|C<4>}	123.2040	1.538	6	123.2040	2.366	6	124.0712	0.879	32	124.3618	0.931	46	124.4068	1.006	47	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[3x6]	C[4,6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[4,6]-4:C[4,6]-4:C[3x6]-3:H-1:	C[3x6]-3:N[6]-3:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H)	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]Pt)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|Pt<4>,1|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]Pt)(H){1|H<1>,2|C<3>,3|C<4>}	124.1613	0.665	11	124.1613	0.443	11	124.0712	0.879	32	124.3618	0.931	46	124.4068	1.006	47	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[3x6]	C[4,6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[4,6]-4:C[4,6]-4:C[3x6]-3:H-1:	C[3x6]-3:N[6]-3:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H)	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]Ru)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|Ru<6>,1|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]Ru)(H){1|H<1>,2|C<3>,3|C<4>}	124.1675	0.503	4	124.1675	0.253	4	124.0712	0.879	32	124.3618	0.931	46	124.4068	1.006	47	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[3x6]	C[4,6,6]	C[6]	4:4:3:	4:4:3:1:	3:3:1:	C[3x6]-4:C[4,6,6]-4:C[6]-3:	C[4,6]-4:C[4,6]-4:C[3x6]-3:H-1:	C[3x6]-3:C[6,6]-3:H-1:	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]C[6,6]H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6,6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]C[6,6]H){2|C<3>,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[3x6]C[3x6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6])(C[6,6]C[6,6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	126.4770	0.000	1	126.4770	0.000	1	126.4770	0.000	1	126.4770	0.000	1	124.4068	1.006	47	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4,5]	C[6]	4:3:3:	4:3:2:2:	3:3:1:	C[4,5]-4:C[6]-3:C[6]-3:	C[4,5]-4:C[6]-3:O[4]-2:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[4,5]C[4,5]O[4]O[5])(C[6]C[5a]C[6])(C[6]C[6]H)	C[4,5](C[4,5]C[5]O[4]C)(C[6]C[6]2)(O[4]O[4])(O[5]C[5])	C[6](C[6]C[4,5]C[6])(C[6]C[6]H)(H)	C[6](C[4,5]C[4,5]O[4]O[5])(C[6]C[5a]C[6])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,3|C<4>}	C[4,5](C[4,5]C[5]O[4]C)(C[6]C[6]2)(O[4]O[4])(O[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[4,5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	117.5650	0.000	1	117.5650	0.000	1	117.5650	0.000	1	117.5650	0.000	1	119.6875	9.010	2	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4,5]	C[6]	4:3:3:	4:3:2:2:	3:3:3:	C[4,5]-4:C[6]-3:C[6]-3:	C[4,5]-4:C[6]-3:O[4]-2:O[5]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[6](C[4,5]C[4,5]O[4]O[5])(C[6]C[5a]C[6])(C[6]C[6]H)	C[4,5](C[4,5]C[5]O[4]C)(C[6]C[6]2)(O[4]O[4])(O[5]C[5])	C[6](C[5a]N[5a]S[5a])(C[6]C[4,5]C[6])(C[6]C[6]O)	C[6](C[4,5]C[4,5]O[4]O[5])(C[6]C[5a]C[6])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,3|C<4>}	C[4,5](C[4,5]C[5]O[4]C)(C[6]C[6]2)(O[4]O[4])(O[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5a]N[5a]S[5a])(C[6]C[4,5]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	121.8100	0.000	1	121.8100	0.000	1	121.8100	0.000	1	121.8100	0.000	1	119.6875	9.010	2	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4]	C[6]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[4]-4:C[6]-3:	C[6]-3:C[4]-4:C[4]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]2H)(C[6]C[6]H)	C[4](C[6]C[6,6a]C[6])(C[4]C[6a]C[4]H)2(H)	C[6](C[6]C[6,6a]C[4])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]2H)(C[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[4](C[6]C[6,6a]C[6])(C[4]C[6a]C[4]H)2(H){2|H<1>,8|C<3>}	C[6](C[6]C[6,6a]C[4])(C[6]N[6]H)(H){1|H<1>,2|C<3>,3|C<4>}	123.2480	0.000	1	122.9180	0.246	3	122.9180	0.246	3	122.9180	0.246	3	122.1552	4.983	57	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4]	C[6]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[4]-4:C[6]-3:	C[6]-3:C[4]-4:C[4]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]2H)(C[6]C[6]H)	C[4](C[6]C[6,6a]C[6])(C[4]C[6a]C[4]H)2(H)	C[6](C[6]C[6,6a]C[4])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]2H)(C[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[4](C[6]C[6,6a]C[6])(C[4]C[6a]C[4]H)2(H){2|H<1>,8|C<3>}	C[6](C[6]C[6,6a]C[4])(C[6]N[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.7530	0.573	2	122.9180	0.246	3	122.9180	0.246	3	122.9180	0.246	3	122.1552	4.983	57	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4]	C[6]	4:2:3:	3:4:4:1:	3:3:1:	C[4]-4:O[6]-2:C[6]-3:	C[6]-3:C[4]-4:C[4]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[4]C[4]2H)(O[6]C[3x6])(C[6]C[6]H)	C[4](C[6]C[6]O[6])(C[4]C[4]CC)(C[4]C[4]HH)(H)	C[6](C[6]C[4]O[6])(C[6]C[3x6]O)(H)	C[6](C[4]C[4]2H)(O[6]C[3x6])(C[6]C[6]H){1|O<1>,3|H<1>,5|C<4>}	C[4](C[6]C[6]O[6])(C[4]C[4]CC)(C[4]C[4]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[4]O[6])(C[6]C[3x6]O)(H){1|H<1>,1|O<2>,4|C<4>}	124.7650	0.000	1	124.7650	0.000	1	124.7650	0.000	1	124.7650	0.000	1	122.1552	4.983	57	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	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:H-1:	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)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	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>}	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.1960	0.000	1	120.1960	0.000	1	120.1960	0.000	1	120.1960	0.000	1	122.1552	4.983	57	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:N[6]-3:C[6]-3:	C[6]-3:C[4]-4:C[4]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[4]C[4]2H)(N[6]C[6]Os)(C[6]C[6]H)	C[4](C[6]C[6]N[6])(C[4]C[4]HH)(C[4]C[4]Os)(H)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	C[6](C[4]C[4]2H)(N[6]C[6]Os)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	C[4](C[6]C[6]N[6])(C[4]C[4]HH)(C[4]C[4]Os)(H){2|C<3>,3|H<1>}	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|Os<8>,1|C<4>,2|C<3>,2|H<1>}	126.1230	0.000	1	126.1230	0.000	1	126.1230	0.000	1	124.3998	1.430	4	122.1552	4.983	57	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:N[6]-3:C[6]-3:	C[6]-3:C[4]-4:N[4]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[4]C[4]N[4]H)(N[6]C[6]Ir)(C[6]C[6]H)	C[4](C[6]C[6]N[6])(C[4]C[4]HO)(N[4]C[4]Ir)(H)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	C[6](C[4]C[4]N[4]H)(N[6]C[6]Ir)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[4](C[6]C[6]N[6])(C[4]C[4]HO)(N[4]C[4]Ir)(H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|Ir<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.4120	0.000	1	123.4120	0.000	1	123.8253	0.165	3	124.3998	1.430	4	122.1552	4.983	57	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:N[6]-3:C[6]-3:	C[6]-3:C[4]-4:N[4]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[4]C[4]N[4]H)(N[6]C[6]Os)(C[6]C[6]H)	C[4](C[6]C[6]N[6])(C[4]C[4]HO)(N[4]C[4]Os)(H)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	C[6](C[4]C[4]N[4]H)(N[6]C[6]Os)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[4](C[6]C[6]N[6])(C[4]C[4]HO)(N[4]C[4]Os)(H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|Os<7>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	124.2240	0.000	1	124.2240	0.000	1	123.8253	0.165	3	124.3998	1.430	4	122.1552	4.983	57	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[4]-4:N[6]-3:C[6]-3:	C[6]-3:C[4]-4:N[4]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[4]C[4]N[4]H)(N[6]C[6]Ru)(C[6]C[6]H)	C[4](C[6]C[6]N[6])(C[4]C[4]HO)(N[4]C[4]Ru)(H)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	C[6](C[4]C[4]N[4]H)(N[6]C[6]Ru)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[4](C[6]C[6]N[6])(C[4]C[4]HO)(N[4]C[4]Ru)(H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.8400	0.000	1	123.8400	0.000	1	123.8253	0.165	3	124.3998	1.430	4	122.1552	4.983	57	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4]	C[6]	4:3:3:	3:4:4:4:	3:3:1:	C[4]-4:N[6]-3:C[6]-3:	C[6]-3:C[4]-4:C[4]-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[4]C[4]2C)(N[6]C[6]Cu)(C[6]C[6]H)	C[4](C[6]C[6]N[6])(C[4]N[4]HH)2(CH3)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	C[6](C[4]C[4]2C)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,1|N<4>,6|H<1>}	C[4](C[6]C[6]N[6])(C[4]N[4]HH)2(CH3){1|Cu<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,3|C<4>}	122.5494	1.051	12	122.5494	1.105	12	122.4662	1.103	13	122.4662	