762	466	770	0:SP2_SP2_SP3	C[6]	C[6,6]	B	4:3:3:	4:3:3:1:	3:3:3:	C[6,6]-4:C[6]-3:B-3:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(BC[6a]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]B)(C[6]C[6]H)(H)	B(C[6]C[6,6]C[6])(C[6a]C[6a]2)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(BC[6a]2){3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]B)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	B(C[6]C[6,6]C[6])(C[6a]C[6a]2)2	125.5780	0.000	1	125.5780	0.000	1	125.5780	0.000	1	125.5780	0.000	1	125.5780	0.000	1	125.5780	0.000	1
762	466	790	0:SP2_SP-NON_SP3	C[6,6]	C[3x6]	Cl	4:2:1:	4:4:3:1:	3:	C[3x6]-4:N[6,6]-2:Cl-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:Cl-1:	C[6,6]-3:	C[6,6](C[3x6]C[5,6,6]2Cl)(N[6,6]C[3x6])(Cl)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]H)2(C[6,6]N[6,6]Cl)(Cl)	Cl(C[6,6]C[3x6]N[6,6])	C[6,6](C[3x6]C[5,6,6]2Cl)(N[6,6]C[3x6])(Cl){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]H)2(C[6,6]N[6,6]Cl)(Cl){2|H<1>,3|C<4>,4|C<3>}	Cl(C[6,6]C[3x6]N[6,6])	120.8030	0.000	1	120.8030	0.000	1	120.8030	0.000	1	120.8030	0.000	1	121.7490	0.636	27	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6,6]	C[3x6]	Cl	4:3:1:	4:3:3:1:	3:	C[3x6]-4:C[5,6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[6,6]-3:	C[6,6](C[3x6]C[3x6]C[6,6]Cl)(C[5,6,6]C[5,3x6]C[5])(Cl)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[5,6,6]Cl)(C[6,6]C[6,6]Cl)(Cl)	Cl(C[6,6]C[5,6,6]C[3x6])	C[6,6](C[3x6]C[3x6]C[6,6]Cl)(C[5,6,6]C[5,3x6]C[5])(Cl){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[5,6,6]Cl)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	Cl(C[6,6]C[5,6,6]C[3x6])	122.4335	0.329	2	122.4335	0.108	2	122.4335	0.108	2	121.4635	0.441	14	121.7490	0.636	27	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6,6]	C[3x6]	Cl	4:3:1:	4:3:3:1:	3:	C[3x6]-4:C[6,6]-3:Cl-1:	C[3,6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[6,6]C[3x6]H)(Cl)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]Cl)(N[6,6]O[6,6]C)(H)	Cl(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[6,6]C[3x6]H)(Cl){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]Cl)(N[6,6]O[6,6]C)(H){1|C<4>,1|O<1>,3|H<1>}	Cl(C[6,6]C[3x6]C[6,6])	119.9770	0.000	1	119.9770	0.000	1	119.9770	0.000	1	121.4635	0.441	14	121.7490	0.636	27	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6,6]	C[3x6]	Cl	4:3:1:	4:3:3:1:	3:	C[3x6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[6,6]-3:	C[6,6](C[3x6]C[3x6]C[6,6]Cl)(C[6,6]C[5,3x6]Cl)(Cl)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[5,6,6]Cl)(C[6,6]C[6,6]Cl)(Cl)	Cl(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[3x6]C[6,6]Cl)(C[6,6]C[5,3x6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[5,6,6]Cl)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	Cl(C[6,6]C[3x6]C[6,6])	121.8885	0.469	2	121.8885	0.220	2	121.8885	0.220	2	121.4635	0.441	14	121.7490	0.636	27	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6,6]	C[3x6]	Cl	4:3:1:	4:3:3:1:	3:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[6,6]-3:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl)	Cl(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|O<2>}	Cl(C[6,6]C[3x6]C[6,6])	121.4037	0.519	3	121.3883	0.118	6	121.3187	0.095	9	121.4635	0.441	14	121.7490	0.636	27	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6,6]	C[3x6]	Cl	4:3:1:	4:3:3:1:	3:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[6,6]-3:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl)	Cl(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	Cl(C[6,6]C[3x6]C[6,6])	121.3730	0.161	3	121.3883	0.118	6	121.3187	0.095	9	121.4635	0.441	14	121.7490	0.636	27	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6,6]	C[3x6]	Cl	4:3:1:	4:3:3:1:	3:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[6,6]-3:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl)	Cl(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	Cl(C[6,6]C[3x6]C[6,6])	121.1793	0.204	3	121.1793	0.042	3	121.3187	0.095	9	121.4635	0.441	14	121.7490	0.636	27	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6,6]	C[3x6]	Cl	4:3:1:	4:4:3:1:	3:	C[3x6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(Cl)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(H)	Cl(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(Cl){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(H){2|C<4>,3|C<3>,3|H<1>}	Cl(C[6,6]C[3x6]C[6,6])	120.0570	0.000	1	120.0570	0.000	1	120.0570	0.000	1	122.1608	0.613	12	121.7490	0.636	27	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6,6]	C[3x6]	Cl	4:3:1:	4:4:3:1:	3:	C[3x6]-4:C[6,6]-3:Cl-1:	C[4x6]-4:C[4x6]-4:C[6,6]-3:Cl-1:	C[6,6]-3:	C[6,6](C[3x6]C[4x6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	C[3x6](C[4x6]C[3x6]C[4x6]H)2(C[6,6]C[6,6]Cl)(Cl)	Cl(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[4x6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,2|H<1>,4|C<4>}	C[3x6](C[4x6]C[3x6]C[4x6]H)2(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,2|C<3>,4|H<1>,5|C<4>}	Cl(C[6,6]C[3x6]C[6,6])	122.3325	0.619	2	122.3325	0.383	2	122.3325	0.383	2	122.1608	0.613	12	121.7490	0.636	27	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6,6]	C[3x6]	Cl	4:3:1:	4:4:3:1:	3:	C[3x6]-4:C[6,6]-3:Cl-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:Cl-1:	C[6,6]-3:	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]Cl)(Cl)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl)	Cl(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,3|C<4>,3|H<1>}	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	Cl(C[6,6]C[3x6]C[6,6])	122.4055	0.916	2	122.4817	0.233	6	122.4817	0.233	6	122.1608	0.613	12	121.7490	0.636	27	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6,6]	C[3x6]	Cl	4:3:1:	4:4:3:1:	3:	C[3x6]-4:C[6,6]-3:Cl-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:Cl-1:	C[6,6]-3:	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]Cl)(Cl)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl)	Cl(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,3|C<4>,3|H<1>}	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,4|C<4>,4|H<1>}	Cl(C[6,6]C[3x6]C[6,6])	122.5198	0.321	4	122.4817	0.233	6	122.4817	0.233	6	122.1608	0.613	12	121.7490	0.636	27	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6,6]	C[3x6]	Cl	4:3:1:	4:4:3:1:	3:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:Cl-1:	C[6,6]-3:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Cl)(Cl)	Cl(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	Cl(C[6,6]C[3x6]C[6,6])	122.1060	0.206	3	122.1060	0.042	3	122.1060	0.042	3	122.1608	0.613	12	121.7490	0.636	27	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6]	C[6,6]	Cl	4:3:1:	3:4:3:3:	3:	C[6,6]-4:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-4:C[6]-3:N[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]H)(Cl)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]Cl)(N[6]C[6]C)	Cl(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]H)(Cl){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]Cl)(N[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	Cl(C[6]C[6,6]C[6])	114.6560	0.000	1	114.6560	0.000	1	114.6560	0.000	1	114.6560	0.000	1	114.6560	0.000	1	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6]	C[6]	Cl	3:4:1:	4:3:1:1:	3:	C[5,6]-3:C[6]-4:Cl-1:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[5,6]ClH)(Cl)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]Cl)(Cl)(H)	Cl(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[5,6]ClH)(Cl){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]Cl)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	Cl(C[6]C[5,6]C[6])	115.5910	0.000	1	115.5910	0.000	1	115.5910	0.000	1	114.2723	1.638	3	114.3941	1.737	24	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6]	C[6]	Cl	3:4:1:	4:3:1:1:	3:	C[6]-3:C[6]-4:Cl-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(Cl)	C[6](C[6]C[6,6]HH)(C[6]C[6]Cl)(H)2	Cl(C[6]C[6]2)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(Cl){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]Cl)(H)2{1|C<3>,3|C<4>}	Cl(C[6]C[6]2)	113.0350	0.000	1	113.0350	0.000	1	113.6130	0.668	2	114.2723	1.638	3	114.3941	1.737	24	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6]	C[6]	Cl	3:4:1:	4:3:1:1:	3:	C[6]-3:C[6]-4:Cl-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(Cl)	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(H)2	Cl(C[6]C[6]2)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(Cl){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(H)2{1|C<4>,3|H<1>}	Cl(C[6]C[6]2)	114.1910	0.000	1	114.1910	0.000	1	113.6130	0.668	2	114.2723	1.638	3	114.3941	1.737	24	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6]	C[6]	Cl	4:2:1:	3:2:1:1:	3:	C[6]-4:S[6]-2:Cl-1:	C[6]-3:S[6]-2:Cl-1:Cl-1:	C[6]-3:	C[6](C[6]S[6]Cl2)(S[6]C[5,6])(Cl)	C[6](C[6]S[6]Cl)(S[6]C[5,6])(Cl)2	Cl(C[6]C[6]S[6])	C[6](C[6]S[6]Cl2)(S[6]C[5,6])(Cl){1|Cl<1>,1|C<4>,1|S<2>}	C[6](C[6]S[6]Cl)(S[6]C[5,6])(Cl)2{1|Cl<1>,1|C<4>,1|S<2>}	Cl(C[6]C[6]S[6])	110.8240	0.000	1	110.8240	0.000	1	110.8240	0.000	1	110.8240	0.000	1	114.3941	1.737	24	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6]	C[6]	Cl	4:2:1:	4:3:3:1:	3:	C[6]-4:N[6]-2:Cl-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5,6]C[6a]H)(N[6]O[6])(Cl)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Cl)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]C[5,6]C[6a]H)(N[6]O[6])(Cl){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Cl)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	Cl(C[6]C[6]N[6])	115.5870	0.000	1	115.5870	0.000	1	115.5870	0.000	1	115.5870	0.000	1	114.3941	1.737	24	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:	3:3:1:1:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)2(H)2	Cl(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]N[6]H)(Cl){1|Cl<1>,1|B<3>,1|C<3>}	C[6](C[6]C[6]Cl)2(H)2{1|N<3>,2|H<1>}	Cl(C[6]C[6]2)	115.5448	0.247	4	115.5448	0.061	4	115.5678	0.048	5	115.5678	0.048	5	114.3941	1.737	24	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:	3:3:1:1:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(C[6]O[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H)2	Cl(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]O[6]H)(Cl){1|C<3>,1|S<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H)2{1|C<4>,1|H<1>,1|O<2>}	Cl(C[6]C[6]2)	115.6600	0.000	1	115.6600	0.000	1	115.5678	0.048	5	115.5678	0.048	5	114.3941	1.737	24	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:	3:3:2:2:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-3:C[6]-3:C-2:O-2:	C[6]-3:	C[6](C[6]C[6]CO)(C[6]C[6]Cl)(Cl)	C[6](C[6]C[6]Cl)2(CC)(OH)	Cl(C[6]C[6]2)	C[6](C[6]C[6]CO)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)2(CC)(OH){2|Cl<1>,1|C<4>}	Cl(C[6]C[6]2)	113.6345	0.899	2	113.6345	0.808	2	113.6345	0.808	2	113.6345	0.808	2	114.3941	1.737	24	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:	3:3:3:1:	3:	C[6]-4:C[6]-3:Cl-1:	N[5a,6]-3:C[6]-3:N-3:H-1:	C[6]-3:	C[6](C[6]N[5a,6]HN)(C[6]C[6]H)(Cl)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]Cl)(NCS)(H)	Cl(C[6]C[6]2)	C[6](C[6]N[5a,6]HN)(C[6]C[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]Cl)(NCS)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	Cl(C[6]C[6]2)	116.0980	0.000	1	116.0980	0.000	1	116.0980	0.000	1	116.0980	0.000	1	114.3941	1.737	24	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:	4:3:1:1:	3:	C[6]-4:C[6]-3:Cl-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(Cl)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Cl)(H)2	Cl(C[6]C[6]2)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(Cl){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Cl)(H)2{1|C<3>,2|H<1>,4|C<4>}	Cl(C[6]C[6]2)	112.9150	0.553	2	112.9150	0.306	2	112.9150	0.306	2	113.6747	1.055	6	114.3941	1.737	24	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:	4:3:1:1:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-3:	C[6](C[6]C[6]ClH)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl2)(C[6]C[6]Cl)(Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]ClH)(C[6]C[6]H)(Cl){3|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Cl2)(C[6]C[6]Cl)(Cl)(H){1|C<4>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	114.0270	0.000	1	114.0270	0.000	1	114.0270	0.000	1	113.6747	1.055	6	114.3941	1.737	24	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:	4:3:1:1:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(Cl)	C[6](C[6]C[5,6]CH)(C[6]C[6]Cl)(H)2	Cl(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]C)(Cl){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]Cl)(H)2{1|C<4>,3|C<3>}	Cl(C[6]C[6]2)	112.7260	0.000	1	112.7260	0.000	1	114.0637	1.619	3	113.6747	1.055	6	114.3941	1.737	24	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:	4:3:1:1:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]H)(Cl)	C[6](C[6]C[5,6]CH)(C[6]C[6]Cl)(H)2	Cl(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]Cl)(H)2{1|H<1>,3|C<3>}	Cl(C[6]C[6]2)	114.2060	0.000	1	114.2060	0.000	1	114.0637	1.619	3	113.6747	1.055	6	114.3941	1.737	24	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:	4:3:1:1:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]H)(Cl)	C[6](C[6]N[6]HH)(C[6]C[6]Cl)(H)2	Cl(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]H)(Cl){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]Cl)(H)2{1|C<4>,1|H<1>,1|S<4>}	Cl(C[6]C[6]2)	115.2590	0.000	1	115.2590	0.000	1	114.0637	1.619	3	113.6747	1.055	6	114.3941	1.737	24	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:	4:3:2:1:	3:	C[6]-4:C[6]-3:Cl-1:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6]-3:	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(Cl)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Cl)(OH)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(Cl){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Cl)(OH)(H){1|C<4>,2|H<1>}	Cl(C[6]C[6]2)	114.0670	0.000	1	114.0670	0.000	1	114.0670	0.000	1	114.9047	0.596	3	114.3941	1.737	24	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:	4:3:2:1:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:	C[6](C[6]C[6]HO)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]HO)(C[6]C[6]Cl)(OH)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]HO)(C[6]C[6]H)(Cl){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]Cl)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	Cl(C[6]C[6]2)	115.3235	0.373	2	115.3235	0.139	2	115.3235	0.139	2	114.9047	0.596	3	114.3941	1.737	24	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:	4:3:4:1:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-3:	C[6](C[6]C[6]HP)(C[6]C[6]C)(Cl)	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(PC[6a]2O)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]HP)(C[6]C[6]C)(Cl){1|P<4>,4|H<1>}	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(PC[6a]2O)(H){1|C<3>,1|O<1>,2|C<4>}	Cl(C[6]C[6]2)	114.0240	0.000	1	114.0240	0.000	1	114.0240	0.000	1	114.0240	0.000	1	114.3941	1.737	24	118.2180	14.838	52
762	466	790	0:SP2_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:	4:3:4:3:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-3:	C[6](C[6]C[6]CC)(C[6]C[6]H)(Cl)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]Cl)(CH3)(CCH)	Cl(C[6]C[6]2)	C[6](C[6]C[6]CC)(C[6]C[6]H)(Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]Cl)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	Cl(C[6]C[6]2)	114.2380	0.000	1	114.2380	0.000	1	114.2380	0.000	1	114.2380	0.000	1	114.3941	1.737	24	118.2180	14.838	52
762	466	811	6:SP2_SP3_SP3	C[6,6]	C[6,6]	B[6,6,6a]	4:4:3:	4:3:3:3:	3:3:3:3:	B[6,6,6a]-4:C[6,6]-4:C-3:	B[6,6,6a]-4:C[6,6]-3:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]2)(CHH)	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C)(C[6a]C[6a]2)2	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C)(C[6a]C[6a]2)	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]2)(CHH){2|N<3>,9|C<3>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C)(C[6a]C[6a]2)2{2|N<3>,4|H<1>,9|C<3>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	114.8085	0.202	2	114.8085	0.041	2	114.8085	0.041	2	114.8085	0.041	2	114.8085	0.041	2	114.8085	0.041	2
762	466	813	0:SP2_SP2_SP3	C[6]	C[6]	N[5a]	3:4:3:	3:4:1:1:	3:3:3:	N[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	115.3070	0.000	1	115.3070	0.000	1	117.1428	0.845	6	117.1428	0.845	6	117.1428	0.845	6	117.1428	0.845	6
762	466	813	0:SP2_SP2_SP3	C[6]	C[6]	N[5a]	3:4:3:	3:4:1:1:	3:3:3:	N[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]N[5a]C[6])(C[6]N[6]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6]N[5a]C[6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	117.5100	0.214	5	117.5100	0.046	5	117.1428	0.845	6	117.1428	0.845	6	117.1428	0.845	6	117.1428	0.845	6