1.103	13	122.1552	4.983	57	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4]	C[6]	4:3:3:	3:4:4:4:	3:3:1:	C[4]-4:N[6]-3:C[6]-3:	C[6]-3:C[4]-4:C[4]-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[4]C[4]2C)(N[6]C[6]Ni)(C[6]C[6]H)	C[4](C[6]C[6]N[6])(C[4]N[4]HH)2(CH3)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	C[6](C[4]C[4]2C)(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,1|N<4>,6|H<1>}	C[4](C[6]C[6]N[6])(C[4]N[4]HH)2(CH3){1|Ni<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>,3|C<4>}	121.4680	0.000	1	121.4680	0.000	1	122.4662	1.103	13	122.4662	1.103	13	122.1552	4.983	57	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4]	C[6]	4:3:3:	4:3:4:3:	3:2:1:	C[4]-4:C[6]-3:C[6]-3:	C[4]-4:C[6a]-3:C[4]-4:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[4]C[6a]C[4]2)(C[6]C[6]H)2	C[4](C[4]C[6a]O[4]O)(C[6a]C[6a]2)(C[4]O[4]HH)(C[6]C[6]2)	C[6](C[6]C[4]C[6])(C[6]C[6])(H)	C[6](C[4]C[6a]C[4]2)(C[6]C[6]H)2{2|O<2>,3|H<1>,4|C<3>}	C[4](C[4]C[6a]O[4]O)(C[6a]C[6a]2)(C[4]O[4]HH)(C[6]C[6]2){1|C<2>,4|H<1>,5|C<3>}	C[6](C[6]C[4]C[6])(C[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>}	122.3090	0.000	1	122.3090	0.000	1	122.3090	0.000	1	122.3090	0.000	1	122.1552	4.983	57	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4]	C[6]	4:3:3:	4:3:4:3:	3:3:1:	C[4]-4:C[6]-3:C[6]-3:	C[4]-4:C[6a]-3:C[4]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[4]C[6a]C[4]2)(C[6]C[6]H)2	C[4](C[4]C[6a]O[4]O)(C[6a]C[6a]2)(C[4]O[4]HH)(C[6]C[6]2)	C[6](C[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[4]C[6a]C[4]2)(C[6]C[6]H)2{2|O<2>,3|H<1>,4|C<3>}	C[4](C[4]C[6a]O[4]O)(C[6a]C[6a]2)(C[4]O[4]HH)(C[6]C[6]2){1|C<2>,4|H<1>,5|C<3>}	C[6](C[6]C[4]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	121.0680	0.000	1	121.0680	0.000	1	121.0680	0.000	1	121.0680	0.000	1	122.1552	4.983	57	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6]-3:C[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)(C[6]N[6]H)	C[4](C[4]C[4]C[6]H)(C[4]C[4]CH)(C[6]C[6]2)(H)	C[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)(C[6]N[6]H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[4]C[6]H)(C[4]C[4]CH)(C[6]C[6]2)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[4]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	120.6195	3.604	2	120.6195	12.990	2	121.1362	6.101	24	121.6772	7.293	31	122.1552	4.983	57	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6]-3:C[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)2	C[4](C[4]C[4]C[6]H)2(C[6]C[6]2)(H)	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H)	C[6](C[4]C[4]2H)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[4](C[4]C[4]C[6]H)2(C[6]C[6]2)(H){2|N<3>,3|H<1>,5|C<3>}	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2700	5.306	2	121.1374	6.887	14	121.1362	6.101	24	121.6772	7.293	31	122.1552	4.983	57	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6]-3:C[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)2	C[4](C[4]C[4]C[6]H)2(C[6]C[6]2)(H)	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H)	C[6](C[4]C[4]2H)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[4](C[4]C[4]C[6]H)2(C[6]C[6]2)(H){3|H<1>,7|C<3>}	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1153	2.361	12	121.1374	6.887	14	121.1362	6.101	24	121.6772	7.293	31	122.1552	4.983	57	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6]-3:C[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)2	C[4](C[4]C[6a]C[4]H)(C[4]C[4]C[6]H)(C[6]C[6]2)(H)	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H)	C[6](C[4]C[4]2H)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|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]2)(H){3|H<1>,7|C<3>}	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0018	2.293	4	121.0018	5.258	4	121.1362	6.101	24	121.6772	7.293	31	122.1552	4.983	57	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6]-3:C[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)2	C[4](C[4]C[6a]C[4]H)2(C[6]C[6]2)(H)	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H)	C[6](C[4]C[4]2H)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6]C[6]2)(H){3|H<1>,7|C<3>}	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2535	4.481	2	121.5247	6.938	4	121.1362	6.101	24	121.6772	7.293	31	122.1552	4.983	57	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6]-3:C[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)2	C[4](C[4]C[6a]C[4]H)2(C[6]C[6]2)(H)	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H)	C[6](C[4]C[4]2H)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6]C[6]2)(H){3|H<1>,7|C<3>}	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.7960	0.663	2	121.5247	6.938	4	121.1362	6.101	24	121.6772	7.293	31	122.1552	4.983	57	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6]-3:C[6]-3:	C[4]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]H)(C[6]N[6]H)	C[4](C[4]C[4]C[6]H)(C[4]C[4]CH)(C[6]C[6]2)(H)	C[6](C[6]C[4]C[6])(N[6]C[6]H)(H)	C[6](C[4]C[4]2H)(C[6]C[6]H)(C[6]N[6]H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[4]C[6]H)(C[4]C[4]CH)(C[6]C[6]2)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[4]C[6])(N[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	122.0635	3.514	2	122.0635	12.345	2	122.0635	12.345	2	121.6772	7.293	31	122.1552	4.983	57	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4]	C[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]C)	C[4](C[4]C[6a]C[4]H)2(C[6]C[6]N[6])(H)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	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>}	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.1930	0.103	2	121.1930	0.011	2	124.1192	7.245	5	121.6772	7.293	31	122.1552	4.983	57	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4]	C[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)	C[6](C[6]C[4]N[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>}	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	126.5870	0.000	1	126.5870	0.000	1	124.1192	7.245	5	121.6772	7.293	31	122.1552	4.983	57	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4]	C[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)	C[6](C[6]C[4]N[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>}	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	125.8115	0.161	2	125.8115	0.026	2	124.1192	7.245	5	121.6772	7.293	31	122.1552	4.983	57	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4]	C[6]	4:4:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6]-4:C[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]HH)(C[6]C[6]H)	C[4](C[4]C[4]CH)(C[4]C[4]HH)(C[6]C[6]2)(H)	C[6](C[6]C[4]C[6])(C[6]C[6]O)(H)	C[6](C[4]C[4]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[4](C[4]C[4]CH)(C[4]C[4]HH)(C[6]C[6]2)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[4]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	121.8000	0.000	1	121.8000	0.000	1	121.8000	0.000	1	121.8000	0.000	1	122.1552	4.983	57	123.1070	4.655	106
762	478	762	0:SP2_SP2_SP3	C[6]	C[4]	C[6]	4:4:3:	4:4:3:2:	3:3:1:	C[4]-4:C[6]-4:C[6]-3:	C[4]-4:C[4]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[4]C[4]2O)(C[6]C[6]HH)(C[6]C[6]H)	C[4](C[4]C[4]HH)2(C[6]C[6]2)(OH)	C[6](C[6]C[4]C[6])(C[6]C[6]O)(H)	C[6](C[4]C[4]2O)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[4](C[4]C[4]HH)2(C[6]C[6]2)(OH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[4]C[6])(C[6]C[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	122.3030	0.000	1	122.3030	0.000	1	122.3030	0.000	1	122.3030	0.000	1	122.1552	4.983	57	123.1070	4.655	106