762	466	813	6:SP2_SP2_SP3	C[6]	C[6,6]	N[5a,6]	3:4:1:	4:3:4:1:	3:3:3:	N[5a,6]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]CH)(C[6]N[5a,6]O)(C[6]O[6]CH)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6,6]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]CH)(C[6]N[5a,6]O)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6,6]O){2|C<3>,3|H<1>,4|C<4>}	115.0350	0.000	1	115.0350	0.000	1	115.0350	0.000	1	115.0350	0.000	1	115.0350	0.000	1	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:	3:2:1:1:	3:3:3:	N[5a,6]-3:C[6]-4:O-1:	C[6]-3:O[6]-2:H-1:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]O[6]HH)(O)	C[6](C[6]N[5a,6]O)(O[6]C[6,6a])(H)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]O[6]HH)(O){4|C<3>}	C[6](C[6]N[5a,6]O)(O[6]C[6,6a])(H)2{3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|O<2>,3|H<1>,4|C<3>}	115.8110	0.000	1	115.8110	0.000	1	115.8110	0.000	1	114.7063	0.915	3	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:	3:2:1:1:	3:3:3:	N[5a,6]-3:C[6]-4:O-1:	C[6]-3:O[6]-2:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(O)	C[6](C[6]N[5a,6]O)(O[6]C[6])(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(O){1|C<4>,3|C<3>}	C[6](C[6]N[5a,6]O)(O[6]C[6])(H)2{1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	114.1540	0.000	2	114.1540	0.000	2	114.1540	0.000	2	114.7063	0.915	3	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:	3:3:1:1:	3:3:3:	N[5a,6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(O){1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H)2{1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O){3|H<1>,4|C<3>}	115.9615	0.149	2	115.9615	0.022	2	115.9615	0.022	2	115.9615	0.022	2	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:	3:3:4:4:	3:2:3:	N[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(O)	C[6](C[6]N[5a,6]O)(C[6]N[6]O)(CC[6a]HH)2	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|N<2>}	C[6](C[6]N[5a,6]O)(C[6]N[6]O)(CC[6a]HH)2{1|C<3>,1|H<1>,1|N<2>}	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]C[6]O){1|C<3>,1|H<1>,2|C<4>}	114.5760	0.000	1	114.5760	0.000	1	114.5760	0.000	1	114.5760	0.000	1	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:	3:3:4:4:	3:3:3:	N[5a,6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){1|H<1>,2|C<4>,5|C<3>}	117.7215	0.555	2	117.1793	1.036	3	117.2713	0.549	8	117.2713	0.549	8	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:	3:3:4:4:	3:3:3:	N[5a,6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){1|H<1>,3|C<4>,4|C<3>}	116.0950	0.000	1	117.1793	1.036	3	117.2713	0.549	8	117.2713	0.549	8	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:	3:3:4:4:	3:3:3:	N[5a,6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O){1|H<1>,2|C<4>,4|C<3>}	117.5620	0.836	2	117.5620	0.699	2	117.2713	0.549	8	117.2713	0.549	8	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:	3:3:4:4:	3:3:3:	N[5a,6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CH3)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CH3)2{1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){1|H<1>,2|C<4>,5|C<3>}	117.2350	0.000	1	117.2350	0.000	1	117.2713	0.549	8	117.2713	0.549	8	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:	3:3:4:4:	3:3:3:	N[5a,6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHP)(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHP)(CH3){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){1|H<1>,2|C<4>,5|C<3>}	116.4890	0.000	1	116.4890	0.000	1	117.2713	0.549	8	117.2713	0.549	8	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:	3:3:4:4:	3:3:3:	N[5a,6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHS)(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHS)(CH3){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O){1|H<1>,2|C<4>,4|C<3>}	117.7840	0.000	1	117.7840	0.000	1	117.2713	0.549	8	117.2713	0.549	8	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	N[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[6](C[6]N[5a,6]O)(C[6]S[6]HH)(H)2	N[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]O)(C[6]S[6]HH)(H)2{2|C<3>}	N[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	116.5940	0.000	1	116.5940	0.000	1	116.5940	0.000	1	115.7357	0.157	8	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	N[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[6](C[6]N[5a,6]O)(C[6]C[6]CH)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]N[5a,6]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	115.5900	0.016	2	115.5900	0.000	2	115.6131	0.042	7	115.7357	0.157	8	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	N[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[6](C[6]N[5a,6]O)(C[6]C[6]HH)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	115.7910	0.266	2	115.6224	0.063	5	115.6131	0.042	7	115.7357	0.157	8	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	N[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[6](C[6]N[5a,6]O)(C[6]C[6]HH)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){2|C<3>,3|H<1>,4|C<4>}	115.4710	0.000	1	115.6224	0.063	5	115.6131	0.042	7	115.7357	0.157	8	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	N[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[6](C[6]N[5a,6]O)(C[6]C[6]HH)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	115.5295	0.292	2	115.6224	0.063	5	115.6131	0.042	7	115.7357	0.157	8	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:	4:3:1:1:	3:3:3:	N[5a,6]-3:C[6]-4:O-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[5,6,6]HH)(O)	C[6](C[5,6,6]C[3x6]C[5,6]C[5])(C[6]N[5a,6]O)(H)2	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[5,6,6]HH)(O){3|C<3>,3|C<4>}	C[6](C[5,6,6]C[3x6]C[5,6]C[5])(C[6]N[5a,6]O)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.2175	1.142	2	115.2175	1.304	2	115.2175	1.304	2	114.7346	0.506	11	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:	4:3:1:1:	3:3:3:	N[5a,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]O)(H)2	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(O){2|C<4>,4|C<3>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.9680	0.287	2	115.0460	0.059	3	115.0460	0.059	3	114.7346	0.506	11	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:	4:3:1:1:	3:3:3:	N[5a,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]O)(H)2	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(O){3|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.2020	0.000	1	115.0460	0.059	3	115.0460	0.059	3	114.7346	0.506	11	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:	4:3:1:1:	3:3:3:	N[5a,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]N[5a,6]O)(H)2	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]N[5a,6]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.6840	0.000	1	114.8153	0.363	3	114.8153	0.363	3	114.7346	0.506	11	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:	4:3:1:1:	3:3:3:	N[5a,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]N[5a,6]O)(H)2	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]N[5a,6]O)(H)2{2|C<3>,2|C<4>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){2|C<3>,3|H<1>,4|C<4>}	114.8810	0.837	2	114.8153	0.363	3	114.8153	0.363	3	114.7346	0.506	11	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:	4:3:1:1:	3:3:3:	N[5a,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[5a,6]O)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5a,6]O)(H)2{1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	114.3150	0.298	2	114.3150	0.089	2	114.0207	0.304	3	114.7346	0.506	11	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:	4:3:1:1:	3:3:3:	N[5a,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]O)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]O)(H)2{1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	113.4320	0.000	1	113.4320	0.000	1	114.0207	0.304	3	114.7346	0.506	11	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:	4:3:3:1:	3:3:3:	N[5a,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[5a,6]O)(COO)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5a,6]O)(COO)(H){1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	115.1360	0.438	2	115.1360	0.192	2	115.1360	0.192	2	115.1360	0.192	2	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:2:	3:3:1:1:	3:3:3:	N[5a,6]-3:C[6]-4:N-2:	C[6,6a]-3:C[6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]FF)(NC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]N)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]FF)(NC[6a]){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)(F)2{1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]N){2|F<1>,2|H<1>,4|C<3>}	112.9690	0.000	1	112.9690	0.000	1	112.9690	0.000	1	112.9690	0.000	1	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:3:	3:2:1:1:	3:3:3:	N[5a,6]-3:C[6]-4:C-3:	C[6]-3:O[6]-2:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(CC[5a]H)	C[6](C[6]N[5a,6]C)(O[6]C[6])(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(CC[5a]H){1|H<1>,3|C<3>}	C[6](C[6]N[5a,6]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|O<1>,1|O<2>,4|H<1>}	110.4440	0.000	1	110.4440	0.000	1	110.4440	0.000	1	110.4440	0.000	1	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:3:	3:3:1:1:	3:3:3:	N[5a,6]-3:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CC[5a]H)	C[6](C[6]N[5a,6]C)(N[6]C[6]H)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CC[5a]H){2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]C)(N[6]C[6]H)(H)2{1|O<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|N<3>,1|O<1>,4|H<1>}	110.9710	0.000	1	110.9710	0.000	1	110.9710	0.000	1	111.7430	1.192	2	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:3:	3:3:1:1:	3:3:3:	N[5a,6]-3:C[6]-4:C-3:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5,6]HH)(CHH)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]C)(H)2	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5,6]HH)(CHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]C)(H)2{1|O<1>,5|C<3>}	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]C){1|N<3>,2|C<3>,3|H<1>}	112.5150	0.000	1	112.5150	0.000	1	112.5150	0.000	1	111.7430	1.192	2	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP2_SP3	C[6]	C[6]	N[5a,6]	4:3:2:	3:3:3:3:	3:3:3:	C[6]-4:N[5a,6]-3:N-2:	C[6,6a]-3:N[5a]-3:C[6]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a]N[5a])(N[5a,6]N[5a,6]C[5a])(NC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]N[5a,6]N)(C[6a]C[6a]2)	N[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]O)(C[6]C[6]N)	C[6](C[6]C[6,6a]C[6a]N[5a])(N[5a,6]N[5a,6]C[5a])(NC[6a]){1|O<1>,2|N<3>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]N[5a,6]N)(C[6a]C[6a]2){1|O<1>,2|N<3>,4|H<1>,6|C<3>}	N[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]O)(C[6]C[6]N){1|N<3>,1|O<1>,4|C<3>}	112.7150	0.000	1	112.7150	0.000	1	112.7150	0.000	1	112.7150	0.000	1	115.1660	2.876	40	115.1628	2.804	41
762	466	813	6:SP2_SP3_SP3	C[6]	C[6]	N[5a,6]	3:4:1:	3:3:4:4:	3:3:3:	N[5a,6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){3|C<4>,5|C<3>}	115.9070	0.000	1	115.9070	0.000	1	115.9070	0.000	1	115.9070	0.000	1	115.9070	0.000	1	115.9070	0.000	1
762	466	818	0:SP2_SP2_SP3	C[6,6]	C[3x6]	C[5]	3:4:4:	3:4:4:1:	3:3:3:	C[5]-3:C[3x6]-4:C[3x6]-4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6a]-3:C[6,6]-3:C[5]-3:	C[6,6](C[5]C[5,6a]C[5])(C[3x6]C[6,6]2H)2	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]2)(C[5]C[5]H)	C[6,6](C[5]C[5,6a]C[5])(C[3x6]C[6,6]2H)2{2|C<4>,3|C<3>,9|H<1>}	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]2)(C[5]C[5]H){2|C<3>,4|C<4>,4|H<1>}	124.5560	2.755	2	124.5560	7.589	2	124.5560	7.589	2	124.5560	7.589	2	124.0956	0.831	12	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6,6]	C[3x6]	C[5]	4:4:3:	3:4:4:1:	3:3:3:	C[3x6]-4:C[3x6]-4:C[5]-3:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[5]-3:C[5]-3:	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2)	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H)	C[5](C[6,6]C[3x6]2)(C[5]C[5]C)(C[5]O[5]O)	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[6,6]C[3x6]2)(C[5]C[5]C)(C[5]O[5]O){1|O<1>,2|H<1>,4|C<4>}	123.8588	0.269	6	123.8588	0.073	6	123.8588	0.073	6	123.8914	0.072	8	124.0956	0.831	12	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6,6]	C[3x6]	C[5]	4:4:3:	3:4:4:1:	3:3:3:	C[3x6]-4:C[3x6]-4:C[5]-3:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:P[5]-3:P[5]-3:	C[6,6](C[3x6]C[6,6]2H)2(C[5]P[5]2)	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H)	C[5](C[6,6]C[3x6]2)(P[5]C[6a]C[5])2	C[6,6](C[3x6]C[6,6]2H)2(C[5]P[5]2){2|C<4>,4|C<3>,8|H<1>}	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H){2|P<3>,3|C<4>,3|H<1>}	C[5](C[6,6]C[3x6]2)(P[5]C[6a]C[5])2{2|H<1>,4|C<4>,6|C<3>}	123.9890	0.345	2	123.9890	0.119	2	123.9890	0.119	2	123.8914	0.072	8	124.0956	0.831	12	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6,6]	C[3x6]	C[5]	4:4:3:	3:4:4:1:	4:4:3:	C[3x6]-4:C[3x6]-4:C[5]-3:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,5]-4:C[5,5]-4:C[6,6]-3:	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5,5]2)	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(C[6,6]C[3x6]2)	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5,5]2){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(C[6,6]C[3x6]2){1|O<2>,2|C<3>,2|N<2>,4|C<4>,4|H<1>}	124.4520	0.190	2	124.4520	0.036	2	124.4520	0.036	2	124.4520	0.036	2	124.0956	0.831	12	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[5]	4:4:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6]-4:C[5]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[5,5a]-3:C[5,5a]-3:C[6,6]-3:	C[6,6](C[6,6]C[6]2H)2(C[5]C[5,5a]2)	C[6,6](C[6,6]C[6,6]C[5])(C[6]C[6]HH)2(H)	C[5](C[5,5a]C[5,5a]C[5a])2(C[6,6]C[6,6]2)	C[6,6](C[6,6]C[6]2H)2(C[5]C[5,5a]2){2|C<4>,4|C<3>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[5])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])2(C[6,6]C[6,6]2){2|C<3>,2|S<2>,4|C<4>,4|H<1>}	124.9600	0.000	1	124.9600	0.000	1	124.9600	0.000	1	124.9600	0.000	1	124.8288	0.555	5	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[5]	4:4:3:	4:3:4:1:	3:3:3:	C[6,6]-4:C[6,6]-4:C[5]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[5]-3:C[5]-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]2)	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H)	C[5](C[6,6]C[6,6]2)(C[5]C[5,6a]O)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]2){1|C<4>,1|N<3>,1|O<2>,2|O<1>,4|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H){2|H<1>,3|C<4>,5|C<3>}	C[5](C[6,6]C[6,6]2)(C[5]C[5,6a]O)2{2|C<3>,2|H<1>,4|C<4>}	125.5255	0.056	2	125.5255	0.003	2	125.5255	0.003	2	124.7960	0.733	4	124.8288	0.555	5	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6,6]	C[6,6]	C[5]	4:4:3:	4:3:4:1:	3:3:3:	C[6,6]-4:C[6,6]-4:C[5]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[5]-3:C[5]-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]2)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H)	C[5](C[6,6]C[6,6]2)(C[5]C[5,6a]O)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]2){1|C<4>,1|N<3>,1|O<2>,2|O<1>,4|C<3>,5|H<1>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H){2|H<1>,3|C<4>,5|C<3>}	C[5](C[6,6]C[6,6]2)(C[5]C[5,6a]O)2{2|C<3>,2|H<1>,4|C<4>}	124.0665	0.258	2	124.0665	0.067	2	124.0665	0.067	2	124.7960	0.733	4	124.8288	0.555	5	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6,6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	3:4:4:	C[5,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]N[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(N[6]C[6]S)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]O[5]HH)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]N[6]HH){1|O<2>,1|S<4>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(N[6]C[6]S)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]O[5]HH){1|N<3>,3|C<4>,6|H<1>}	121.2070	0.000	1	121.2070	0.000	1	121.2070	0.000	1	121.2070	0.000	1	123.8399	3.206	12	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:P[5]-4:C[5,6]-3:	C[6,6](C[5,6]C[5,6]P[5])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(P[5]C[6a]2N[5])(C[5,6]B[5]C[6])	C[6,6](C[5,6]C[5,6]P[5])(C[6,6]C[6]2H)(C[6]C[6]HH){1|B<4>,1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(P[5]C[6a]2N[5])(C[5,6]B[5]C[6]){1|O<2>,3|C<4>,4|H<1>,6|C<3>}	127.3460	0.000	1	127.3460	0.000	1	127.3460	0.000	1	127.3460	0.000	1	123.8399	3.206	12	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6,6]	C[6]	C[5,6]	4:3:4:	3:2:1:1:	3:3:4:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[5,6]C[5,6]C[5])(C[6]O[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6,6a])(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[5,6]C[5,6]C[5])(C[6]O[6]HH){1|C<4>,1|S<3>,2|H<1>,4|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,6|H<1>}	125.6250	0.389	2	125.6250	0.151	2	125.6250	0.151	2	125.6250	0.151	2	123.8399	3.206	12	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	123.8145	1.042	2	123.8145	1.085	2	124.1907	0.967	3	124.1907	0.967	3	123.8399	3.206	12	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<1>,4|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O){1|O<2>,4|C<4>,7|H<1>}	124.9430	0.000	1	124.9430	0.000	1	124.1907	0.967	3	124.1907	0.967	3	123.8399	3.206	12	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:4:4:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[6,6](C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[3,5,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[6,6](C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){2|O<2>,4|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[3,5,6]HO)(H)2{1|O<2>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|O<2>,4|C<4>,7|H<1>}	122.9280	0.396	4	122.9280	0.157	4	122.7408	0.293	5	122.7408	0.293	5	123.8399	3.206	12	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:4:4:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){6|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){4|C<4>,8|H<1>}	121.9920	0.000	1	121.9920	0.000	1	122.7408	0.293	5	122.7408	0.293	5	123.8399	3.206	12	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[3x6]	C[5,6]	3:3:4:	3:4:4:4:	3:3:4:	P[3x6]-3:C[5,6]-3:C[3x6]-4:	C[6]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6]-3:N[5,6]-3:C[5]-4:	C[6](P[3x6]C[4x6]C[6,6])(C[5,6]N[5,6]C[5])(C[3x6]C[6,6]3)	C[3x6](C[6]C[5,6]P[3x6])(C[6,6]C[3x6]HH)3	C[5,6](C[6]C[3x6]P[3x6])(N[5,6]C[3x6]C[5])(C[5]C[5]CC)	C[6](P[3x6]C[4x6]C[6,6])(C[5,6]N[5,6]C[5])(C[3x6]C[6,6]3){2|C<3>,8|H<1>,9|C<4>}	C[3x6](C[6]C[5,6]P[3x6])(C[6,6]C[3x6]HH)3{1|N<3>,3|H<1>,6|C<4>}	C[5,6](C[6]C[3x6]P[3x6])(N[5,6]C[3x6]C[5])(C[5]C[5]CC){1|C<3>,2|H<1>,7|C<4>}	130.8860	0.000	1	130.8860	0.000	1	130.8860	0.000	1	130.8860	0.000	1	130.8860	0.000	1	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:3:	3:3:4:3:	4:4:3:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:P[6]-4:C[6]-3:	C[5,5,6]-4:C[5,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6]P[6])(C[5,6]C[5,5,6]C[5,6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6])(P[6]O[6]NO)(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6a]C[6]P[6])(C[5,6]C[5,5,6]C[5,6])(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,6|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6])(P[6]O[6]NO)(C[6]C[6]H){3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6]C[6,6]C[6]){1|C<4>,1|P<4>,3|C<3>,6|H<1>}	130.8890	0.000	1	130.8890	0.000	1	130.8890	0.000	1	130.8890	0.000	1	130.8890	0.000	1	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:4:2:1:	3:3:3:	C[5,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O[6]-2:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(O[6]C[6])(H)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]2)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	121.4970	0.000	1	121.0565	0.388	2	121.0565	0.388	2	121.0565	0.388	2	123.3018	4.361	5	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:4:2:1:	3:3:3:	C[5,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O[6]-2:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(O[6]C[6])(H)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]2)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]2){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	120.6160	0.000	1	121.0565	0.388	2	121.0565	0.388	2	121.0565	0.388	2	123.3018	4.361	5	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	3:4:4:1:	4:3:3:	C[5,6]-3:C[6]-4:C[6]-4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH)	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)2(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH){1|C<3>,1|S<4>,5|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2){1|N<3>,2|C<4>,8|H<1>}	124.7390	0.000	1	124.9590	0.097	2	124.9590	0.097	2	124.9590	0.097	2	123.3018	4.361	5	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	3:4:4:1:	4:3:3:	C[5,6]-3:C[6]-4:C[6]-4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH)	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)2(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH){1|C<3>,1|S<4>,5|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2){1|N<3>,2|C<4>,9|H<1>}	125.1790	0.000	1	124.9590	0.097	2	124.9590	0.097	2	124.9590	0.097	2	123.3018	4.361	5	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	3:4:4:1:	4:4:3:	C[5,6]-3:C[6]-4:C[6]-4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH)	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)2(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]2)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH){1|S<4>,5|H<1>,7|C<4>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)2(H){1|N<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]2){1|N<3>,2|C<4>,9|H<1>}	124.4780	0.000	1	124.4780	0.000	1	124.4780	0.000	1	124.4780	0.000	1	123.3018	4.361	5	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	2:4:3:	4:3:1:1:	3:4:3:	S[6]-2:C[6]-4:C[5]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[5]-4:C[5]-3:	C[6](S[6]C[6,6a])(C[6]C[6]HH)(C[5]C[5]2)	C[6](C[6]C[6,6a]HH)(C[6]C[5]S[6])(H)2	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]2)	C[6](S[6]C[6,6a])(C[6]C[6]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5]S[6])(H)2{1|C<4>,3|C<3>}	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]2){2|C<3>,2|C<4>,6|H<1>}	122.5590	0.000	1	122.5590	0.000	1	121.8010	1.149	2	121.8010	1.149	2	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	2:4:3:	4:3:1:1:	3:4:3:	S[6]-2:C[6]-4:C[5]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[5]-4:C[5]-3:	C[6](S[6]C[6,6a])(C[6]C[6]HH)(C[5]C[5]2)	C[6](C[6]C[6,6a]HH)(C[6]C[5]S[6])(H)2	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]C)	C[6](S[6]C[6,6a])(C[6]C[6]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5]S[6])(H)2{1|C<4>,3|C<3>}	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|C<4>,6|H<1>}	121.0430	0.000	1	121.0430	0.000	1	121.8010	1.149	2	121.8010	1.149	2	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	3:3:4:	3:3:3:1:	3:4:3:	C[5]-3:C[6,6a]-3:C[6]-4:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,5,6]-4:C[6]-3:	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]C[6])	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){2|H<1>,4|C<4>,6|C<3>}	C[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]C[6]){1|N<3>,3|C<4>,4|H<1>,5|C<3>}	121.1240	0.000	1	121.1240	0.000	1	121.1240	0.000	1	121.1240	0.000	1	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[6]-3:C[5]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[5]-3:C[6]-3:N[5]-2:	C[6](C[6]C[5a]C[6])(C[5]C[5]N[5])(C[6]C[6]HH)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5]C[5]H)(C[6]C[6]2)(N[5]C[5])	C[6](C[6]C[5a]C[6])(C[5]C[5]N[5])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[6]C[6]2)(N[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	116.4340	0.000	1	116.4340	0.000	1	116.4340	0.000	1	116.4340	0.000	1	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5]-3:C[6]-4:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]2)(C[6]C[6]CH)	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]2)(C[6]C[6]CH){1|C<4>,2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]C[6]){2|C<4>,3|H<1>,6|C<3>}	123.9550	0.000	1	123.9550	0.000	1	123.9550	0.000	1	123.9550	0.000	1	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	3:3:4:	3:4:4:1:	3:4:3:	C[5]-3:C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6a]-3:C[5,5,6]-4:C[6]-3:	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]C[6])	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){3|H<1>,4|C<3>,4|C<4>}	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]C[6]){4|C<3>,4|H<1>,5|C<4>}	124.4620	0.000	1	124.4620	0.000	1	124.4620	0.000	1	124.4620	0.000	1	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	3:4:3:	3:3:1:1:	4:3:3:	C[6]-3:C[6]-4:C[5]-3:	C[6]-3:C[6]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6]-3:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(C[5]C[5]2)	C[6](C[6]C[5]C[6])(C[6]C[6,6]H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(C[6]C[6]2)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(C[5]C[5]2){1|C<3>,2|H<1>,6|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	116.2950	0.000	1	116.2950	0.000	1	116.2950	0.000	1	116.2950	0.000	1	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C[5]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(C[5]C[5]2)	C[6](C[6]C[5a,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[6]C[5a,6]C[6])(C[5]C[5]C)(C[5]O[5]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(C[5]C[5]2){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[5a,6]C[5])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[5](C[6]C[5a,6]C[6])(C[5]C[5]C)(C[5]O[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.7630	0.000	1	121.7630	0.000	1	121.7630	0.000	1	121.7570	0.000	2	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[5]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2)	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(H)2	C[5](C[6]C[6,6a]C[6])(C[5]C[5]C)(C[5]O[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|O<1>,4|C<3>}	C[5](C[6]C[6,6a]C[6])(C[5]C[5]C)(C[5]O[5]O){1|C<4>,2|C<3>,4|H<1>}	121.7510	0.000	1	121.7510	0.000	1	121.7510	0.000	1	121.7570	0.000	2	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[5]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[5]-4:C[5]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2)	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(H)2	C[5](C[6]C[6,6a]C[6])(C[5]O[5]HH)(C[5]C[5]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2){1|O<2>,5|C<3>,5|H<1>}	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5](C[6]C[6,6a]C[6])(C[5]O[5]HH)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	123.2805	0.674	2	123.2805	0.454	2	123.2805	0.454	2	123.2805	0.454	2	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	3:4:3:	3:4:2:1:	4:3:3:	C[5]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[6](C[5]C[5,6,6]C[5])(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OH)(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]O)(C[5]C[5,6,6]H)(C[6]C[6]2)	C[6](C[5]C[5,6,6]C[5])(C[6]C[6]HO)(C[6]C[6]H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[3x6]O)(C[5]C[5,6,6]H)(C[6]C[6]2){1|Cl<1>,1|C<3>,2|H<1>,3|O<2>,5|C<4>}	115.8990	0.311	2	115.8990	0.097	2	115.8990	0.097	2	115.8990	0.097	2	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	3:4:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6]-4:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C[6]-3:	C[6](C[5]C[5,6a]C[5])(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2){2|C<3>,3|C<4>,5|H<1>}	121.3320	1.611	2	121.3320	2.595	2	123.1772	1.602	10	123.1772	1.602	10	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	3:4:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6]-4:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C[6]-3:	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2){2|C<3>,2|C<4>,6|H<1>}	123.6385	0.687	8	123.6385	0.473	8	123.1772	1.602	10	123.1772	1.602	10	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	3:4:4:	3:4:4:1:	3:3:3:	C[5]-3:C[6]-4:C[6]-4:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C[6]-3:	C[6](C[5]C[5,6a]C[5])(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2){2|C<3>,3|C<4>,5|H<1>}	122.4470	0.533	2	122.4470	0.284	2	122.4470	0.284	2	122.4470	0.284	2	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	4:3:2:	3:3:2:1:	3:4:3:	C[6]-4:C[5]-3:S[6]-2:	C[6]-3:C[6a]-3:S[6]-2:H-1:	C[6]-3:C[5]-4:C[5]-3:	C[6](C[6]C[6a]S[6]H)(C[5]C[5]2)(S[6]C[6])	C[6](C[6]C[5]S[6])(C[6a]C[6a]2)(S[6]C[6])(H)	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]O)	C[6](C[6]C[6a]S[6]H)(C[5]C[5]2)(S[6]C[6]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5]S[6])(C[6a]C[6a]2)(S[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|S<2>,5|H<1>}	123.4740	0.000	1	123.4740	0.000	1	123.4740	0.000	1	123.4740	0.000	1	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	4:3:2:	3:4:1:1:	3:3:3:	C[6]-4:C[5]-3:C[6]-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[6]C[6]HH)(C[5]N[5]2)(C[6]B[6])	C[6](C[6]C[5]C[6])(C[6]O[6]CC)(H)2	C[5](C[6]C[6]2)(N[5]C[5]C)2	C[6](C[6]C[6]HH)(C[5]N[5]2)(C[6]B[6]){1|O<2>,4|C<3>,4|C<4>}	C[6](C[6]C[5]C[6])(C[6]O[6]CC)(H)2{1|B<4>,2|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]C)2{1|B<4>,1|C<4>,4|H<1>}	112.0820	0.528	2	112.0820	0.278	2	112.0820	0.278	2	112.0820	0.278	2	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	4:3:3:	3:3:1:1:	3:3:3:	C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(C[6]C[6]2){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	117.5120	0.000	1	117.5120	0.000	1	117.5120	0.000	1	117.5120	0.000	1	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	4:3:3:	3:3:2:1:	4:3:3:	C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:H-1:	C[5]-4:C[5]-3:C[6]-3:	C[6](C[6]C[6a]O[6]H)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(C[6]C[6]2)	C[6](C[6]C[6a]O[6]H)(C[5]C[5]2)(C[6]C[6]H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	117.7155	0.200	2	117.7155	0.040	2	117.7155	0.040	2	117.7155	0.040	2	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	4:3:3:	3:4:3:1:	4:4:3:	C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:C-3:H-1:	C[5]-4:C[5]-4:C[6]-3:	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]N[6]HH)(CCH)(H)	C[5](C[5]C[5]CH)2(C[6]C[6]2)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]H){1|N<3>,4|C<4>,5|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]HH)(CCH)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5](C[5]C[5]CH)2(C[6]C[6]2){1|C<4>,2|C<3>,6|H<1>}	125.7200	0.219	2	125.7200	0.048	2	125.7200	0.048	2	125.7200	0.048	2	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	4:3:3:	3:4:4:1:	3:3:3:	C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(CCHH)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(C[6]C[6]2)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(C[6]C[6]2){4|C<4>,5|H<1>}	113.3260	0.000	1	113.3260	0.000	1	113.3260	0.000	1	113.3260	0.000	1	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[5]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[6,6]HH)(C[6]C[5]C[6])(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H){3|C<4>,7|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[5]C[6])(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	117.5820	0.246	2	117.5820	0.061	2	117.5820	0.061	2	117.5820	0.061	2	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:3:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6]-3:C[5]-3:	C[6](C[5,6]N[5,6]C[5]H)(C[5]C[5,6a]C[5])(C[6]C[6]HH)	C[6](C[6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]C[6])(C[5]N[5]O)	C[6](C[5,6]N[5,6]C[5]H)(C[5]C[5,6a]C[5])(C[6]C[6]HH){1|N<3>,1|O<1>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]C[6])(C[5]N[5]O){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	125.0540	0.000	1	125.0540	0.000	1	125.0540	0.000	1	125.0540	0.000	1	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:3:	C[6]-4:C[6]-4:C[5]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[6](C[6]C[6]HH)2(C[5]C[5]2)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5]C[5,6a]O)2(C[6]C[6]2)	C[6](C[6]C[6]HH)2(C[5]C[5]2){2|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]O)2(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	123.0610	1.452	2	123.0610	2.109	2	122.9818	0.967	4	122.9818	0.967	4	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:3:	C[6]-4:C[6]-4:C[5]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[6](C[6]C[6]HH)2(C[5]C[5]2)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(C[6]C[6]2){1|O<1>,2|C<4>,4|H<1>}	122.9025	0.876	2	122.9025	0.768	2	122.9818	0.967	4	122.9818	0.967	4	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:	3:4:1:1:	4:3:3:	C[6]-4:C[6]-4:C[5]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6]-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]2)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(C[6]C[6]2)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]2){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(C[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	123.9870	0.000	1	123.9870	0.000	1	123.3702	1.611	5	123.3702	1.611	5	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:	3:4:1:1:	4:3:3:	C[6]-4:C[6]-4:C[5]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6]-3:	C[6](C[6]C[6]HH)2(C[5]C[5]2)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(C[5]C[5]2){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	123.0315	2.280	2	123.0315	5.200	2	123.3702	1.611	5	123.3702	1.611	5	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:	3:4:1:1:	4:3:3:	C[6]-4:C[6]-4:C[5]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6]-3:	C[6](C[6]C[6]HH)2(C[5]C[5]2)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5]C[5]HN)(C[5]C[5]H)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(C[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	123.4005	0.795	2	123.4005	0.633	2	123.3702	1.611	5	123.3702	1.611	5	121.2794	12.800	47	122.6240	11.521	83
762	466	818	0:SP2_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:	3:4:4:1:	4:3:3:	C[6]-4:C[6]-4:C[5]-3:	C[6]-3:C[6]-4:C-4:H-1:	C[5]-4:C[5]-3:C[6]-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]2)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(C[6]C[6]2)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]2){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(C[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	121.3800	0.000	1	121.3800	0.000	1	121.3800	0.000	1	121.3800	0.000	1	121.2794	12.800	47	122.6240	11.521	83
762	466	818	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[5,6,6]	3:3:4:	3:3:3:1:	4:3:3:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:Cl-1:	C[5,5,6]-4:C[5,6,6]-3:C[3x6]-3:	C[3x6](C[5,6,6]C[5,5,6]C[5,6,6])2(C[3x6]C[6,6,6a]2Cl)	C[3x6](C[6,6,6a]C[5,6,6a]C[6,6,6a])2(C[3x6]C[5,6,6]2)(Cl)	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6])(C[3x6]C[5,6,6]C[3x6])	C[3x6](C[5,6,6]C[5,5,6]C[5,6,6])2(C[3x6]C[6,6,6a]2Cl){3|Cl<1>,4|C<3>,5|C<4>}	C[3x6](C[6,6,6a]C[5,6,6a]C[6,6,6a])2(C[3x6]C[5,6,6]2)(Cl){4|C<4>,5|C<3>}	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6])(C[3x6]C[5,6,6]C[3x6]){4|Cl<1>,3|C<4>,5|C<3>}	117.6010	0.000	1	117.6010	0.000	1	117.6010	0.000	1	117.6010	0.000	1	120.1980	13.489	2	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[3x6]	C[3x6]	C[5,6,6]	3:3:4:	3:3:3:1:	4:3:4:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:Cl-1:	C[5,5,6]-4:C[3x6]-3:C[5,6,6]-4:	C[3x6](C[5,6,6]C[5,5,6]C[5,6,6])2(C[3x6]C[6,6,6a]2Cl)	C[3x6](C[6,6,6a]C[5,6,6a]C[6,6,6a])2(C[3x6]C[5,6,6]2)(Cl)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2Cl)	C[3x6](C[5,6,6]C[5,5,6]C[5,6,6])2(C[3x6]C[6,6,6a]2Cl){3|Cl<1>,4|C<3>,5|C<4>}	C[3x6](C[6,6,6a]C[5,6,6a]C[6,6,6a])2(C[3x6]C[5,6,6]2)(Cl){4|C<4>,5|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2Cl){4|Cl<1>,2|C<4>,6|C<3>}	122.7950	0.000	1	122.7950	0.000	1	122.7950	0.000	1	122.7950	0.000	1	120.1980	13.489	2	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[5,6,6]	3:4:1:	3:3:3:1:	4:3:3:	C[5,6,6]-3:C[3x6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(C[6,6]C[3x6]H)(C[5]C[5]C)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H){1|S<2>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(C[6,6]C[3x6]H)(C[5]C[5]C){1|H<1>,5|C<3>}	113.4000	0.000	1	113.4000	0.000	1	113.6700	0.146	2	113.6700	0.146	2	112.4215	1.233	22	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[5,6,6]	3:4:1:	3:3:3:1:	4:3:3:	C[5,6,6]-3:C[3x6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2Se[5])(C[6,6]C[3x6]H)(C[5]C[5]C)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H){1|Se<2>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2Se[5])(C[6,6]C[3x6]H)(C[5]C[5]C){1|H<1>,5|C<3>}	113.9400	0.000	1	113.9400	0.000	1	113.6700	0.146	2	113.6700	0.146	2	112.4215	1.233	22	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[5,6,6]	3:4:1:	3:3:3:1:	4:3:4:	C[5,6,6]-3:C[3x6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]O[5]HH){1|H<1>,1|O<1>,4|C<3>}	112.4520	0.000	1	112.4520	0.000	1	112.4520	0.000	1	112.4520	0.000	1	112.4215	1.233	22	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[5,6,6]	3:4:1:	3:3:3:4:	4:3:4:	C[5,6,6]-3:C[3x6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-4:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2C)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(CH3)	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2C)(H){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(CH3){2|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]O[5]HH){1|C<4>,1|O<1>,4|C<3>}	113.6130	0.000	1	113.6130	0.000	1	113.6130	0.000	1	113.6130	0.000	1	112.4215	1.233	22	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[5,6,6]	3:4:1:	3:4:2:1:	4:3:3:	C[5,6,6]-3:C[3x6]-4:H-1:	C[6,6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(H)	C[3x6](C[6,6]C[5,6,6]H)(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[6,6]C[3x6]H)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[5,6,6]H)(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[6,6]C[3x6]H)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	110.2690	0.000	1	110.2690	0.000	1	110.2690	0.000	1	110.2690	0.000	1	112.4215	1.233	22	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[5,6,6]	3:4:1:	3:4:4:1:	4:3:4:	C[5,6,6]-3:C[3x6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(H)	C[3x6](C[6,6]C[5,6,6]H)(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]H)(C[5]C[5]HO)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(H){1|O<2>,4|C<4>,5|H<1>}	C[3x6](C[6,6]C[5,6,6]H)(C[6,6]C[6,6]HH)2(H){1|N<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]H)(C[5]C[5]HO){1|N<3>,4|C<4>,6|H<1>}	114.3830	0.000	1	114.3830	0.000	1	114.3830	0.000	1	114.3830	0.000	1	112.4215	1.233	22	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[5,6,6]	3:4:3:	3:3:3:1:	4:3:3:	C[5,6,6]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2){1|S<2>,3|H<1>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H){1|H<1>,7|C<3>}	112.0205	0.512	8	112.0205	0.262	8	111.9930	0.236	9	111.9930	0.236	9	112.4215	1.233	22	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[5,6,6]	3:4:3:	3:3:3:1:	4:3:3:	C[5,6,6]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2Se[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2){1|Se<3>,3|H<1>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2Se[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,7|C<3>}	111.7730	0.000	1	111.7730	0.000	1	111.9930	0.236	9	111.9930	0.236	9	112.4215	1.233	22	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[5,6,6]	3:4:3:	4:4:3:1:	4:3:2:	C[5,6,6]-3:C[3x6]-4:C[6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:S[5]-2:	C[6,6](C[5,6,6]C[5,3x6]S[5])(C[3x6]C[5,6,6]2H)(C[6a]C[6a]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[5,6,6]C[6a])(H)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]C[6a])(S[5]C[5])	C[6,6](C[5,6,6]C[5,3x6]S[5])(C[3x6]C[5,6,6]2H)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[5,6,6]C[6a])(H){1|C<4>,1|S<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]C[6a])(S[5]C[5]){2|C<4>,4|C<3>,5|H<1>}	111.8970	0.000	1	111.8970	0.000	1	111.8970	0.000	1	111.8970	0.000	1	112.4215	1.233	22	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[5,6,6]	3:4:4:	3:4:4:1:	4:3:4:	C[5,6,6]-3:C[3x6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(CH3)	C[3x6](C[6,6]C[5,6,6]C)(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]C)(C[5]N[5]HH)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(CH3){1|N<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[5,6,6]C)(C[6,6]C[6,6]HH)2(H){2|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]C)(C[5]N[5]HH){1|S<4>,2|C<4>,7|H<1>}	111.3780	0.000	1	111.3780	0.000	1	111.3780	0.000	1	111.3780	0.000	1	112.4215	1.233	22	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[5,6,6]	4:3:1:	3:3:3:3:	4:3:4:	C[3x6]-4:C[5,6,6]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C[6a]-3:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[6,6](C[3x6]C[6,6,6a]2C[6a])(C[5,6,6]C[5,3x6]C[5])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]S[5]HH)	C[6,6](C[3x6]C[6,6,6a]2C[6a])(C[5,6,6]C[5,3x6]C[5])(H){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]S[5]HH){2|H<1>,5|C<3>}	115.0910	0.000	1	115.0910	0.000	1	115.0910	0.000	1	115.0910	0.000	1	112.4215	1.233	22	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[5,6,6]	