762	478	762	6:SP2_SP2_SP3	C[3x6]	C[4,3x6]	C[3x6]	4:3:1:	3:2:3:3:	4:3:1:	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[4,3x6]-4:C[3x6]-3:H-1:	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)	C[3x6](C[4,3x6]C[4,4,6,6]C[4,6]C)(C[3x6]C[4,3x6]H)(H)	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>}	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>}	123.5580	0.000	1	123.5580	0.000	1	123.5580	0.000	1	123.5580	0.000	1	123.0770	0.463	2	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[3x6]	C[4,3x6]	C[3x6]	4:3:1:	3:2:3:4:	4:3:1:	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[4,3x6]-4:C[3x6]-3:H-1:	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)	C[3x6](C[4,3x6]C[4,4,6,6]C[4,6]C)(C[3x6]C[4,3x6]H)(H)	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>}	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>}	122.5960	0.000	1	122.5960	0.000	1	122.5960	0.000	1	122.5960	0.000	1	123.0770	0.463	2	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[3x6]	C[4,4,6,6]	C[6,6]	4:4:3:	4:4:3:3:	3:3:4:	C[4,4,6,6]-4:C[6,6]-4:C[6,6]-3:	C[3x4,6]-4:C[3x4]-4:C[6,6]-3:C[3x6]-3:	C[3x6]-3:C[6]-3:C[6]-4:	C[3x6](C[4,4,6,6]C[3x4,6]C[3x4]C[6,6])(C[6,6]C[6]2C)(C[6,6]C[6]2)	C[4,4,6,6](C[3x4,6]C[4,4,6]H[4,4]H[6])(C[3x4]C[4,4,6]H[4,4]C)(C[6,6]C[6,6]C[6])(C[3x6]C[6,6]2)	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6,6]H)(C[6]C[6]CC)	C[3x6](C[4,4,6,6]C[3x4,6]C[3x4]C[6,6])(C[6,6]C[6]2C)(C[6,6]C[6]2){1|C<2>,1|C<3>,2|H<2>,5|C<4>,5|H<1>}	C[4,4,6,6](C[3x4,6]C[4,4,6]H[4,4]H[6])(C[3x4]C[4,4,6]H[4,4]C)(C[6,6]C[6,6]C[6])(C[3x6]C[6,6]2){4|C<3>,7|C<4>}	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6,6]H)(C[6]C[6]CC){1|C<3>,2|H<1>,6|C<4>}	118.9110	0.000	1	118.9110	0.000	1	118.9110	0.000	1	118.9110	0.000	1	118.9110	0.000	1	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[3x6]	C[4,6,6]	C[3x6]	4:3:3:	4:4:3:1:	3:4:3:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[4,6]-4:C[4,6]-4:C[3x6]-3:H-1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|C<3>,3|C<4>,6|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	117.2784	0.355	7	117.0225	1.458	32	117.0225	1.458	32	116.9102	1.097	46	116.8894	1.093	47	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[3x6]	C[4,6,6]	C[3x6]	4:3:3:	4:4:3:1:	3:4:3:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[4,6]-4:C[4,6]-4:C[3x6]-3:H-1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|Fe<6>,1|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|N<3>,3|C<4>,3|H<1>}	117.0355	0.290	4	117.0225	1.458	32	117.0225	1.458	32	116.9102	1.097	46	116.8894	1.093	47	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[3x6]	C[4,6,6]	C[3x6]	4:3:3:	4:4:3:1:	3:4:3:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[4,6]-4:C[4,6]-4:C[3x6]-3:H-1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|Os<6>,1|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	118.0232	0.943	6	117.0225	1.458	32	117.0225	1.458	32	116.9102	1.097	46	116.8894	1.093	47	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[3x6]	C[4,6,6]	C[3x6]	4:3:3:	4:4:3:1:	3:4:3:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[4,6]-4:C[4,6]-4:C[3x6]-3:H-1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|Pt<4>,1|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	116.0462	1.429	11	117.0225	1.458	32	117.0225	1.458	32	116.9102	1.097	46	116.8894	1.093	47	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[3x6]	C[4,6,6]	C[3x6]	4:3:3:	4:4:3:1:	3:4:3:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[4,6]-4:C[4,6]-4:C[3x6]-3:H-1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|Ru<6>,1|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	117.7458	0.308	4	117.0225	1.458	32	117.0225	1.458	32	116.9102	1.097	46	116.8894	1.093	47	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[3x6]	C[4,6,6]	C[3x6]	4:3:3:	4:4:3:1:	3:4:3:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[4,6]-4:C[4,6]-4:C[3x6]-3:H-1:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]CH)(N[6]C[6]Re)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Re<6>,1|C<3>,4|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[3x6]C[3x6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]CH)(N[6]C[6]Re){2|C<3>,2|C<4>,3|H<1>}	116.8470	0.000	1	116.8470	0.000	1	116.6533	0.217	14	116.9102	1.097	46	116.8894	1.093	47	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[3x6]	C[4,6,6]	C[3x6]	4:3:3:	4:4:3:1:	3:4:3:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[4,6]-4:C[4,6]-4:C[3x6]-3:H-1:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Mn<5>,1|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn){1|C<3>,3|C<4>,3|H<1>}	116.4982	0.354	4	116.5177	0.121	9	116.6533	0.217	14	116.9102	1.097	46	116.8894	1.093	47	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[3x6]	C[4,6,6]	C[3x6]	4:3:3:	4:4:3:1:	3:4:3:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[4,6]-4:C[4,6]-4:C[3x6]-3:H-1:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Mn<5>,1|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn){2|C<3>,2|C<4>,3|H<1>}	116.4000	0.479	3	116.5177	0.121	9	116.6533	0.217	14	116.9102	1.097	46	116.8894	1.093	47	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[3x6]	C[4,6,6]	C[3x6]	4:3:3:	4:4:3:1:	3:4:3:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[4,6]-4:C[4,6]-4:C[3x6]-3:H-1:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Mn<6>,1|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn){2|C<3>,2|C<4>,3|H<1>}	116.7330	0.010	2	116.5177	0.121	9	116.6533	0.217	14	116.9102	1.097	46	116.8894	1.093	47	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[3x6]	C[4,6,6]	C[3x6]	4:3:3:	4:4:3:1:	3:4:3:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[4,6]-4:C[4,6]-4:C[3x6]-3:H-1:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Re)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Re<6>,1|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Re){2|C<3>,2|C<4>,3|H<1>}	116.9100	0.680	4	116.9100	0.462	4	116.6533	0.217	14	116.9102	1.097	46	116.8894	1.093	47	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[3x6]	C[4,6,6]	C[3x6]	4:3:4:	4:4:3:1:	3:4:2:	C[4,6,6]-4:C[3x6]-3:C[6]-4:	C[4,6]-4:C[4,6]-4:C[3x6]-3:H-1:	C[3x6]-3:C[6,6]-4:O[6]-2:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]O[6])(C[6]C[6]HH)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(O[6]C[3x6])	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]O[6])(C[6]C[6]HH){4|C<4>,6|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[3x6]C[3x6]C[6])(H){1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(O[6]C[3x6]){1|C<3>,4|C<4>,4|H<1>}	115.9360	0.000	1	115.9360	0.000	1	115.9360	0.000	1	115.9360	0.000	1	116.8894	1.093	47	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6,6]	C[4,3x6]	C[6,6]	4:3:1:	4:4:3:1:	3:4:1:	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[4x6]-4:F-1:	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)	C[6,6](C[6,6]C[4,3x6]F)(C[4x6]C[3x6]2H)(F)	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>}	C[6,6](C[6,6]C[4,3x6]F)(C[4x6]C[3x6]2H)(F){1|F<1>,2|C<4>,4|H<1>}	114.2880	0.000	1	114.2880	0.000	1	114.2880	0.000	1	114.2880	0.000	1	112.5045	6.362	2	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6,6]	C[4,3x6]	C[6,6]	4:3:3:	4:4:3:1:	3:4:1:	C[4,3x6]-4:C[6,6]-3:C[6a]-3:	C[4,3x6]-4:C[4,3x6]-4:C[6,6]-3:F-1:	C[6,6]-3:C[4x6]-4:F-1:	C[6,6](C[4,3x6]C[4,3x6]2F)(C[6,6]C[4x6]F)(C[6a]C[6a]2)	C[4,3x6](C[4,3x6]C[3x6]C[4,6]F)(C[4,3x6]C[3x6]C[4,6]H)(C[6,6]C[6,6]C[6a])(F)	C[6,6](C[6,6]C[4,3x6]C[6a])(C[4x6]C[3x6]2F)(F)	C[6,6](C[4,3x6]C[4,3x6]2F)(C[6,6]C[4x6]F)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>,4|F<1>}	C[4,3x6](C[4,3x6]C[3x6]C[4,6]F)(C[4,3x6]C[3x6]C[4,6]H)(C[6,6]C[6,6]C[6a])(F){1|C<4>,1|F<1>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[4,3x6]C[6a])(C[4x6]C[3x6]2F)(F){1|F<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	112.5045	6.362	2	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6,6]	C[4,4,3x6]	C[6,6]	4:3:1:	4:4:3:3:	4:3:1:	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[4,4,6,6]-4:C[6,6]-3:H-1:	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)	C[6,6](C[4,4,6,6]C[3x4,6]2H)(C[6,6]C[4,4,3x6]H)(H)	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>}	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>}	115.3870	0.000	1	115.3870	0.000	1	115.3870	0.000	1	115.3870	0.000	1	115.3870	0.000	1	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6,6]	C[4,4,6,6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	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[4,4,3x6]-4:C[6,6]-3:H-1:	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)	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[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>}	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>}	128.2480	0.000	1	128.2480	0.000	1	128.2480	0.000	1	128.2480	0.000	1	124.0640	35.012	2	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6,6]	C[4,4,6,6]	C[6,6]	4:3:4:	4:4:3:3:	3:3:4:	C[4,4,6,6]-4:C[6,6]-3:C[6]-4:	C[3x4,6]-4:C[3x4]-4:C[6,6]-3:C[3x6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](C[4,4,6,6]C[3x4,6]C[3x4]C[3x6])(C[6,6]C[6]2)(C[6]C[6]CC)	C[4,4,6,6](C[3x4,6]C[4,4,6]H[4,4]H[6])(C[3x4]C[4,4,6]H[4,4]C)(C[6,6]C[6,6]C[6])(C[3x6]C[6,6]2)	C[6,6](C[6,6]C[4,4,6,6]C[6])(C[6]C[6,6]H)(C[6]C[6]CC)	C[6,6](C[4,4,6,6]C[3x4,6]C[3x4]C[3x6])(C[6,6]C[6]2)(C[6]C[6]CC){1|C<2>,1|C<3>,2|H<2>,3|H<1>,5|C<4>}	C[4,4,6,6](C[3x4,6]C[4,4,6]H[4,4]H[6])(C[3x4]C[4,4,6]H[4,4]C)(C[6,6]C[6,6]C[6])(C[3x6]C[6,6]2){4|C<3>,7|C<4>}	C[6,6](C[6,6]C[4,4,6,6]C[6])(C[6]C[6,6]H)(C[6]C[6]CC){2|C<3>,2|H<1>,5|C<4>}	119.8800	0.000	1	119.8800	0.000	1	119.8800	0.000	1	119.8800	0.000	1	124.0640	35.012	2	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6,6]	C[4,4x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:4:	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[4,4x6]-4:C[6,6]-3:C-4:	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)	C[6,6](C[4,4x6]C[4,4,4x6]2H)(C[6,6]C[4,4x6]H)(CCHH)	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>}	C[6,6](C[4,4x6]C[4,4,4x6]2H)(C[6,6]C[4,4x6]H)(CCHH){1|C<2>,2|H<1>,3|C<4>}	117.0940	0.000	1	117.0940	0.000	1	117.0940	0.000	1	117.0940	0.000	1	114.9695	9.027	2	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6,6]	C[4,4x6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[4,4x6]-4:C[6,6]-3:C-4:	C[4,4,4x6]-4:C[4,4,4x6]-4:C[6,6]-3:H-1:	C[4,4x6]-4:C[6,6]-3:H-1:	C[6,6](C[4,4x6]C[4,4,4x6]2H)(C[6,6]C[4,4x6]H)(CCHH)	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]C)(H)	C[6,6](C[4,4x6]C[4,4,4x6]2H)(C[6,6]C[4,4x6]C)(H)	C[6,6](C[4,4x6]C[4,4,4x6]2H)(C[6,6]C[4,4x6]H)(CCHH){1|C<2>,2|H<1>,3|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]C)(H){1|C<2>,2|H<1>,3|C<4>}	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>}	112.8450	0.000	1	112.8450	0.000	1	112.8450	0.000	1	112.8450	0.000	1	114.9695	9.027	2	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6,6]	C[4,5,4x6]	C[6,6]	4:3:1:	3:3:4:3:	3:3:3:	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:	N[6,6]-3:C[6,6]-3:C[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)	C[6,6](N[6,6]C[4,5,6,6]Pt)(C[6,6]C[4,5,4x6]H)(C[6]C[6]N[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>}	C[6,6](N[6,6]C[4,5,6,6]Pt)(C[6,6]C[4,5,4x6]H)(C[6]C[6]N[6]){1|C<4>,2|H<1>,4|C<3>}	118.9600	0.000	1	118.9600	0.000	1	118.9600	0.000	1	118.9600	0.000	1	118.9600	0.000	1	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:3:	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]-4:C[6,6]-3:C-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)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(O){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>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]H){2|C<4>,2|H<1>}	115.1320	0.000	1	115.1320	0.000	1	115.9540	1.351	2	115.9540	1.351	2	116.5826	1.271	33	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:3:	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]-4:C[6,6]-3:C-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)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(O){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>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]O){2|C<4>,2|H<1>}	116.7760	0.000	1	116.7760	0.000	1	115.9540	1.351	2	115.9540	1.351	2	116.5826	1.271	33	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:3:	4:4:3:1:	4:3:1:	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]-4:C[6,6]-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[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(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[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	113.7855	0.705	2	113.7855	0.497	2	116.4701	2.357	12	116.4701	2.357	12	116.5826	1.271	33	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:3:	4:4:3:1:	4:3:1:	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]-4:C[6,6]-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[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(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[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	117.0070	0.951	10	117.0070	0.903	10	116.4701	2.357	12	116.4701	2.357	12	116.5826	1.271	33	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN)	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[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN){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[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	117.5548	0.233	5	117.5548	0.054	5	116.9051	0.566	16	116.9051	0.566	16	116.5826	1.271	33	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHO)	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[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHO){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[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	116.2000	0.000	1	116.2000	0.000	1	116.9051	0.566	16	116.9051	0.566	16	116.5826	1.271	33	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[5]CH)	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[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[5]CH){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[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	115.5420	0.000	1	115.5420	0.000	1	116.9051	0.566	16	116.9051	0.566	16	116.5826	1.271	33	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]CH)(C[6,6]C[6,6]C)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3){3|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]CH)(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	115.1650	0.000	1	115.1650	0.000	1	116.9051	0.566	16	116.9051	0.566	16	116.5826	1.271	33	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3)	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[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3){3|H<1>,4|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[6,6]C)(H){1|C<4>,2|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	117.2680	0.238	2	117.2680	0.056	2	116.9051	0.566	16	116.9051	0.566	16	116.5826	1.271	33	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3)	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[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3){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[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	116.3770	0.000	1	116.3770	0.000	1	116.9051	0.566	16	116.9051	0.566	16	116.5826	1.271	33	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3)	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[6,6](C[6,6]C[4,6,6]HN)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3){1|N<3>,3|C<4>,3|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[6,6](C[6,6]C[4,6,6]HN)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	117.3070	0.000	1	117.3070	0.000	1	116.9051	0.566	16	116.9051	0.566	16	116.5826	1.271	33	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3)	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[6,6](C[6,6]C[4,6,6]HO)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3){1|O<2>,3|C<4>,3|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[6,6](C[6,6]C[4,6,6]HO)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	116.8900	0.096	3	116.8900	0.009	3	116.9051	0.566	16	116.9051	0.566	16	116.5826	1.271	33	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CSeHH)	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[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CSeHH){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[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	116.9100	0.000	1	116.9100	0.000	1	116.9051	0.566	16	116.9051	0.566	16	116.5826	1.271	33	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:4:	4:4:3:2:	4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[4,6]-4:C[4,6]-4:C[6,6]-3:O-2:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2O)(C[6,6]C[6,6]H)(CH3)	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)(OH)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2O)(C[6,6]C[6,6]H)(CH3){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)(OH){1|C<4>,2|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){1|H<1>,1|O<2>,2|C<4>}	115.7317	0.251	3	115.7317	0.063	3	115.7317	0.063	3	115.7317	0.063	3	116.5826	1.271	33	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C[6]	4:3:2:	4:3:4:3:	3:3:1:	C[4,6,6]-4:C[6]-3:O[6]-2:	C[4,6]-4:C[6,6]-3:C[4]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]C[4]C[6])(C[6]C[6]H)(O[6]C[6])	