4:3:1:	4:3:3:1:	4:3:3:	C[3x6]-4:C[5,6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[6,6](C[3x6]C[3x6]C[6,6]Cl)(C[5,6,6]C[5,3x6]C[5])(Cl)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[5,6,6]Cl)(C[6,6]C[6,6]Cl)(Cl)	C[5,6,6](C[5,3x6]C[3x6]C[6,6]C[5])(C[6,6]C[3x6]Cl)(C[5]N[5]O)	C[6,6](C[3x6]C[3x6]C[6,6]Cl)(C[5,6,6]C[5,3x6]C[5])(Cl){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[5,6,6]Cl)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[3x6]C[6,6]C[5])(C[6,6]C[3x6]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	112.5005	0.425	2	112.5005	0.181	2	112.5005	0.181	2	112.5005	0.181	2	112.4215	1.233	22	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[5,6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[5,6,6]-3:C-3:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[5,6,6]C[5,3x6]C[5])(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(C[6,6]C[5,6,6]C)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]C[3x6]C[5])(C[6,6]C[3x6]C)(C[5]O[5]O)	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[5,6,6]C[5,3x6]C[5])(COO){1|C<2>,1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(C[6,6]C[5,6,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[3x6]C[5])(C[6,6]C[3x6]C)(C[5]O[5]O){3|H<1>,4|C<3>}	111.7740	0.000	1	111.7740	0.000	1	111.7740	0.000	1	111.9555	0.066	2	112.4215	1.233	22	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[3x6]	C[5,6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[5,6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]C[6,6]Se[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(C[6a]C[6a]2){1|Se<3>,4|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[6,6]Se[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H){1|O<1>,2|H<1>,6|C<3>}	112.1370	0.000	1	112.1370	0.000	1	112.1370	0.000	1	111.9555	0.066	2	112.4215	1.233	22	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[5,6,6]	4:3:3:	3:3:3:2:	4:3:4:	C[4x6]-4:C[5,6,6]-3:C[6a]-3:	C[3x6,6a]-3:C[6,6]-3:C[6,6a]-3:O[6,6]-2:	C[5,3x6]-4:C[6,6]-3:Si[5]-4:	C[6,6](C[4x6]C[3x6,6a]C[6,6a]O[6,6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2)	C[4x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6,6]O[6,6])	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6a]O[6,6])(C[6,6]C[4x6]C[6a])(Si[5]C[5,6a]CC)	C[6,6](C[4x6]C[3x6,6a]C[6,6a]O[6,6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,8|C<3>}	C[4x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6,6]O[6,6]){2|Si<4>,1|C<4>,1|H<1>,6|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6a]O[6,6])(C[6,6]C[4x6]C[6a])(Si[5]C[5,6a]CC){1|O<2>,7|C<3>}	112.6740	0.000	1	112.6740	0.000	1	112.6740	0.000	1	112.6740	0.000	1	113.8265	2.657	2	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[4x6]	C[5,6,6]	4:3:3:	3:3:3:3:	4:3:4:	C[4x6]-4:C[5,6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6a]-3:C[5x6]-3:	C[5,3x6]-4:C[6,6]-3:Si[5]-4:	C[6,6](C[4x6]C[6,6,6a]C[6,6a]C[5x6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6])	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6a]C[5x6])(C[6,6]C[4x6]C[6a])(Si[5]C[5,6a]CC)	C[6,6](C[4x6]C[6,6,6a]C[6,6a]C[5x6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2){2|H<1>,3|C<4>,9|C<3>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6]){2|Si<4>,2|C<4>,2|H<1>,8|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6a]C[5x6])(C[6,6]C[4x6]C[6a])(Si[5]C[5,6a]CC){10|C<3>}	114.9790	0.000	1	114.9790	0.000	1	114.9790	0.000	1	114.9790	0.000	1	113.8265	2.657	2	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[5,6,6]	3:4:4:	3:4:4:1:	4:3:3:	C[5,6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:N[5,6]-3:C[6,6]-3:	C[6,6](C[5,6,6]C[5,5,6]N[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6,6]CH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6]N[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6,6]CH)(C[6]C[6]HH)(H){2|C<4>,2|N<3>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]C[6]){1|N<3>,1|O<1>,2|C<3>,4|C<4>,6|H<1>}	119.7310	0.000	1	119.7310	0.000	1	119.7310	0.000	1	119.7310	0.000	1	119.7310	0.000	1	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:3:4:	3:4:4:4:	3:4:4:	C[6,6a]-3:C[5,6]-3:C[6,6]-4:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)	C[6,6](C[6,6]C[6,6a]C[5,6])(C[6]C[6]HH)(C[6]O[6]HH)(CH3)	C[5,6](C[6,6]C[6,6a]C[6,6])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6a]C[5,6])(C[6]C[6]HH)(C[6]O[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6a]C[6,6])(C[5,6]C[5]C[6]H)(C[5]N[5]HH){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	121.8530	0.000	1	121.8530	0.000	1	121.8530	0.000	1	121.8530	0.000	1	121.9016	4.930	19	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:4:	3:4:4:1:	3:4:3:	C[5,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:P[5]-4:C[5,6]-3:	C[6,6](C[5,6]C[5,6]P[5])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6])(P[5]C[6a]2N[5])(C[5,6]B[5]C[6])	C[6,6](C[5,6]C[5,6]P[5])(C[6,6]C[6]2H)(C[6]C[6]HH){1|B<4>,1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(P[5]C[6a]2N[5])(C[5,6]B[5]C[6]){1|O<2>,3|C<4>,4|H<1>,6|C<3>}	119.0580	0.000	1	119.0580	0.000	1	119.0580	0.000	1	119.0580	0.000	1	121.9016	4.930	19	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:4:	3:4:4:4:	3:4:4:	C[5,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]N[6]HH)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]O[5]HH)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]N[6]HH){1|O<2>,1|S<4>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3){1|N<3>,2|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]O[5]HH){1|N<3>,3|C<4>,6|H<1>}	122.9100	0.000	1	122.9100	0.000	1	122.9100	0.000	1	122.9100	0.000	1	121.9016	4.930	19	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:3:	3:3:4:4:	3:3:4:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	115.3550	0.000	1	115.3550	0.000	1	115.3550	0.000	1	115.3550	0.000	1	121.9016	4.930	19	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:3:	4:3:4:1:	3:4:4:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]H){5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<3>,3|C<4>,7|H<1>}	121.8660	0.000	1	121.8660	0.000	1	122.8370	1.025	4	122.8370	1.025	4	121.9016	4.930	19	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:3:	4:3:4:1:	3:4:4:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<1>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<2>,1|O<1>,3|C<4>,6|H<1>}	122.8620	1.133	2	123.1607	0.909	3	122.8370	1.025	4	122.8370	1.025	4	121.9016	4.930	19	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:3:	4:3:4:1:	3:4:4:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|O<1>,3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<2>,1|O<1>,3|C<4>,6|H<1>}	123.7580	0.000	1	123.1607	0.909	3	122.8370	1.025	4	122.8370	1.025	4	121.9016	4.930	19	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:3:	4:3:4:2:	3:4:4:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	123.2320	0.000	1	123.2320	0.000	1	123.2320	0.000	1	123.2320	0.000	1	121.9016	4.930	19	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:4:	3:3:3:1:	3:3:4:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:N[6]-3:H-1:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[5,6]C[5,6]C[5])(C[6]O[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]S)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[5,6]C[5,6]C[5])(C[6]O[6]HH){1|C<4>,1|S<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,6|H<1>}	121.5875	0.013	2	121.5875	0.000	2	121.5875	0.000	2	121.5875	0.000	2	121.9016	4.930	19	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:4:	4:3:3:1:	3:4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]H)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]H)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	119.6125	0.303	2	119.6125	0.092	2	119.6125	0.092	2	119.6125	0.092	2	121.9016	4.930	19	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:4:	4:3:4:1:	3:4:4:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){5|C<4>,7|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){4|C<4>,8|H<1>}	122.2070	0.000	1	122.2070	0.000	1	122.2070	0.000	1	122.2070	0.000	1	121.9016	4.930	19	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:4:	4:3:4:2:	3:4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[5,6]-4:C[5]-3:	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,7|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O){1|O<2>,4|C<4>,7|H<1>}	121.8030	0.000	1	121.8030	0.000	1	121.8030	0.000	1	121.8030	0.000	1	121.9016	4.930	19	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:4:	4:3:4:2:	3:4:4:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[6,6](C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[6,6](C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){2|O<2>,4|H<1>,7|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH){6|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|O<2>,4|C<4>,7|H<1>}	123.9912	0.167	4	123.9912	0.028	4	123.9912	0.028	4	123.9912	0.028	4	121.9016	4.930	19	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[6]	C[5,6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6]-4:C[6,6]-3:	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]Mo)(C[6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){1|Mo<10>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]Mo)(C[6,6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	116.8810	0.000	1	116.8810	0.000	1	116.8810	0.000	1	116.8810	0.000	1	119.1868	2.613	16	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[6]	C[5,6,6]	3:4:3:	3:4:4:1:	4:4:3:	C[5,6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-3:	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H)	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2)	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]O){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2){1|O<1>,1|O<2>,2|C<3>,4|C<4>,6|H<1>}	122.3835	0.489	2	122.3835	0.239	2	122.3835	0.239	2	122.3835	0.239	2	119.1868	2.613	16	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[6]	C[5,6,6]	3:4:4:	3:2:2:1:	4:4:3:	C[5,6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:O[6]-2:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-3:	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]HO)	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(OC)(H)	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2)	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]HO){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(OC)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2){2|C<3>,3|O<2>,4|C<4>,6|H<1>}	118.4760	0.000	1	118.4760	0.000	1	118.4760	0.000	1	118.4760	0.000	1	119.1868	2.613	16	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[6]	C[5,6,6]	3:4:4:	3:3:1:1:	4:3:3:	C[5,6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6,6]-3:	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]N[6]HH)	C[6](C[6,6]C[5,6,6]C[6])(N[6]C[6]S)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(C[6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]N[6]HH){1|C<3>,1|S<4>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(C[6,6]C[6]2){11|H<1>,1|C<4>,1|N<3>}	120.7310	0.000	1	120.7310	0.000	1	120.7310	0.000	1	120.7310	0.000	1	119.1868	2.613	16	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[6]	C[5,6,6]	3:4:4:	3:4:1:1:	3:4:3:	C[5,6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6]-4:C[6,6]-3:	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]HN)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)2	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<2>}	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2){1|N<3>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	119.0430	0.166	4	119.0430	0.028	4	119.0430	0.028	4	119.0430	0.028	4	119.1868	2.613	16	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[6]	C[5,6,6]	3:4:4:	3:4:1:1:	4:3:3:	C[5,6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:C[6,6]-3:	C[6,6](C[5,6,6]C[5,5,6]N[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]HO)(H)2	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6]N[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]C[6]){1|N<3>,1|O<1>,2|C<3>,4|C<4>,6|H<1>}	118.2190	0.000	1	118.2190	0.000	1	118.2190	0.000	1	119.1460	1.719	2	119.1868	2.613	16	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[6]	C[5,6,6]	3:4:4:	3:4:1:1:	4:3:3:	C[5,6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6,6]-3:	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]N[6]HH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(C[6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]N[6]HH){1|C<3>,1|S<4>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(C[6,6]C[6]2){11|H<1>,1|C<4>,1|N<3>}	120.0730	0.000	1	120.0730	0.000	1	120.0730	0.000	1	119.1460	1.719	2	119.1868	2.613	16	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[6]	C[5,6,6]	3:4:4:	3:4:3:1:	3:4:3:	C[5,6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:N-3:H-1:	C[5,6,6a]-3:C[5,6]-4:C[6,6]-3:	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]HN)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(NCH)(H)	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(NCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2){1|N<3>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	117.8500	0.179	4	117.8500	0.032	4	117.8500	0.032	4	117.8500	0.032	4	119.1868	2.613	16	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6,6]	C[6]	C[5,6,6]	3:4:4:	3:4:4:1:	4:4:3:	C[5,6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-3:	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]HO)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H)	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2)	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]HO){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2){2|C<3>,3|O<2>,4|C<4>,6|H<1>}	120.2700	0.000	1	120.2700	0.000	1	120.2700	0.000	1	120.2700	0.000	1	119.1868	2.613	16	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5,6]	3:4:1:	4:3:3:4:	4:3:3:	C[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[5,5,6]-4:C[6]-3:C[5]-3:	C[6](C[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]C)(H)	C[6,6](C[6,6]C[5,3x6]HH)(C[6]C[5,6]H)(C[6]C[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,3x6]C[3,5]C[5])(C[6]C[6,6]H)(C[5]O[5]O)	C[6](C[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]C)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[5,3x6]HH)(C[6]C[5,6]H)(C[6]C[5,6]O)(CH3){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,3x6]C[3,5]C[5])(C[6]C[6,6]H)(C[5]O[5]O){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	116.3115	0.015	2	116.3115	0.000	2	116.3115	0.000	2	116.3115	0.000	2	118.1219	3.114	28	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5,6]	3:4:1:	4:3:4:1:	4:3:2:	C[5,6]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,5,6]-4:C[6]-3:N[5]-2:	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(O)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]O)(N[5]C[5,6a])	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]O)(N[5]C[5,6a]){2|Cl<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	113.8150	0.000	1	113.8150	0.000	1	113.8150	0.000	1	113.8150	0.000	1	118.1219	3.114	28	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5,6]	3:4:3:	3:3:4:1:	4:3:3:	C[5,6]-3:C[6,6]-4:C-3:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	118.1219	3.114	28	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5,6]	3:4:3:	4:3:3:1:	4:3:3:	C[5,6]-3:C[6,6]-4:C-3:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(CHO)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]C)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(CHO){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,2|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	116.0330	0.000	1	116.0330	0.000	1	116.5993	0.267	3	116.5993	0.267	3	118.1219	3.114	28	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5,6]	3:4:3:	4:3:3:1:	4:3:3:	C[5,6]-3:C[6,6]-4:C-3:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]C)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,2|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	116.8825	0.231	2	116.8825	0.053	2	116.5993	0.267	3	116.5993	0.267	3	118.1219	3.114	28	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5,6]	3:4:3:	4:3:4:1:	4:3:3:	C[5,6]-3:C[6,6]-4:C-3:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO)	C[6,6](C[6,6]C[5,6,6]CO)(C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]CO)(C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	119.6200	0.000	1	119.6200	0.000	1	119.4193	0.029	4	119.4193	0.029	4	118.1219	3.114	28	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5,6]	3:4:3:	4:3:4:1:	4:3:3:	C[5,6]-3:C[6,6]-4:C-3:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO){2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	119.2840	0.065	2	119.3523	0.016	3	119.4193	0.029	4	119.4193	0.029	4	118.1219	3.114	28	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5,6]	3:4:3:	4:3:4:1:	4:3:3:	C[5,6]-3:C[6,6]-4:C-3:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	119.4890	0.000	1	119.3523	0.016	3	119.4193	0.029	4	119.4193	0.029	4	118.1219	3.114	28	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5,6]	3:4:4:	3:4:4:3:	3:3:4:	C[5,6]-3:C[6,6]-4:C-4:	C[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[5,6]-3:C[6]-3:C[5]-4:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6]3)(CH3)	C[6,6](C[6]C[5,6]C)(C[6]C[6]HH)2(C[6]O[6]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[5]N[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6]3)(CH3){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6]C[5,6]C)(C[6]C[6]HH)2(C[6]O[6]O){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[5]N[5]HH){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	117.0390	0.000	1	117.0390	0.000	1	117.0390	0.000	1	117.0390	0.000	1	118.1219	3.114	28	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:1:	3:3:4:4:	3:3:4:	C[6,6]-4:C[5,6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[5,6]-3:C[6]-3:C[5]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	C[5,6](C[5,6]C[6,6]O[5])(C[6]C[6,6]O)(C[5]C[5]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[6,6]O[5])(C[6]C[6,6]O)(C[5]C[5]HH){1|H<1>,2|C<3>,4|C<4>}	116.8100	0.000	1	116.8100	0.000	1	116.7123	0.026	3	116.7123	0.026	3	118.1219	3.114	28	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:1:	3:3:4:4:	3:3:4:	C[6,6]-4:C[5,6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[5,6]-3:C[6]-3:C[5]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]O[5])(C[6]C[6,6]O)(C[5]C[5]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[6,6]O[5])(C[6]C[6,6]O)(C[5]C[5]HH){1|H<1>,2|C<3>,4|C<4>}	116.6635	0.194	2	116.6635	0.038	2	116.7123	0.026	3	116.7123	0.026	3	118.1219	3.114	28	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:1:	4:3:3:2:	3:3:2:	C[6,6]-4:C[5,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	C[5,6]-3:C[6]-3:O[5]-2:	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5])(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]O)(OH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]H)(O[5]C[5])	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]H)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	117.5060	0.000	1	117.5060	0.000	1	117.5060	0.000	1	117.5060	0.000	1	118.1219	3.114	28	