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)	C[6](C[6,6]C[4,6,6]O[6])(C[6]C[6]O)(H)	C[6,6](C[4,6,6]C[4,6]C[4]C[6])(C[6]C[6]H)(O[6]C[6]){2|H<1>,2|O<1>,6|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>}	C[6](C[6,6]C[4,6,6]O[6])(C[6]C[6]O)(H){1|C<3>,2|H<1>,3|C<4>}	124.0640	0.000	1	124.0640	0.000	1	124.0640	0.000	1	124.0640	0.000	1	123.5663	0.246	3	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C[6]	4:3:3:	3:4:4:2:	3:4:1:	C[4,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6]-3:C[4,6]-4:C[4]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]C[4]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[4,6,6](C[6,6]C[6,6a]C[6])(C[4,6]C[4]C[6]C)(C[4]C[4]HH)(O[6]C[6])	C[6](C[6,6]C[4,6,6]C[6,6a])(C[6]C[6]HH)(H)	C[6,6](C[4,6,6]C[4,6]C[4]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){2|C<3>,4|C<4>,5|H<1>}	C[4,6,6](C[6,6]C[6,6a]C[6])(C[4,6]C[4]C[6]C)(C[4]C[4]HH)(O[6]C[6]){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[4,6,6]C[6,6a])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	123.3175	0.346	2	123.3175	0.120	2	123.3175	0.120	2	123.3175	0.120	2	123.5663	0.246	3	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,4,3x6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	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]-3:H-1:	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)	C[6](C[6]C[3,4,4,6]C)(C[6]C[4,4,3x6]H)(H)	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>}	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>}	114.5630	0.000	1	114.5630	0.000	1	114.5630	0.000	1	114.5630	0.000	1	114.5630	0.000	1	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,4,6]	C[6,6]	4:3:1:	3:3:3:3:	3:3:4:	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[6,6]-3:C[6]-4:	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)	C[6,6](C[6]C[4,4,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	C[6,6](C[6]C[4,4,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|O<3>,3|H<1>}	121.5060	0.000	1	121.5060	0.000	1	121.5060	0.000	1	121.5060	0.000	1	121.5060	0.000	1	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,4,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	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]-3:H-1:	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	C[6](C[6]C[4,4,6]H)(C[6]C[6]H)(H)	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>}	C[6](C[6]C[4,4,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	121.2420	1.230	2	121.2420	1.514	2	121.2420	1.514	2	121.2420	1.514	2	120.2640	3.626	3	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,4,6]	C[6]	4:3:2:	3:3:3:3:	3:3:2:	C[4,4,6]-4:C[6]-3:O-2:	O[5x4]-3:O[5x4]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-2:	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)	C[6](C[6,6]C[6,6]C[6])(C[6]C[4,4,6]O)(OC[6a])	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>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[4,4,6]O)(OC[6a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<3>}	118.3080	0.000	1	118.3080	0.000	1	118.3080	0.000	1	118.3080	0.000	1	120.2640	3.626	3	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,5,6,6]	C[6]	4:3:1:	4:4:2:3:	3:3:1:	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]-3:H-1:	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)	C[6](C[6]C[4,5,6,6]H)(C[6]C[6]H)(H)	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>}	C[6](C[6]C[4,5,6,6]H)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>}	121.0550	0.000	1	121.0550	0.000	1	121.0550	0.000	1	121.0550	0.000	1	120.7328	5.024	5	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,5,6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	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]-3:H-1:	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)	C[6](C[6]C[4,5,6,6]H)(C[6]C[6]H)(H)	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>}	C[6](C[6]C[4,5,6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	120.9610	0.000	1	120.9610	0.000	1	120.9610	0.000	1	118.9905	7.766	2	120.7328	5.024	5	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,5,6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	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]-3:H-1:	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)	C[6](C[6]C[4,5,6,6]H)(C[6]C[6]H)(H)	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>}	C[6](C[6]C[4,5,6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	117.0200	0.000	1	117.0200	0.000	1	117.0200	0.000	1	118.9905	7.766	2	120.7328	5.024	5	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,5,6,6]	C[6]	4:3:1:	4:4:3:3:	3:4:1:	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[3x6]-4:H-1:	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)	C[6](C[6]C[4,5,6,6]H)(C[3x6]C[3x6]2H)(H)	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>}	C[6](C[6]C[4,5,6,6]H)(C[3x6]C[3x6]2H)(H){2|C<3>,2|H<1>,4|C<4>}	123.0740	0.000	1	123.0740	0.000	1	123.0740	0.000	1	122.3140	1.155	2	120.7328	5.024	5	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,5,6,6]	C[6]	4:3:1:	4:4:3:3:	3:4:1:	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[3x6]-4:H-1:	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)	C[6](C[6]C[4,5,6,6]H)(C[3x6]C[3x6]2H)(H)	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>}	C[6](C[6]C[4,5,6,6]H)(C[3x6]C[3x6]2H)(H){2|C<3>,2|H<1>,4|C<4>}	121.5540	0.000	1	121.5540	0.000	1	121.5540	0.000	1	122.3140	1.155	2	120.7328	5.024	5	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,5,6]	C[6]	4:3:1:	4:4:3:2:	3:3:4:	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]-3:C-4:	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])	C[6](C[6]C[4,5,6]H)(C[6]C[3,6]O)(CHHO)	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>}	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>}	121.5367	0.214	3	121.5367	0.046	3	121.5367	0.046	3	121.5367	0.046	3	121.8756	1.171	10	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,5,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	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]-3:H-1:	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)	C[6](C[6]C[4,5,6]H)(C[6]C[6]H)(H)	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>}	C[6](C[6]C[4,5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	122.2360	0.677	4	122.2360	0.458	4	122.2360	0.458	4	122.2360	0.458	4	121.8756	1.171	10	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,5,6]	C[6]	4:3:1:	4:4:3:3:	3:4:1:	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]-4:H-1:	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)	C[6](C[6]C[4,5,6]H)(C[6]C[6]HO)(H)	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>}	C[6](C[6]C[4,5,6]H)(C[6]C[6]HO)(H){1|N<3>,2|C<4>,2|H<1>}	123.6190	0.000	1	123.6190	0.000	1	123.6190	0.000	1	123.6190	0.000	1	121.8756	1.171	10	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:1:	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]-4:H-1:	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)	C[6](C[6]C[4,5,6]O)(C[6]C[6]HH)(H)	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>}	C[6](C[6]C[4,5,6]O)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	119.6050	0.000	1	119.6050	0.000	1	119.6050	0.000	1	119.6050	0.000	1	121.8756	1.171	10	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,5,6]	C[6]	4:3:3:	4:3:3:4:	3:4:3:	C[4,5,6]-4:C[6]-3:C[6a]-3:	C[4,5,6]-4:C[5]-3:C[6]-3:C[4]-4:	C[6]-3:C[3,6]-4:C[6a]-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)	C[4,5,6](C[4,5,6]C[4]C[6]O[5])(C[5]C[6a]C[5])(C[6]C[6a]C[6])(C[4]C[4]HH)	C[6](C[6]C[4,5,6]C[6a])(C[3,6]C[3]2C[6])(C[6a]C[6a]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){1|O<2>,3|C<4>,4|H<1>,7|C<3>}	C[4,5,6](C[4,5,6]C[4]C[6]O[5])(C[5]C[6a]C[5])(C[6]C[6a]C[6])(C[4]C[4]HH){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	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>}	121.9780	0.000	1	121.9780	0.000	1	121.9780	0.000	1	121.9780	0.000	1	121.8756	1.171	10	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6,6]	C[6]	4:3:1:	4:4:4:3:	3:4:1:	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]-4:H-1:	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)	C[6](C[6]C[4,6,6]H)(C[6]N[6,6]HH)(H)	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>}	C[6](C[6]C[4,6,6]H)(C[6]N[6,6]HH)(H){4|C<4>}	123.5270	0.000	1	123.5270	0.000	1	123.5270	0.000	1	123.5270	0.000	1	123.5270	0.000	1	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	3:4:3:1:	3:3:3:	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[6a]-3:N[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)	C[6](C[6]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C)	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>}	C[6](C[6]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,4|C<3>,4|H<1>}	122.4130	0.000	1	122.4130	0.000	1	122.4130	0.000	1	122.4130	0.000	1	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	3:4:3:1:	3:4:1:	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]-4:H-1:	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)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)	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>}	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	119.1430	0.000	1	119.1430	0.000	1	119.1430	0.000	1	119.1430	0.000	1	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:2:3:1:	4:3:1:	C[4,6]-4:C[6]-3:H-1:	C[4,4,6]-4:H[4]-2:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	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)	C[6](C[3,6]C[3,4,6]O[3,4]C)(C[6]C[4,6]H)(H)	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>}	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>}	116.5840	0.000	1	116.5840	0.000	1	116.5840	0.000	1	116.5840	0.000	1	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:2:3:3:	3:3:1:	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]-3:Cl-1:	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	C[6](C[6]C[4,6]H)(C[6]C[6]O)(Cl)	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>}	C[6](C[6]C[4,6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	121.8430	0.013	2	121.8430	0.000	2	121.8430	0.000	2	121.8430	0.000	2	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[4,6]-4:C[6]-3:H-1:	C[4,6,6]-4:C[4]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:Br-1:	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)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[4,6]H)(Br)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6a]Br)(H){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>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[4,6]H)(Br){1|C<4>,2|H<1>,3|C<3>}	122.4600	0.000	1	122.4600	0.000	1	122.4600	0.000	1	123.2747	0.500	3	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[4,6]-4:C[6]-3:H-1:	C[4,6,6]-4:C[4]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[4,6]H)(H)	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>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[4,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	123.7240	0.000	1	123.7240	0.000	1	123.6820	0.004	2	123.2747	0.500	3	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[4,6]-4:C[6]-3:H-1:	C[4,6,6]-4:C[4]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[4,6]H)(H)	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>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[4,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	123.6400	0.000	1	123.6400	0.000	1	123.6820	0.004	2	123.2747	0.500	3	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:3:3:1:	3:4:1:	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]-4:H-1:	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)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)	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>}	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	121.2450	0.000	1	121.2450	0.000	1	121.2450	0.000	1	121.2450	0.000	1	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:3:3:1:	3:4:3:	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]-4:C-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)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(COO)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]C)(H){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>}	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,3|H<1>}	122.0540	0.000	1	122.0540	0.000	1	122.0540	0.000	1	122.0540	0.000	1	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:3:3:1:	3:4:4:	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]-4:C-4:	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)	C[6](C[6]C[4,6]H)(C[6]C[6]HO)(CH3)	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>}	C[6](C[6]C[4,6]H)(C[6]C[6]HO)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.4040	0.082	2	122.4040	0.007	2	122.4040	0.007	2	122.4040	0.007	2	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[4,6]-4:C[6]-3:H-1:	C[4,5,6]-4:C[4]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	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)	C[6](C[6]C[5,6]CH)(C[6]C[4,6]H)(H)	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>}	C[6](C[6]C[5,6]CH)(C[6]C[4,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	123.2150	0.000	1	123.2150	0.000	1	123.2150	0.000	1	123.5535	0.229	2	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	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)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]H)(H)	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>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]H)(H){1|C<3>,3|C<4>,4|H<1>}	123.8920	0.000	1	123.8920	0.000	1	123.8920	0.000	1	123.5535	0.229	2	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:3:3:1:	4:3:3:	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]-4:C[6]-3:C-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)	C[6](C[6]C[5,6]HH)(C[6]C[4,6]H)(CCO)	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[6]C)(H){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>}	C[6](C[6]C[5,6]HH)(C[6]C[4,6]H)(CCO){1|C<3>,2|C<4>,2|H<1>}	124.7860	0.000	1	124.7860	0.000	1	124.7860	0.000	1	124.7860	0.000	1	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:3:3:1:	4:3:4:	C[4,6]-4:C[6]-3:H-1:	C[4,5,6]-4:C[4]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	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)	C[6](C[6]C[5,6]CH)(C[6]C[4,6]H)(CH3)	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>}	C[6](C[6]C[5,6]CH)(C[6]C[4,6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	123.5480	0.000	1	123.5480	0.000	1	123.5480	0.000	1	123.5480	0.000	1	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:3:3:2:	4:3:1:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4,6a]-3:C[6]-3:O-2:	C[4,6]-4:C[6]-3:H-1:	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)	C[6](C[4,6]C[4,6a]C[4,6]O)(C[6]C[4,6]H)(H)	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>}	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>}	125.0360	0.089	2	125.0360	0.008	2	125.0360	0.008	2	125.0360	0.008	2	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[4,6]-4:C[6]-3:H-1:	C[4]-4:C[4]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	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	C[6](C[6]C[4,6]H)(N[6]C[6]S)(H)	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>}	C[6](C[6]C[4,6]H)(N[6]C[6]S)(H){1|C<4>,1|H<1>,2|C<3>}	123.8770	0.205	2	123.8770	0.042	2	123.8770	0.042	2	123.6645	0.136	4	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	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]-3:H-1:	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)	C[6](C[6]C[4,6]H)(C[6]C[6]O)(H)	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>}	C[6](C[6]C[4,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	123.4520	0.430	2	123.4520	0.185	2	123.4520	0.185	2	123.6645	0.136	4	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	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:N[6]-3:H-1:	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)	C[6](C[6]C[4,6]H)(N[6]C[6]C)(H)	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>}	C[6](C[6]C[4,6]H)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	121.1020	0.000	1	121.1020	0.000	1	121.1020	0.000	1	119.3446	5.634	14	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4,5]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	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)	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]H)(H)	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>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]H)(H){1|H<1>,1|O<1>,4|C<4>}	123.6340	0.000	1	123.6340	0.000	1	