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:1:	4:3:4:1:	4:3:3:	C[6,6]-4:C[5,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]O)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]O){1|C<3>,3|C<4>,3|H<1>}	119.9700	0.000	1	119.9700	0.000	1	119.9700	0.000	1	119.9700	0.000	1	118.1219	3.114	28	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:1:	4:3:4:4:	3:3:2:	C[6,6]-4:C[5,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[5,6]-3:C[6]-3:O[5]-2:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]O[5])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]H)(O[5]C[5])	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]O[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]H)(O[5]C[5]){1|O<1>,2|H<1>,4|C<4>}	118.0210	0.000	1	118.0210	0.000	1	118.0210	0.000	1	118.0210	0.000	1	118.1219	3.114	28	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:1:	4:4:3:3:	3:3:2:	C[6,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:O[5]-2:	C[6](C[6,6]C[5,6]C[6]2)(C[5,6]C[5,6]O[5])(H)	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[5,6]H)(C[6]C[6]O)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]H)(O[5]C[5])	C[6](C[6,6]C[5,6]C[6]2)(C[5,6]C[5,6]O[5])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[5,6]H)(C[6]C[6]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]H)(O[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	119.7290	0.000	1	119.7290	0.000	1	119.7290	0.000	1	119.7290	0.000	1	118.1219	3.114	28	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:1:	4:4:3:4:	4:3:2:	C[6,6]-4:C[5,6]-3:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[6]-3:O[5]-2:	C[6](C[6,6]C[3,5,6]C[3,6,6]C)(C[5,6]C[5,6,6]O[5])(H)	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5,6]H)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])	C[6](C[6,6]C[3,5,6]C[3,6,6]C)(C[5,6]C[5,6,6]O[5])(H){1|H<1>,2|O<2>,6|C<4>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,6|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]){2|C<3>,2|H<1>,5|C<4>}	120.4010	0.566	2	120.4010	0.320	2	120.4010	0.320	2	120.4010	0.320	2	118.1219	3.114	28	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:3:	2:3:4:1:	3:3:3:	C[6,6]-4:C[5,6]-3:N-3:	O[6,6]-2:C[6]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[6,6]O[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO)	C[6,6](O[6,6]C[6,6])(C[6]C[5,6]N)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C)	C[6](C[6,6]O[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO){2|H<1>,5|C<4>}	C[6,6](O[6,6]C[6,6])(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C){1|O<2>,2|C<4>,6|H<1>}	117.2180	0.000	1	117.2180	0.000	1	117.2180	0.000	1	117.2180	0.000	1	118.1219	3.114	28	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:3:	3:3:4:1:	3:3:3:	C[6,6]-4:C[5,6]-3:N-3:	N[6,6]-3:C[6]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO)	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[5,6]N)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C)	C[6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO){1|C<3>,2|H<1>,5|C<4>}	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C){1|N<3>,2|C<4>,6|H<1>}	117.3200	0.000	1	117.3200	0.000	1	118.3040	1.937	2	118.3040	1.937	2	118.1219	3.114	28	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:3:	3:3:4:1:	3:3:3:	C[6,6]-4:C[5,6]-3:N-3:	N[6,6]-3:C[6]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO)	C[6,6](N[6,6]C[6,6]N)(C[6]C[5,6]N)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C)	C[6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO){1|N<3>,2|H<1>,5|C<4>}	C[6,6](N[6,6]C[6,6]N)(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C){1|N<3>,2|C<4>,6|H<1>}	119.2880	0.000	1	119.2880	0.000	1	118.3040	1.937	2	118.3040	1.937	2	118.1219	3.114	28	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:3:	4:3:4:1:	3:3:3:	C[6,6]-4:C[5,6]-3:N-3:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]N)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,2|N<3>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C){1|O<2>,3|C<4>,5|H<1>}	118.7600	0.000	1	118.7600	0.000	1	118.7600	0.000	1	118.7600	0.000	1	118.1219	3.114	28	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:3:	4:3:4:1:	4:3:3:	C[6,6]-4:C[5,6]-3:C-3:	C[3,6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5,6]N[5])(COO)	C[6,6](C[3,6,6]C[5,6,6]C[3]O[3])(C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5,6]N[5])(COO){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3,6,6]C[5,6,6]C[3]O[3])(C[6]C[5,6]C)(C[6]C[6]HH)(H){2|C<4>,2|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	119.5340	0.000	1	119.5340	0.000	1	119.5340	0.000	1	119.5340	0.000	1	118.1219	3.114	28	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:3:	4:4:3:1:	4:3:3:	C[6,6]-4:C[5,6]-3:C-3:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]N[5])(COO)	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]N[5])(COO){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(H){2|C<4>,2|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	116.9710	0.000	1	116.9710	0.000	1	116.9710	0.000	1	116.9710	0.000	1	118.1219	3.114	28	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:4:	4:3:4:1:	4:3:3:	C[6,6]-4:C[5,6]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]C)(C[5]C[5]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]C)(C[5]C[5]H){2|C<4>,6|H<1>}	121.4790	0.000	1	121.4790	0.000	1	121.4790	0.000	1	121.4790	0.000	1	118.1219	3.114	28	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6,6]	3:4:1:	3:3:1:1:	4:4:3:	C[5,6,6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]N[6]HH)(H)	C[6](C[6]C[5,6,6]H)(N[6]C[6]S)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]N[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,6|H<1>}	122.3400	0.240	2	122.3400	0.058	2	122.3400	0.058	2	122.3400	0.058	2	121.8341	5.235	13	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6,6]	3:4:1:	3:4:1:1:	4:4:3:	C[5,6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]H){1|C<4>,4|H<1>,5|C<3>}	123.0153	0.454	3	123.0153	0.206	3	123.0153	0.206	3	123.0153	0.206	3	121.8341	5.235	13	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6,6]H)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]2O[5,5])(C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6,6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6]2O[5,5])(C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6]H){1|C<3>,4|C<4>,6|H<1>}	123.4290	0.000	1	123.4290	0.000	1	123.4290	0.000	1	119.0870	14.151	3	121.8341	5.235	13	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]H)(H)2	C[5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	116.9160	0.147	2	116.9160	0.022	2	116.9160	0.022	2	119.0870	14.151	3	121.8341	5.235	13	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6,6]	3:4:3:	4:3:2:1:	4:4:3:	C[5,6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]HO)(COO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OC)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]HO)(COO){1|H<1>,1|N<3>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OC)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C){1|O<2>,6|C<4>,6|H<1>}	122.4360	0.000	1	121.9243	0.396	3	122.5712	0.997	5	122.5712	0.997	5	121.8341	5.235	13	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6,6]	3:4:3:	4:3:2:1:	4:4:3:	C[5,6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]HO)(COO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OC)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]HO)(COO){1|H<1>,1|N<3>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OC)(H){3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C){1|O<2>,6|C<4>,6|H<1>}	121.6685	0.631	2	121.9243	0.396	3	122.5712	0.997	5	122.5712	0.997	5	121.8341	5.235	13	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6,6]	3:4:3:	4:3:2:1:	4:4:3:	C[5,6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]HO)(COO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]HO)(COO){1|H<1>,1|N<4>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OH)(H){3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C){1|O<2>,6|C<4>,7|H<1>}	123.5415	0.245	2	123.5415	0.060	2	122.5712	0.997	5	122.5712	0.997	5	121.8341	5.235	13	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CO)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CO)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	114.9630	0.000	1	114.9630	0.000	1	114.9630	0.000	1	114.9630	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]CH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]CH)(H)2{1|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6a]C[6]){1|C<4>,4|H<1>,6|C<3>}	116.4710	0.000	1	116.4710	0.000	1	116.4710	0.000	1	116.4710	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	4:3:2:	C[5,6]-3:C[5a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH)	C[6](C[6]C[5,6]C[5a])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[5a]C[6])(O[5]C[5,6a])	C[6](C[5,6]C[5,6]O[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[5a]C[6])(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	118.0040	0.000	1	118.0040	0.000	1	118.0040	0.000	1	118.7593	0.429	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	4:3:2:	C[5,6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(O[5]Si[5])	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH){1|Si<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(O[5]Si[5]){3|C<3>,4|C<4>,4|H<1>}	119.1760	0.000	1	119.1370	0.003	2	119.1370	0.003	2	118.7593	0.429	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	4:3:2:	C[5,6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(O[5]Si[5])	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH){1|Si<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(O[5]Si[5]){2|C<3>,4|H<1>,5|C<4>}	119.0980	0.000	1	119.1370	0.003	2	119.1370	0.003	2	118.7593	0.429	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	Si[5,6]-4:C[5,6a]-3:C[6]-3:	C[6](C[5,6]C[5,6a]Si[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)2	C[5,6](Si[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])	C[6](C[5,6]C[5,6a]Si[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)2{1|Si<4>,2|H<1>,3|C<3>}	C[5,6](Si[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,6|C<3>,7|H<1>}	122.0330	0.000	1	122.0330	0.000	1	122.0330	0.000	1	122.0330	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:3:4:	3:4:2:1:	3:3:2:	C[5,6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HO)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]N[6]H)(OH)(H)	C[5,6](C[5,6]C[5]N[6])(C[6]C[6a]C[6])(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HO){1|N<3>,3|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]N[6]H)(OH)(H){1|O<2>,6|C<3>}	C[5,6](C[5,6]C[5]N[6])(C[6]C[6a]C[6])(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	114.7600	0.000	1	114.7600	0.000	1	114.7600	0.000	1	114.7600	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:3:4:	3:4:4:1:	4:3:3:	C[5,6]-3:C[5a]-3:C[6]-4:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-3:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]CH)	C[6](C[6]C[5,6]C[5a])(C[6]C[5,6]CH)(CH3)(H)	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[5a]C[6])(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[5a])(C[6]C[5,6]CH)(CH3)(H){1|C<4>,1|S<2>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[5a]C[6])(C[5]C[5,6a]O){1|H<1>,1|S<2>,2|C<4>,5|C<3>}	120.7890	0.000	1	120.7890	0.000	1	120.7890	0.000	1	120.7890	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:2:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,5,6]C[5])(C[6]O[6]HH)(H)	C[6](C[6]C[5,6]H)(O[6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]O[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(O[6]C[5,6])(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	120.9830	0.000	1	120.9830	0.000	1	120.9830	0.000	1	120.7255	0.133	2	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:2:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)	C[6](C[6]C[5,6]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H){1|C<3>,1|O<2>,5|H<1>}	120.4680	0.000	1	120.4680	0.000	1	120.4680	0.000	1	120.7255	0.133	2	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:2:4:4:	3:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:O[6]-2:C-4:C-4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]CC)(H)	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]CC)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3)2{1|C<3>,3|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){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	121.6845	1.224	6	121.6554	1.254	7	121.6554	1.254	7	121.6554	1.254	7	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:2:4:4:	3:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:O[6]-2:C-4:C-4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]CC)(H)	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]CC)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3)2{1|C<3>,3|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){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	121.4810	0.000	1	121.6554	1.254	7	121.6554	1.254	7	121.6554	1.254	7	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:3:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H){2|C<3>,4|H<1>}	118.1890	0.000	1	118.1890	0.000	1	118.1890	0.000	1	118.2275	0.003	2	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:3:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]HH)(H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5a,6]N[5]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]HH)(H){1|C<4>,2|N<3>,3|C<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5a,6]N[5]C)(C[6]C[6]H){1|N<3>,3|H<1>,4|C<3>}	118.2660	0.000	1	118.2660	0.000	1	118.2660	0.000	1	118.2275	0.003	2	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:3:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:P[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]C)(P[5]C[6a]C[5]W)(C[6]C[6]H)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H){1|C<4>,1|W<6>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|P<4>}	C[5,6](C[5,6]C[5]C[6]C)(P[5]C[6a]C[5]W)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	120.6860	0.000	1	120.6860	0.000	1	120.6860	0.000	1	122.2027	1.758	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:3:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,5,6]C[5])(C[6]N[6]HH)(H)	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]N[6]HH)(H){1|H<1>,1|O<1>,1|S<4>,4|C<4>}	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,7|H<1>}	123.1430	0.000	1	123.1430	0.000	1	123.1430	0.000	1	122.2027	1.758	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:3:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]HH)(H){1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H){1|C<3>,1|N<3>,5|H<1>}	122.7790	0.000	1	122.7790	0.000	1	122.7790	0.000	1	122.2027	1.758	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:3:2:2:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:O-2:O-2:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]OO)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC)2	C[5,6](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]OO)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC)2{1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[6]N[5])(C[6]C[6]H){2|H<1>,3|C<3>,3|O<2>}	120.5980	0.000	1	120.5980	0.000	1	120.5980	0.000	1	120.5980	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:3:3:1:	3:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|S<4>,6|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,3|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){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	122.1950	0.000	1	122.1950	0.000	1	122.1950	0.000	1	122.1950	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:3:3:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]H){4|H<1>,5|C<3>}	122.9640	0.000	1	122.9640	0.000	1	122.9640	0.000	1	122.9640	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:3:3:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]H){3|H<1>,4|C<3>}	123.2140	0.000	1	123.2140	0.000	1	123.2140	0.000	1	123.2140	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:3:3:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,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]H){1|S<4>,2|C<3>,4|H<1>}	123.2820	0.000	1	123.2820	0.000	1	122.9930	0.167	2	122.9930	0.167	2	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:3:3:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(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)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,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){2|C<3>,4|H<1>}	122.7040	0.000	1	122.7040	0.000	1	122.9930	0.167	2	122.9930	0.167	2	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C[6a]-3:N-3:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6a]N[6]N)(H)	C[6](N[6]C[6,6a]C)(C[6]C[5,6]H)(C[6a]C[6a]2)(NCH)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6a]N[6]N)(H){1|N<3>,1|O<1>,5|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[5,6]H)(C[6a]C[6a]2)(NCH){2|H<1>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]N[5]O)(C[6]C[6]H){1|C<4>,2|N<3>,3|C<3>}	121.6230	0.000	1	121.6230	0.000	1	121.6230	0.000	1	121.6230	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:3:4:1:	3:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|H<1>,3|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){1|C<4>,2|H<1>,3|C<3>,3|O<1>}	120.1340	0.000	1	120.1340	0.000	1	122.0447	0.865	7	122.0447	0.865	7	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:3:4:1:	3:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,1|O<2>,2|H<1>,3|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){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	122.5970	0.215	4	122.3632	0.187	6	122.0447	0.865	7	122.0447	0.865	7	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:3:4:1:	3:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|S<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,4|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){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	121.8955	0.373	2	122.3632	0.187	6	122.0447	0.865	7	122.0447	0.865	7	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:3:4:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6a]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(CCl2C)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]H)(N[5]C[5]S)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(CCl2C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]H)(N[5]C[5]S){2|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.4630	0.000	1	120.4630	0.000	1	120.4630	0.000	1	120.8890	0.363	2	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:3:4:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]C)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(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[6]C[6]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	121.3150	0.000	1	121.3150	0.000	1	121.3150	0.000	1	120.8890	0.363	2	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:3:4:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]CH)(H)	C[6](C[6]C[5,6]H)(N[6]C[6]H)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]H)(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	122.7550	0.000	1	122.7550	0.000	1	122.7550	