123.6340	0.000	1	119.3446	5.634	14	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	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]-3:H-1:	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)	C[6](C[6]C[4,6]H)(C[6]N[6]O)(H)	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>}	C[6](C[6]C[4,6]H)(C[6]N[6]O)(H){1|Cl<1>,1|H<1>,2|C<4>}	121.3745	0.359	2	121.3745	0.129	2	121.3745	0.129	2	119.3446	5.634	14	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	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]-3:H-1:	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)	C[6](C[6]C[4,6]H)(C[6]N[6]O)(H)	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>}	C[6](C[6]C[4,6]H)(C[6]N[6]O)(H){1|H<1>,3|C<4>}	121.9770	0.000	1	121.9770	0.000	1	121.9770	0.000	1	119.3446	5.634	14	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:Si[4]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]H)(H)	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]H)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	118.2860	0.000	1	118.2860	0.000	1	118.2860	0.000	1	119.3446	5.634	14	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	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]-3:H-1:	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)	C[6](C[6]C[4,6]O)(C[6]C[6]O)(H)	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>}	C[6](C[6]C[4,6]O)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	118.9580	1.474	2	118.9580	2.172	2	118.9580	2.172	2	119.3446	5.634	14	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	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]-3:H-1:	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)	C[6](C[6]C[4,6]O)(C[6]C[6]H)(H)	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>}	C[6](C[6]C[4,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	117.3920	0.000	1	117.3920	0.000	1	117.3920	0.000	1	119.3446	5.634	14	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	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]-3:H-1:	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)	C[6](C[6]C[4,6]O)(C[6]C[6,6]C)(H)	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>}	C[6](C[6]C[4,6]O)(C[6]C[6,6]C)(H){1|H<1>,1|O<2>,3|C<4>}	119.2100	0.000	1	119.2100	0.000	1	119.1390	0.010	2	119.3446	5.634	14	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	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]-3:H-1:	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)	C[6](C[6]C[4,6]O)(C[6]C[6,6]H)(H)	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>}	C[6](C[6]C[4,6]O)(C[6]C[6,6]H)(H){1|H<1>,1|N<3>,3|C<4>}	119.0680	0.000	1	119.0680	0.000	1	119.1390	0.010	2	119.3446	5.634	14	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	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]-3:H-1:	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)	C[6](C[6]C[4,6]O)(C[6]C[6]H)(H)	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>}	C[6](C[6]C[4,6]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	118.1570	0.000	1	118.1570	0.000	1	118.1570	0.000	1	119.3446	5.634	14	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	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]-3:Cl-1:	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)	C[6](C[6]C[4,6]O)(C[6]C[6]Cl)(Cl)	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>}	C[6](C[6]C[4,6]O)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|O<1>,2|C<4>}	115.1660	0.000	1	115.1660	0.000	1	115.6670	0.502	2	119.3446	5.634	14	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	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]-3:Cl-1:	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)	C[6](C[6]C[4,6]O)(C[6]C[6]Cl)(Cl)	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>}	C[6](C[6]C[4,6]O)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|O<1>,2|C<4>}	116.1680	0.000	1	116.1680	0.000	1	115.6670	0.502	2	119.3446	5.634	14	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C-4:	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)	C[6](C[5,6]C[5,6]N[5])(C[6]C[4,6]H)(CH3)	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>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[4,6]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	125.5770	0.239	4	125.5770	0.057	4	125.5770	0.057	4	125.5770	0.057	4	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	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]-4:H-1:	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)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)	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>}	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	117.9600	0.000	1	117.9600	0.000	1	117.9600	0.000	1	117.9600	0.000	1	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	3:4:4:	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]-4:C-4:	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)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(CHHO)	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>}	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(CHHO){1|O<2>,2|C<4>,2|H<1>}	122.7260	0.000	1	122.7260	0.000	1	122.7260	0.000	1	122.7260	0.000	1	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[4,6]-4:C[6]-3:H-1:	C[4,5,5,6]-4:C[4]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	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)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[4,6]H)(H)	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>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[4,6]H)(H){3|C<4>,3|H<1>}	119.7360	0.000	1	119.7360	0.000	1	119.7360	0.000	1	123.0404	3.643	5	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:	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)	C[6](C[3x6]C[3x6]2H)(C[6]C[4,6]H)(H)	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>}	C[6](C[3x6]C[3x6]2H)(C[6]C[4,6]H)(H){1|C<3>,3|H<1>,4|C<4>}	123.9750	0.000	1	123.9750	0.000	1	123.9750	0.000	1	123.0404	3.643	5	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	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)	C[6](C[5,6]C[6]S[5]2)(C[6]C[4,6]H)(H)	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>}	C[6](C[5,6]C[6]S[5]2)(C[6]C[4,6]H)(H){1|H<1>,1|O<1>,4|C<4>}	123.5880	0.000	1	123.5880	0.000	1	123.8303	0.453	3	123.0404	3.643	5	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	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)	C[6](C[5,6]C[6]S[5]2)(C[6]C[4,6]H)(H)	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>}	C[6](C[5,6]C[6]S[5]2)(C[6]C[4,6]H)(H){1|H<1>,1|O<1>,4|C<4>}	123.3120	0.000	1	123.3120	0.000	1	123.8303	0.453	3	123.0404	3.643	5	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	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)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[4,6]H)(H)	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>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[4,6]H)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	124.5910	0.000	1	124.5910	0.000	1	123.8303	0.453	3	123.0404	3.643	5	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	4:3:2:	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]-4:C[6]-3:O-2:	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)	C[6](C[6]C[6,6]HH)(C[6]C[4,6]H)(OC)	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>}	C[6](C[6]C[6,6]HH)(C[6]C[4,6]H)(OC){2|H<1>,3|C<4>}	120.8080	0.000	1	120.8080	0.000	1	120.8080	0.000	1	120.8080	0.000	1	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	4:3:4:	C[4,6]-4:C[6]-3:H-1:	C[4,6,6]-4:B[4]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	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)	C[6](C[6]C[6,6]HH)(C[6]C[4,6]H)(CH3)	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>}	C[6](C[6]C[6,6]HH)(C[6]C[4,6]H)(CH3){1|B<4>,2|C<4>,2|H<1>}	123.8530	0.000	1	123.8530	0.000	1	124.2453	0.206	3	124.2453	0.206	3	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	4:3:4:	C[4,6]-4:C[6]-3:H-1:	C[4,6,6]-4:B[4]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	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)	C[6](C[6]C[6,6]HH)(C[6]C[4,6]H)(CH3)	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>}	C[6](C[6]C[6,6]HH)(C[6]C[4,6]H)(CH3){1|B<4>,2|C<4>,2|H<1>}	124.4415	0.425	2	124.4415	0.181	2	124.2453	0.206	3	124.2453	0.206	3	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]H)(H)	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.5780	0.000	1	122.5780	0.000	1	122.5780	0.000	1	122.7235	0.042	2	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	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]-3:H-1:	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])	C[6](C[6]C[5,6,6]O)(C[6]C[4,6]H)(H)	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>}	C[6](C[6]C[5,6,6]O)(C[6]C[4,6]H)(H){1|H<1>,1|O<2>,3|C<4>}	122.8690	0.000	1	122.8690	0.000	1	122.8690	0.000	1	122.7235	0.042	2	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[4,6]-4:C[6]-3:H-1:	C[4,5,6]-4:C[4]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]H)(H)	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	123.7100	0.000	1	123.7100	0.000	1	123.7100	0.000	1	121.2010	12.590	2	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	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]-3:H-1:	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)	C[6](C[6]C[4,6]O)(C[6]C[6]H)(H)	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>}	C[6](C[6]C[4,6]O)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>}	118.6920	0.000	1	118.6920	0.000	1	118.6920	0.000	1	121.2010	12.590	2	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	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]-3:H-1:	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)	C[6](C[6]C[4,6]H)(C[6]N[6]O)(H)	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>}	C[6](C[6]C[4,6]H)(C[6]N[6]O)(H){1|H<1>,3|C<4>}	122.9920	0.000	1	122.9920	0.000	1	122.9920	0.000	1	122.9920	0.000	1	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	4:4:3:4:	3:3:4:	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]-3:C-4:	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)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(CH3)	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>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(CH3){4|C<4>}	123.6890	0.000	1	123.6890	0.000	1	123.6890	0.000	1	123.6890	0.000	1	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	6:4:3:1:	3:3:4:	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]-3:C-4:	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)	C[6](C[6]C[4,6]H)(C[6]C[6]O)(CH3)	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>}	C[6](C[6]C[4,6]H)(C[6]C[6]O)(CH3){1|C<4>,1|C<6>,3|H<1>}	125.6730	0.000	1	125.6730	0.000	1	125.6730	0.000	1	125.6730	0.000	1	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	6:4:4:3:	3:3:1:	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]-3:H-1:	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)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	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>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|C<6>,1|H<1>,2|C<4>}	118.7790	0.000	1	118.7790	0.000	1	119.0045	0.102	2	119.0045	0.102	2	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:	6:4:4:3:	3:3:1:	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]-3:H-1:	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)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	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>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|C<6>,1|H<1>,2|C<4>}	119.2300	0.000	1	119.2300	0.000	1	119.0045	0.102	2	119.0045	0.102	2	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:2:	4:4:2:3:	3:3:1:	C[4,6]-4:C[6]-3:N-2:	C[4]-4:C[4]-4:O[6]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	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)	C[6](C[6]C[4,6]N)(C[6]C[5,6]H)(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>}	C[6](C[6]C[4,6]N)(C[6]C[5,6]H)(H){2|O<2>,3|C<4>}	116.0750	0.894	2	116.0750	0.799	2	116.0750	0.799	2	116.0750	0.799	2	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:2:	4:4:3:1:	3:3:1:	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[6]-3:H-1:	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)	C[6](C[6]C[4,6]O)(C[6]C[6]O)(H)	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>}	C[6](C[6]C[4,6]O)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	125.1290	0.000	1	125.1290	0.000	1	125.1290	0.000	1	122.5570	13.230	2	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:2:	4:4:3:1:	3:3:1:	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[6]-3:H-1:	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)	C[6](C[6]C[4,6]O)(C[6]O[6]O)(H)	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>}	C[6](C[6]C[4,6]O)(C[6]O[6]O)(H){1|H<1>,2|C<4>}	119.9850	0.000	1	119.9850	0.000	1	119.9850	0.000	1	122.5570	13.230	2	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:3:	3:3:4:1:	3:3:2:	C[4,6]-4:C[6]-3:C[6a]-3:	N[4,6]-3:C[6]-3:C[4]-4:H-1:	C[6]-3:C[6a]-3:S[6]-2:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6a]S[6])(C[6a]C[6a]2)	C[4,6](N[4,6]C[4]C[6])(C[6]C[6a]C[6])(C[4]C[4]HO)(H)	C[6](C[6]C[4,6]C[6a])(C[6a]C[6a]2)(S[6]C[6])	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6a]S[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[4,6](N[4,6]C[4]C[6])(C[6]C[6a]C[6])(C[4]C[4]HO)(H){1|O<1>,1|S<2>,2|C<4>,3|C<3>}	C[6](C[6]C[4,6]C[6a])(C[6a]C[6a]2)(S[6]C[6]){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	122.6690	0.000	1	122.6690	0.000	1	122.6690	0.000	1	122.6690	0.000	1	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:3:	4:3:3:3:	3:4:4:	C[4,6]-4:C[6a]-3:C[6]-3:	C[4,6]-4:C[6]-3:C[6a]-3:C[4]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[4,6]C[4,6]C[6a]C[4])(C[6a]C[6a]2)(C[6]C[6]C)	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(C[4]C[4]O)	C[6](C[6]C[4,6]C[6a])(C[6]C[6]HH)(CH3)	C[6](C[4,6]C[4,6]C[6a]C[4])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(C[4]C[4]O){2|H<1>,4|C<4>,5|C<3>}	C[6](C[6]C[4,6]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,5|C<3>}	122.7630	0.000	1	122.7630	0.000	1	122.7630	0.000	1	122.7630	0.000	1	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	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[6]-3:H-1:	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[6](C[6]C[4,6]C)(C[6]C[6]H)(H)	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[6](C[6]C[4,6]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	116.3860	0.163	2	116.3860	0.026	2	116.3860	0.026	2	116.3860	0.026	2	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:3:	4:4:3:1:	4:3:1:	C[4,6]-4:C[6]-3:C-3:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-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[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H)	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[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H){4|C<4>,4|H<1>}	124.0740	0.000	1	124.0740	0.000	1	124.0740	0.000	1	124.0740	0.000	1	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:3:	4:4:3:2:	4:3:1:	C[4,6]-4:C[6]-3:C-3:	C[4,6]-4:C[4]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-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[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H)	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[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H){1|O<2>,3|H<1>,4|C<4>}	123.2770	0.042	2	123.2770	0.002	2	123.2770	0.002	2	123.2770	0.002	2	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[4,6]-4:C[6]-3:C-4:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(CH3)	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[4]CH)(C[6]C[6]C)(H)	C[6](C[6]C[4,6]C)(C[6]C[6]C)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[4]CH)(C[6]C[6]C)(H){2|C<3>,3|H<1>}	C[6](C[6]C[4,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>}	118.6470	0.000	1	118.6470	0.000	1	118.6470	0.000	1	118.6470	0.000	1	121.7167	7.982	74	119.3866	11.218	189
762	478	762	6:SP2_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:4:	4:4:3:1:	3:4:1:	C[4,6]-4:C[6]-3:C-4:	C[4,5]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]H)(CH3)	C[4,6](C[4,5]C[4,5]C[6a]O[5])(C[4,6]C[4,5]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[4,6]C)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[4,6](C[4,5]C[4,5]C[6a]O[5])(C[4,6]C[4,5]C[6]H)(C[6]C[6]C)(H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	120.7945	0.947	2	120.7945	0.896	2	120.7945	0.896	2	120.7945	0.896	2	121.7167	7.982	74	119.3866	11.218	189