0.000	1	122.7550	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:3:4:2:	3:4:3:	C[5,6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CO)(O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(CCHH)(OH)	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CO)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(CCHH)(OH){1|C<4>,4|C<3>}	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.4930	0.000	1	117.4930	0.000	1	117.4930	0.000	1	117.4930	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:3:4:4:	3:3:3:	C[5,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-3:C-4:C-4:	C[5,6,6a]-3:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[5a,6]CC)(H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[5,6]H)(CH3)2	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6a])(N[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[5a,6]CC)(H){5|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[5,6]H)(CH3)2{2|N<3>,3|C<3>}	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6a])(N[5]C[6a]C[5])(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	123.6590	0.000	1	123.6590	0.000	1	123.6590	0.000	1	121.7668	1.625	4	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:3:4:4:	3:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[5,6,6a]-3:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CH3)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(N[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[6]CC)(H){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,1|N<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(N[5]C[6a]C[5])(C[6]C[6]H){1|N<2>,1|O<1>,2|C<4>,4|C<3>}	121.1360	0.224	3	121.1360	0.050	3	121.1360	0.050	3	121.7668	1.625	4	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:3:4:4:	3:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)2{1|C<4>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	122.0840	0.000	1	122.0840	0.000	1	122.0840	0.000	1	122.0840	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	3:3:2:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]O)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]O)(S[5]C[5]){1|C<4>,1|N<2>,4|H<1>}	114.6980	0.000	1	114.6980	0.000	1	114.6980	0.000	1	114.6980	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CC)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H){1|C<4>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	121.8150	0.000	1	121.8150	0.000	1	121.8150	0.000	1	116.5626	10.550	5	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]C)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]C)(C[6]C[6]O){1|C<4>,1|O<1>,4|H<1>}	116.3200	0.083	2	116.3200	0.007	2	116.0230	0.268	3	116.5626	10.550	5	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]O)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	115.4290	0.000	1	115.4290	0.000	1	116.0230	0.268	3	116.5626	10.550	5	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[6]O[5])(N[5]C[5]C[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5])(N[5]C[5]C[6])(C[6]C[6]O){1|N<2>,3|C<4>,5|H<1>}	112.9290	0.000	1	112.9290	0.000	1	112.9290	0.000	1	116.5626	10.550	5	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:D-1:H-1:	C[5,6]-3:Ge[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]Ge[5])(C[6]C[6]DH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]DH)(D)(H)	C[5,6](C[5,6]C[5]C[6])(Ge[5]O[5]CC)(C[6]C[6]H)	C[6](C[5,6]C[5,6]Ge[5])(C[6]C[6]DH)(H){1|C<3>,1|D<1>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]DH)(D)(H){1|Ge<4>,1|C<3>,1|D<1>,1|H<1>}	C[5,6](C[5,6]C[5]C[6])(Ge[5]O[5]CC)(C[6]C[6]H){1|C<3>,1|C<4>,2|D<1>,2|H<1>}	122.2940	0.000	1	122.2940	0.000	1	122.2940	0.000	1	117.3365	11.855	11	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5]H)(C[6]C[6]H){1|Pd<4>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	122.8970	0.000	1	122.7665	0.034	2	122.7665	0.034	2	117.3365	11.855	11	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5]H)(C[6]C[6]H){1|Pd<4>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	122.6360	0.000	1	122.7665	0.034	2	122.7665	0.034	2	117.3365	11.855	11	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	114.7075	0.428	2	114.7075	0.183	2	115.3594	0.528	8	117.3365	11.855	11	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]O){3|H<1>,4|C<4>}	114.8860	0.000	1	114.8860	0.000	1	115.3594	0.528	8	117.3365	11.855	11	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CO)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CO)(C[6]C[6]O){2|C<4>,5|H<1>}	115.3610	0.000	1	115.0895	0.147	2	115.3594	0.528	8	117.3365	11.855	11	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CO)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CO)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	114.8180	0.000	1	115.0895	0.147	2	115.3594	0.528	8	117.3365	11.855	11	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O){2|C<4>,5|H<1>}	115.8995	0.185	2	116.1317	0.179	3	115.3594	0.528	8	117.3365	11.855	11	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	116.5960	0.000	1	116.1317	0.179	3	115.3594	0.528	8	117.3365	11.855	11	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-3:N[5]-3:	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]H)(N[5]C[5]C)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]H)(N[5]C[5]C){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	121.3450	0.000	1	121.3450	0.000	1	121.3450	0.000	1	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,8|H<1>}	122.6680	0.000	1	122.6680	0.000	1	122.6680	0.000	1	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	122.1575	0.308	2	122.1575	0.095	2	121.8906	1.194	9	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]S)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|S<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]S)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	122.9190	0.000	1	122.9190	0.000	1	121.8906	1.194	9	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H){2|C<4>,6|H<1>}	123.0120	0.000	1	123.0120	0.000	1	121.8906	1.194	9	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	122.9750	0.000	1	122.9750	0.000	1	121.8906	1.194	9	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	121.9700	0.000	1	121.9700	0.000	1	121.8906	1.194	9	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|S<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H){1|C<4>,1|O<2>,2|S<4>,3|H<1>}	121.3710	0.000	1	121.3710	0.000	1	121.8906	1.194	9	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H){3|H<1>,4|C<4>}	120.3040	0.000	1	120.3040	0.000	1	121.8906	1.194	9	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(H)2	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]O)(C[6]C[6]H){1|O<2>,2|C<4>,3|H<1>}	120.1490	0.000	1	120.1490	0.000	1	121.8906	1.194	9	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)2	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]H)(N[5]C[5]S)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H){1|N<3>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,1|S<4>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]H)(N[5]C[5]S){1|C<4>,1|S<4>,6|H<1>}	118.3845	0.272	2	118.3845	0.074	2	118.3845	0.074	2	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[3x5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[3x5]C[5,6])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[5,6](C[3x5]C[5,5]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]O)	C[6](C[5,6]C[3x5]C[5,6])(C[6]C[6]HH)(O){1|C<3>,6|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[3x5]C[5,5]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,2|O<2>,8|H<1>}	113.9870	0.000	1	113.9870	0.000	1	113.9870	0.000	1	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	115.2297	0.355	4	115.1672	0.114	5	115.5208	0.280	12	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	114.9170	0.000	1	115.1672	0.114	5	115.5208	0.280	12	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	116.0910	0.000	1	115.8903	0.034	3	115.5208	0.280	12	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	115.7900	0.092	2	115.8903	0.034	3	115.5208	0.280	12	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|H<1>,2|N<3>,4|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	115.3670	0.748	2	115.3670	0.560	2	115.5208	0.280	12	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	116.4750	0.000	1	116.4750	0.000	1	115.5208	0.280	12	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	115.5330	0.000	1	115.5330	0.000	1	115.5208	0.280	12	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	114.8000	0.000	1	114.8000	0.000	1	114.8000	0.000	1	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	115.4380	0.386	2	115.4380	0.149	2	115.1586	0.297	23	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[5,6](C[5]C[5,6]C[6a]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5]C[5,6]C[6a]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	115.0600	0.000	1	115.0600	0.000	1	115.1586	0.297	23	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	114.7030	0.000	1	115.1643	0.164	7	115.1586	0.297	23	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	114.7990	0.147	2	115.1643	0.164	7	115.1586	0.297	23	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	115.4622	0.208	4	115.1643	0.164	7	115.1586	0.297	23	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,2|O<2>,4|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	115.9970	0.000	1	115.9970	0.000	1	115.1586	0.297	23	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	115.3303	0.401	3	115.3303	0.161	3	115.1586	0.297	23	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	115.6910	0.000	1	115.6910	0.000	1	115.1586	0.297	23	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,5|H<1>}	116.0690	0.000	1	116.0690	0.000	1	115.1586	0.297	23	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	114.3900	0.314	2	114.8252	0.253	5	115.1586	0.297	23	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	114.9010	0.076	2	114.8252	0.253	5	115.1586	0.297	23	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	115.5440	0.000	1	114.8252	0.253	5	115.1586	0.297	23	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	114.3440	0.334	2	114.3440	0.111	2	115.1586	0.297	23	116.8296	8.287	50	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6]2)(C[6]C[6]BrH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(Br)(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)	C[6](C[5,6]C[5,6]2)(C[6]C[6]BrH)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(Br)(H){2|C<4>,2|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){2|Br<1>,1|C<4>,1|S<4>,2|C<3>,4|H<1>}	121.2630	0.000	1	121.2630	0.000	1	121.2630	0.000	1	122.7011	1.203	10	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	123.8990	0.000	1	123.8990	0.000	1	122.8609	1.067	9	122.7011	1.203	10	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H){2|C<4>,6|H<1>}	122.7750	0.000	1	123.1115	0.226	2	122.8609	1.067	9	122.7011	1.203	10	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<4>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H){2|C<4>,7|H<1>}	123.4480	0.000	1	123.1115	0.226	2	122.8609	1.067	9	122.7011	1.203	10	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	123.3175	0.174	4	123.3175	0.030	4	122.8609	1.067	9	122.7011	1.203	10	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	121.6850	0.000	1	121.1780	0.514	2	122.8609	1.067	9	122.7011	1.203	10	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2{1|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H){1|S<4>,2|C<4>,5|H<1>}	120.6710	0.000	1	121.1780	0.514	2	122.8609	1.067	9	122.7011	1.203	10	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:2:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(OH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HO)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(OH)(H){1|C<4>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6]C[6]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:2:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-3:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC[6a])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	121.1300	0.000	1	121.1300	0.000	1	121.1300	0.000	1	121.1300	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:2:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6]2)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(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)	C[6](C[5,6]C[5,6]2)(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|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){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	123.0280	0.000	1	123.0280	0.000	1	122.6120	0.346	2	122.8323	0.568	7	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:2:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6]2)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(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)	C[6](C[5,6]C[5,6]2)(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|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){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	122.1960	0.000	1	122.1960	0.000	1	122.6120	0.346	2	122.8323	0.568	7	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:2:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(OSi)(H)	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]CO)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(OSi)(H){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]CO)(C[6]C[6]H){1|O<2>,2|C<4>,5|H<1>}	124.1520	0.000	1	124.1520	0.000	1	122.9204	0.731	5	122.8323	0.568	7	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:2:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]H){1|C<4>,1|O<2>,5|H<1>}	121.7840	0.000	1	121.7840	0.000	1	122.9204	0.731	5	122.8323	0.568	7	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:2:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,5|H<1>}	123.0050	0.181	2	123.0050	0.033	2	122.9204	0.731	5	122.8323	0.568	7	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:2:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OSi)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OSi)(H){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,5|H<1>}	122.6560	0.000	1	122.6560	0.000	1	122.9204	0.731	5	122.8323	0.568	7	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:3:1:	3:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[5,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]C[6]H)(H){1|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[5,6]H)(H){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	122.1115	0.224	2	122.1115	0.050	2	122.1115	0.050	2	122.1115	0.050	2	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:4:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CC[5]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CC[5]HO)(H){2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]H){1|C<3>,3|H<1>,5|C<4>}	122.4600	0.000	1	122.4600	0.000	1	123.0165	0.619	2	123.0165	0.619	2	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:4:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O)(C[6]C[6]H){1|N<3>,4|C<4>,4|H<1>}	123.5730	0.000	1	123.5730	0.000	1	123.0165	0.619	2	123.0165	0.619	2	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:4:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	123.3725	0.228	2	123.3725	0.052	2	123.2753	0.054	3	123.2753	0.054	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:4:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	123.0810	0.000	1	123.0810	0.000	1	123.2753	0.054	3	123.2753	0.054	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	3:4:4:4:	3:4:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:C-4:C-4:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(CC[3]HO)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(O){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(CC[3]HO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	116.7900	0.000	1	116.7900	0.000	1	116.7900	0.000	1	116.7900	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(O)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[5,6]O)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5a]C[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(O){3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[5,6]O)(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5a]C[5])(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	114.9920	0.000	1	114.9920	0.000	1	114.9920	0.000	1	115.4105	0.350	2	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{2|C<3>,2|S<2>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[6]O){1|C<4>,2|C<3>,2|S<2>,3|H<1>}	115.8290	0.000	1	115.8290	0.000	1	115.8290	0.000	1	115.4105	0.350	2	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	116.9680	0.000	1	116.9680	0.000	1	116.9680	0.000	1	117.0848	10.456	10	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	122.3525	0.260	2	122.3525	0.067	2	122.3525	0.067	2	117.0848	10.456	10	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2{1|C<3>,2|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]H){4|C<4>,4|H<1>}	119.7970	0.000	1	119.7970	0.000	1	119.7970	0.000	1	117.0848	10.456	10	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	3:4:3:	C[5,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5,5]C[5]O[5]2)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6,6]HH)(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(H)2{1|C<3>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[5,5]C[5]O[5]2)(C[6]C[6]O){1|O<1>,4|H<1>,5|C<4>}	114.7730	0.000	1	114.7730	0.000	1	114.7730	0.000	1	117.0848	10.456	10	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	3:4:3:	C[5,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[3]O[5]H)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(H)2{1|C<3>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[3]O[5]H)(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	114.5923	0.289	4	114.5923	0.084	4	114.9210	0.603	5	117.0848	10.456	10	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	3:4:3:	C[5,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O){3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(H)2{1|C<3>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	116.2360	0.000	1	116.2360	0.000	1	114.9210	0.603	5	117.0848	10.456	10	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]H)(H)2	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]H)(H)2{1|C<3>,2|C<4>}	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,3|H<1>}	119.2860	0.000	1	119.2860	0.000	1	119.2860	0.000	1	120.4765	2.980	18	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,5,6]HH)(H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]H)(H)2	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,5,6]HH)(H){1|O<1>,1|O<2>,5|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]H)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5]O[5]O)(C[6]C[6]H){1|O<2>,2|C<4>,4|H<1>}	118.9790	0.000	1	118.9790	0.000	1	118.9790	0.000	1	120.4765	2.980	18	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H){1|C<4>,5|C<3>,6|H<1>}	119.1170	0.000	1	119.1170	0.000	1	119.1170	0.000	1	120.4765	2.980	18	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)	C[6](C[5,6]C[5,6]N[5])(C[6]C[5,6]HH)(H){1|C<3>,2|O<2>,4|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(H)2{1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	121.7640	0.000	1	121.7640	0.000	1	121.7640	0.000	1	120.4765	2.980	18	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]H)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]H)(H)2{1|C<3>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,3|H<1>}	120.8710	0.000	1	120.8710	0.000	1	121.1410	0.211	8	120.4765	2.980	18	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2{1|C<3>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,3|H<1>}	121.3700	0.023	2	121.3475	0.041	6	121.1410	0.211	8	120.4765	2.980	18	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2{1|C<3>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H){3|C<4>,4|H<1>}	121.3363	0.261	4	121.3475	0.041	6	121.1410	0.211	8	120.4765	2.980	18	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]H)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H){2|C<4>,5|H<1>}	120.1720	0.000	1	120.1720	0.000	1	121.1410	0.211	8	120.4765	2.980	18	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)2	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(C[6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(C[6]C[6]H){2|C<3>,3|C<4>,5|H<1>}	118.3950	0.000	1	118.3950	0.000	1	118.3950	0.000	1	120.4765	2.980	18	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2{1|C<3>,1|H<1>,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]H){1|C<3>,2|C<4>,4|H<1>}	121.8180	0.303	2	121.8180	0.092	2	121.6767	0.185	4	120.4765	2.980	18	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2{1|C<3>,1|H<1>,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){1|O<2>,3|C<4>,6|H<1>}	121.9730	0.000	1	121.5355	0.383	2	121.6767	0.185	4	120.4765	2.980	18	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2{1|C<3>,1|H<1>,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){3|C<4>,7|H<1>}	121.0980	0.000	1	121.5355	0.383	2	121.6767	0.185	4	120.4765	2.980	18	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(O)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]O)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]C)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	115.2010	0.000	1	115.2010	0.000	1	115.2010	0.000	1	120.4765	2.980	18	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[6]-4:Cl-1:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[5,6]ClH)(Cl)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]Cl)(Cl)(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]Cl)	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[5,6]ClH)(Cl){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]Cl)(Cl)(H){1|C<3>,2|H<1>,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]Cl){10|H<1>,1|Cl<1>,1|C<3>,3|C<4>}	123.0760	0.000	1	123.0760	0.000	1	123.0760	0.000	1	123.1519	1.278	10	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]H)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5]O[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6,6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]H)(H)2{2|C<3>,5|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5]O[5]HH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	123.1660	0.000	1	123.1660	0.000	1	123.1660	0.000	1	123.1519	1.278	10	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6]2)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2{7|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	122.2650	0.167	2	122.2650	0.028	2	122.2650	0.028	2	123.1519	1.278	10	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	123.8055	0.049	2	123.8055	0.002	2	123.4578	1.866	6	123.1519	1.278	10	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2{1|C<3>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	122.9725	0.456	2	122.9725	0.208	2	123.4578	1.866	6	123.1519	1.278	10	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]H)(H)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]H)(H)2{2|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]H){2|C<4>,7|H<1>}	125.6410	0.000	1	125.6410	0.000	1	123.4578	1.866	6	123.1519	1.278	10	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2{7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<4>}	121.5500	0.000	1	121.5500	0.000	1	123.4578	1.866	6	123.1519	1.278	10	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:2:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[3,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[3,6]HO)(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[5,6]H)(OH)(H)	C[5,6](C[5,6,6]C[3,6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[3,6]HO)(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[5,6]H)(OH)(H){1|C<3>,2|C<4>}	C[5,6](C[5,6,6]C[3,6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	123.8220	0.000	1	123.8220	0.000	1	123.8220	0.000	1	121.1320	6.065	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:2:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC[6])(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)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC[6])(H){1|C<3>,1|H<1>,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){1|O<2>,3|C<4>,6|H<1>}	120.5860	0.000	1	120.5860	0.000	1	119.7870	1.277	2	121.1320	6.065	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:2:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OH)(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)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OH)(H){1|C<3>,1|H<1>,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){1|O<2>,3|C<4>,6|H<1>}	118.9880	0.000	1	118.9880	0.000	1	119.7870	1.277	2	121.1320	6.065	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:2:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]O[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(OH)(H){7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]O[5]HH)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	122.6330	0.000	1	122.6330	0.000	1	123.2720	0.511	3	122.4980	1.571	5	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:2:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]H)(OH)(H)	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]H)(OH)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	123.5915	0.640	2	123.5915	0.410	2	123.2720	0.511	3	122.4980	1.571	5	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:2:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC)(H){1|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]H){3|C<4>,3|O<2>,4|H<1>}	120.7170	0.000	1	120.7170	0.000	1	121.3370	0.769	2	122.4980	1.571	5	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:2:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(OC)(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)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H){1|N<4>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	121.9570	0.000	1	121.9570	0.000	1	121.3370	0.769	2	122.4980	1.571	5	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6,6]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6]S[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6,6]C[6a]H)(H){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6]S[5])(C[6]C[6]H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	123.3410	0.560	2	123.3410	0.314	2	123.3410	0.314	2	123.0697	0.208	4	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|H<1>,1|S<4>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,5|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){1|C<4>,2|H<1>,3|C<3>,3|O<1>}	122.7985	0.121	2	122.7985	0.015	2	122.7985	0.015	2	123.0697	0.208	4	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6,6a]-3:C[5,5]-3:C[6]-3:	C[6](C[5,6]C[5,6,6a]C[5,5])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(CC3)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5]C[5,5]N[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5,5])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(CC3)(H){3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5]C[5,5]N[5])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	121.1450	0.000	1	121.1450	0.000	1	121.1450	0.000	1	121.4905	0.166	4	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(CC3)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]N)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(CC3)(H){3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]N)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	121.6045	0.583	2	121.6045	0.340	2	121.6045	0.340	2	121.4905	0.166	4	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C[6]-4:H-1:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(C[6]C[6]2H)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]N)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]2H)(H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(C[6]C[6]2H)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]N)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	121.6080	0.000	1	121.6080	0.000	1	121.6080	0.000	1	121.4905	0.166	4	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:4:1:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]O)(C[6]C[6]H){3|H<1>,4|C<4>}	122.6470	0.000	1	122.6470	0.000	1	122.6470	0.000	1	122.6470	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:4:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CCHH)(H)	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(C[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	122.8930	0.000	1	122.8930	0.000	1	122.8930	0.000	1	122.8930	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:4:3:	4:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(CH3)(CCO)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(CH3)(CCO){2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]O)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	118.0007	0.376	3	118.0007	0.141	3	118.0007	0.141	3	118.0007	0.141	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:	4:3:4:4:	3:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[5,6,6a]-3:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]H)(CH3)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(N[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[6]CC)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,1|N<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(N[5]C[6a]C[5])(C[6]C[6]H){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	119.7470	0.177	6	119.7470	0.031	6	119.7470	0.031	6	119.7470	0.031	6	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:2:	3:3:4:1:	3:3:3:	C[5,6]-3:C[6]-4:C-2:	C[6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CN)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CN){1|H<1>,2|C<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|N<3>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,2|C<3>,6|H<1>}	121.2690	0.000	1	121.2690	0.000	1	121.2690	0.000	1	121.2690	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:O-2:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]HH)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	118.7650	0.000	1	118.7650	0.000	1	118.7650	0.000	1	118.7650	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:2:	4:3:2:1:	4:2:3:	C[5,6]-3:C[6]-4:C-2:	C[6]-4:C[6]-3:C-2:H-1:	C[5,6]-4:N[5]-2:C[6]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(CN)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]C)(CN)(H)	C[5,6](C[5,6]N[5,6]C[6]C)(N[5]C[5,6])(C[6]C[6]C)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(CN){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]C)(CN)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6](C[5,6]N[5,6]C[6]C)(N[5]C[5,6])(C[6]C[6]C){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	122.6520	0.000	1	122.6520	0.000	1	122.6520	0.000	1	122.6520	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:2:	4:3:4:3:	3:4:3:	C[5,6]-3:C[6]-4:N-2:	C[6]-4:C[6]-3:C-4:C-3:	C[5,5a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,5a]C[5,6])(C[6]C[6]CC)(NC)	C[6](C[6]C[6]ClH)(C[6]C[5,6]N)(CH3)(CCH)	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6]H)(C[6]C[6]N)	C[6](C[5,6]C[5,5a]C[5,6])(C[6]C[6]CC)(NC){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[5,6]N)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6]H)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	125.1520	0.000	1	125.1520	0.000	1	125.1520	0.000	1	125.1520	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:3:1:1:	3:3:3:	C[5,6]-3:C[6]-4:N-3:	C[6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]N[6]HH)(NOO)	C[6](C[6]C[5,6]N)(N[6]C[6]C)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)	C[6](C[5,6]N[5,6]N[5])(C[6]N[6]HH)(NOO){5|C<4>}	C[6](C[6]C[5,6]N)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C){1|N<3>,8|H<1>}	119.7680	1.037	2	119.7680	1.075	2	119.7680	1.075	2	119.7680	1.075	2	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:3:1:1:	3:4:3:	C[5,6]-3:C[6]-4:N-3:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)	C[6](C[6]C[5,6]N)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]N)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]N)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]N){1|C<3>,7|H<1>}	119.2760	0.000	1	119.2760	0.000	1	119.2760	0.000	1	119.2760	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:3:1:1:	4:3:2:	C[5,6]-3:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]N[6]HH)(CC[6a]H)	C[6](C[6]C[5,6]C)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]N[5])	C[6](C[5,6]C[5,6]N[5])(C[6]N[6]HH)(CC[6a]H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[5,6]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]N[5]){1|N<3>,2|C<3>,5|H<1>}	112.6850	0.000	1	112.6850	0.000	1	112.6850	0.000	1	112.6850	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(COO)	C[6](C[6]C[5,6]C)2(H)2	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)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(COO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]C)2(H)2{1|C<4>,1|H<1>,2|N<3>}	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){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	116.5620	0.000	1	116.5620	0.000	1	116.5620	0.000	1	116.5620	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:3:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6,6]H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]HH)(C[6]C[6]C)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(COO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6,6]H)(H)2{3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]HH)(C[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	118.7155	0.351	2	118.7155	0.124	2	118.7155	0.124	2	118.7155	0.124	2	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:3:3:1:	3:3:2:	C[5,6]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6a]N[6]H)(CC[6a]H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6a]N[6]H)(CC[6a]H){2|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	114.0650	0.000	1	114.0650	0.000	1	114.0650	0.000	1	114.0650	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:3:3:1:	3:3:3:	C[5,6]-3:C[6]-4:C-3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,2|C<3>,5|H<1>}	118.7070	0.000	1	118.7070	0.000	1	118.7070	0.000	1	118.7070	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:3:4:1:	3:3:3:	C[5,6]-3:C[6]-4:C-3:	C[5a]-3:C[6]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[5a]C[6]H)(CCO)	C[6](C[5a]C[5a]O[5a])(C[6]C[5,6]C)(C[6]C[6]CH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[5a]C[6]H)(CCO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[5,6]C)(C[6]C[6]CH)(H){1|H<1>,1|S<1>,2|C<3>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|S<1>,5|H<1>}	117.0120	0.000	1	117.0120	0.000	1	117.0120	0.000	1	117.1372	0.212	4	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:3:4:1:	3:3:3:	C[5,6]-3:C[6]-4:C-3:	C[6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	116.9890	0.000	1	117.1790	0.308	3	117.1790	0.308	3	117.1372	0.212	4	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:3:4:1:	3:3:3:	C[5,6]-3:C[6]-4:C-3:	C[6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	117.2740	0.750	2	117.1790	0.308	3	117.1790	0.308	3	117.1372	0.212	4	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:2:3:	C[5,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:S[5]-2:C[6]-3:	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]HH)(CC[6a]O)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(C[6]C[6]C)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)2{1|N<3>,1|S<2>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	117.5740	0.000	1	117.5740	0.000	1	117.5740	0.000	1	117.5740	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:2:	C[5,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CHO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(S[5]S[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CHO){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(S[5]S[5]){1|C<4>,5|H<1>}	120.5160	0.000	1	120.5160	0.000	1	120.5160	0.000	1	120.5160	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)2{1|O<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,1|O<1>,6|H<1>}	115.3070	0.000	1	115.3070	0.000	1	115.7390	0.517	3	118.0672	6.749	6	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,1|O<1>,6|H<1>}	115.3410	0.000	1	115.3410	0.000	1	115.7390	0.517	3	118.0672	6.749	6	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O)	C[6](C[6]C[5,6]C)(C[6]C[6]HN)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O){1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<3>,1|C<4>,7|H<1>}	116.5690	0.000	1	116.5690	0.000	1	115.7390	0.517	3	118.0672	6.749	6	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:N-3:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(NOO)	C[6](C[6]C[5,6]N)(C[6]C[6]CH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(NOO){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]N)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]H){1|C<4>,3|C<3>,5|H<1>}	120.7400	0.000	1	120.7400	0.000	1	120.3953	0.094	3	118.0672	6.749	6	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:N-3:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(NOO)	C[6](C[6]C[5,6]N)(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(NOO){2|H<1>,4|C<4>}	C[6](C[6]C[5,6]N)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C){1|C<4>,1|O<2>,7|H<1>}	120.2230	0.102	2	120.2230	0.010	2	120.3953	0.094	3	118.0672	6.749	6	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CC[6a]O)	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CC[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	122.6380	0.000	1	122.6380	0.000	1	122.6380	0.000	1	122.6380	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	4:3:2:	C[5,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]N[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]H){1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]N[5]){1|C<4>,2|C<3>,5|H<1>}	111.9135	2.894	2	111.9135	8.376	2	111.9135	8.376	2	111.9135	8.376	2	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:4:2:1:	3:3:3:	C[5,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CCH)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CCH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	111.3950	0.000	1	111.3950	0.000	1	111.3950	0.000	1	111.3950	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:4:4:1:	3:2:3:	C[5,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:O[5]-2:C[6]-3:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(CC[5a]O)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H)	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]C)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(CC[5a]O){2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H){1|N<3>,1|O<1>,1|O<2>}	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	117.2410	0.000	1	117.2410	0.000	1	117.2410	0.000	1	117.4085	0.056	2	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:4:4:1:	3:2:3:	C[5,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:S[5]-2:C[6]-3:	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]CH)(CC[6a]O)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H)	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(C[6]C[6]C)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]CH)(CC[6a]O){2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H){1|N<3>,1|O<1>,1|S<2>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(C[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	117.5760	0.000	1	117.5760	0.000	1	117.5760	0.000	1	117.4085	0.056	2	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:4:4:1:	3:4:3:	C[5,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]CH)(CCO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CHHO)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]C)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]CH)(CCO){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]C){2|C<4>,7|H<1>}	117.9990	0.000	1	117.9990	0.000	1	117.9990	0.000	1	117.9990	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:4:4:1:	4:3:3:	C[5,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:C-4:H-1:	C[5,5]-4:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]CH)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]C)	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]CH)(COO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]C){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	117.5650	0.000	1	117.5650	0.000	1	117.5650	0.000	1	117.5650	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:4:4:2:	4:3:3:	C[5,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCH)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[5]HH)(OH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]Si)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCH){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[5]HH)(OH){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]Si)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	113.4940	0.324	2	113.4940	0.105	2	113.4940	0.105	2	113.4940	0.105	2	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	3:4:4:4:	4:3:3:	C[5,6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(CCH)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(CCH){2|H<1>,5|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C){1|O<2>,3|C<4>,5|H<1>}	115.9680	0.000	1	115.9680	0.000	1	115.9680	0.000	1	115.9680	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	4:3:1:1:	3:2:3:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:Se[5]-2:C[6]-3:	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(CHO)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]C)(H)2	C[5,6](C[5,6]C[5]C[6])(Se[5]Se[5])(C[6]C[6]C)	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(CHO){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]C)(H)2{1|Se<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(Se[5]Se[5])(C[6]C[6]C){1|C<4>,5|H<1>}	120.4170	0.000	1	120.4170	0.000	1	120.4170	0.000	1	120.4170	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	4:3:1:1:	3:3:2:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]HH)(CCO)	C[6](C[6]C[6a]C[6]S)(C[6]C[5,6]C)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(S[5]C[5])	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]HH)(CCO){1|S<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]S)(C[6]C[5,6]C)(H)2{1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(S[5]C[5]){1|C<4>,1|O<1>,6|H<1>}	117.1920	0.000	1	117.1920	0.000	1	117.1920	0.000	1	117.1920	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:Cl-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]ClH)(COO)	C[6](C[6]C[6]ClH)(C[6]C[5,6]C)(Cl)(H)	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]C[6]C)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]ClH)(COO){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]ClH)(C[6]C[5,6]C)(Cl)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]C[6]C){2|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.0300	0.000	1	121.0300	0.000	1	121.0300	0.000	1	121.0300	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	4:3:1:1:	4:2:3:	C[5,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:N[5]-2:C[6]-3:	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO)	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6]C[5,6]C)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a])(C[6]C[6]C)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO){2|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6]C[5,6]C)(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a])(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	117.1730	0.000	1	117.1730	0.000	1	117.5300	0.255	2	117.5300	0.255	2	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	4:3:1:1:	4:2:3:	C[5,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:N[5]-2:C[6]-3:	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(N[5]C[5,6])(C[6]C[6]C)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO){2|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(N[5]C[5,6])(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	117.8870	0.000	1	117.8870	0.000	1	117.5300	0.255	2	117.5300	0.255	2	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C-3:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[5,6,6]HH)(COO)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[5,6,6]HH)(COO){1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2{1|O<2>,2|N<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	117.4290	0.646	3	117.6333	0.445	4	117.6333	0.445	4	117.2520	1.225	17	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C-3:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[5,6,6]HH)(COO)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[5,6,6]HH)(COO){1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2{2|N<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	118.2460	0.000	1	117.6333	0.445	4	117.6333	0.445	4	117.2520	1.225	17	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO)	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6]C[5,6]C)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6]C[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	117.6290	0.505	2	117.6290	0.255	2	117.2924	0.854	8	117.2520	1.225	17	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(N[5]C[5,6]H)(C[6]C[6]C)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(N[5]C[5,6]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	116.4080	0.000	1	116.4080	0.000	1	117.2924	0.854	8	117.2520	1.225	17	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	117.2290	1.222	4	117.3346	1.176	5	117.2924	0.854	8	117.2520	1.225	17	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	117.7570	0.000	1	117.3346	1.176	5	117.2924	0.854	8	117.2520	1.225	17	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH)	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]O)(C[5]C[5,5]C)(C[6]C[6]C)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2{2|C<3>,2|C<4>}	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]O)(C[5]C[5,5]C)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	114.1380	0.000	1	114.1380	0.000	1	116.8824	2.752	5	117.2520	1.225	17	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH)	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5]C[5]C)(C[6]C[6]C)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2{2|C<3>,2|C<4>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5]C[5]C)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	117.7230	0.000	1	117.7230	0.000	1	116.8824	2.752	5	117.2520	1.225	17	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH)	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2{2|C<3>,2|C<4>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C){1|C<3>,3|C<4>,5|H<1>}	117.4775	1.247	2	117.5170	0.782	3	116.8824	2.752	5	117.2520	1.225	17	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH)	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2{2|C<3>,2|C<4>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	117.5960	0.000	1	117.5170	0.782	3	116.8824	2.752	5	117.2520	1.225	17	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	4:3:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(CC[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,6]2H)(C[5]O[5]HH)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(CC[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]2H)(C[5]O[5]HH)(C[6]C[6]C){1|C<3>,3|C<4>,3|H<1>}	114.7710	0.000	1	114.7710	0.000	1	114.7710	0.000	1	114.7710	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:	4:3:3:1:	3:3:2:	C[5,6]-3:C[6]-4:N-3:	C[6]-4:C[6]-3:C[6a]-3:H-1:	N[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)(NOO)	C[6](C[6]C[6a]C[6]S)(C[6]C[5,6]N)(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(S[5]C[5])	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)(NOO){1|S<2>,2|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6]S)(C[6]C[5,6]N)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(S[5]C[5]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	121.2060	0.000	1	121.2060	0.000	1	121.2060	0.000	1	121.2060	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	3:2:4:4:	4:3:3:	C[5,6]-3:C[6]-4:C-4:	C[6]-3:O[6]-2:C-4:C-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CC)(CH3)	C[6](C[6]C[5,6]C)(O[6]O[6])(CH3)2	C[5,6](C[5,6]C[5,6]O[6]O)(C[5]O[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CC)(CH3){1|C<4>,1|O<1>,3|O<2>}	C[6](C[6]C[5,6]C)(O[6]O[6])(CH3)2{1|C<3>,1|C<4>}	C[5,6](C[5,6]C[5,6]O[6]O)(C[5]O[5]O)(C[6]C[6]C){1|O<2>,4|C<4>}	116.1090	0.000	1	116.1090	0.000	1	116.1090	0.000	1	116.1090	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]HH)(CCCH)	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]HH)(CCCH){1|C<3>,1|S<4>,4|C<4>}	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C){1|N<3>,8|H<1>}	120.6460	0.000	1	120.6460	0.000	1	120.6460	0.000	1	120.7727	0.170	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C[6]-4:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH)	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH){1|C<3>,1|S<4>,5|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2{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]2){1|N<3>,2|C<4>,8|H<1>}	121.2340	0.000	1	120.8360	0.317	2	120.8360	0.317	2	120.7727	0.170	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C[6]-4:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH)	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH){1|C<3>,1|S<4>,5|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2{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]2){1|N<3>,2|C<4>,9|H<1>}	120.4380	0.000	1	120.8360	0.317	2	120.8360	0.317	2	120.7727	0.170	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHN)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHN){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C){1|C<3>,1|S<4>,5|H<1>}	120.5370	0.000	1	120.5370	0.000	1	120.5370	0.000	1	121.0363	0.676	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[3,5]C[5,6])(C[6]N[6]HH)(CH3)	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2	C[5,6](C[3,5]C[3]2C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]C)	C[6](C[5,6]C[3,5]C[5,6])(C[6]N[6]HH)(CH3){1|C<3>,1|H<1>,1|S<4>,4|C<4>}	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	C[5,6](C[3,5]C[3]2C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]C){10|H<1>,1|N<3>,1|O<1>}	121.9850	0.000	1	121.9850	0.000	1	121.9850	0.000	1	121.0363	0.676	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C[6]-4:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH)	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]2)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH){1|S<4>,5|H<1>,7|C<4>}	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2{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]2){1|N<3>,2|C<4>,9|H<1>}	120.5870	0.000	1	120.5870	0.000	1	120.5870	0.000	1	121.0363	0.676	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	3:3:3:1:	3:3:3:	C[5,6]-3:C[6]-4:C-4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(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]C)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(CH3){1|H<1>,1|S<4>,5|C<3>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]C){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	120.8040	0.000	1	120.8040	0.000	1	120.8040	0.000	1	120.8040	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	3:3:3:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-3:C-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CC[6a]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){2|C<4>,4|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CC[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]C){1|O<1>,3|H<1>,4|C<3>}	118.7170	0.000	1	118.7170	0.000	1	118.7170	0.000	1	118.7170	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	3:3:4:1:	3:2:3:	C[5,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[5,6]-3:O[5]-2:C[6]-3:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(CC3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CCHH)(H)	C[5,6](C[5,6]C[6]N[5])(O[5]In[5,5])(C[6]C[6]C)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(CC3){1|In<5>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[6]N[5])(O[5]In[5,5])(C[6]C[6]C){1|C<4>,1|I<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.3725	0.095	2	119.3725	0.009	2	119.5090	0.044	4	119.5090	0.044	4	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	3:3:4:1:	3:2:3:	C[5,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[5,6]-3:O[5]-2:C[6]-3:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(CC3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)(H)	C[5,6](C[5,6]C[6]N[5])(O[5]In[5,5])(C[6]C[6]C)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(CC3){1|In<5>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[6]N[5])(O[5]In[5,5])(C[6]C[6]C){1|C<4>,1|I<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.6455	0.217	2	119.6455	0.047	2	119.5090	0.044	4	119.5090	0.044	4	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	3:3:4:1:	4:4:3:	C[5,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]C){1|C<3>,3|C<4>,4|H<1>}	121.7790	0.000	1	121.7790	0.000	1	121.7790	0.000	1	121.7790	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CCCH)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	116.0640	0.348	2	116.0640	0.121	2	116.3533	0.312	3	116.3533	0.312	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	116.9320	0.000	1	116.9320	0.000	1	116.3533	0.312	3	116.3533	0.312	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CHHO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CHHO){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	121.0975	0.115	2	121.0975	0.013	2	121.0975	0.013	2	120.5182	3.073	4	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCHH)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]C)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCHH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	117.9560	0.000	1	117.9560	0.000	1	117.9560	0.000	1	120.5182	3.073	4	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:P-4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(PC[6a]2O)	C[6](C[6]C[5,6]P)(C[6]C[6]CC)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]P)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(PC[6a]2O){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[5,6]P)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]P){2|C<3>,3|C<4>,5|H<1>}	121.9220	0.000	1	121.9220	0.000	1	121.9220	0.000	1	120.5182	3.073	4	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]O)(C[6]C[6]C){1|C<3>,1|C<4>,5|H<1>}	120.0353	1.359	8	120.0353	1.847	8	120.0353	1.847	8	120.0353	1.847	8	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	3:4:4:1:	4:4:3:	C[5,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(CClHH)	C[6](C[6]C[5,6]C)(C[6]C[6]2C)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(CClHH){1|C<3>,2|H<1>,2|O<2>,6|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]2C)(C[6]C[6]HO)(H){1|C<3>,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]C){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	121.4340	0.000	1	121.4340	0.000	1	121.4340	0.000	1	121.4340	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	4:3:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(CH3)	C[6](C[6,6]C[6]3)(C[6]C[5,6]C)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[5,6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]C){1|S<4>,2|C<4>,4|H<1>}	117.3550	0.000	1	117.3550	0.000	1	117.3550	0.000	1	120.1680	5.986	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	4:3:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CH3)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]C)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]C)(H)2{1|C<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]C){1|C<4>,4|H<1>,5|C<3>}	121.5745	0.319	2	121.5745	0.102	2	121.5745	0.102	2	120.1680	5.986	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	4:3:1:1:	4:2:3:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:C[6]-3:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]C)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[5,6]C)(H)2{1|C<4>,1|O<2>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	117.9550	0.000	1	117.9550	0.000	1	117.9550	0.000	1	117.9550	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[3x5,6]C[5])(C[6]C[6]HH)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]O)(C[6]C[6]C)	C[6](C[5,6]C[3x5,6]C[5])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]O)(C[6]C[6]C){1|Si<4>,1|O<2>,4|C<4>,4|H<1>}	115.6330	0.000	1	115.6330	0.000	1	115.6330	0.000	1	115.6330	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	4:3:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6]2)(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]C)	C[6](C[5,6]C[5,6]2)(C[6]C[5,6]HH)(CH3){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]C){3|C<3>,3|C<4>,6|H<1>}	116.6825	0.562	2	116.6825	0.316	2	116.6825	0.316	2	116.6825	0.316	2	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	4:3:2:1:	4:4:3:	C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]O[6]H)(CH3){2|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(C[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	115.1815	0.035	2	115.1815	0.001	2	115.1815	0.001	2	115.1815	0.001	2	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:	4:3:3:1:	4:4:3:	C[5,6]-3:C[6]-4:C-4:	C[3,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,6]CH)(CH3)	C[6](C[3,6]C[3]2C[6])(C[6]C[5,6]C)(CN[5]O)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,6]CH)(CH3){1|N<3>,2|H<1>,5|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[5,6]C)(CN[5]O)(H){2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	121.4225	0.081	2	121.4225	0.007	2	121.4225	0.007	2	121.4225	0.007	2	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	4:3:1:	4:3:3:1:	3:4:3:	C[6]-4:C[5,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6a]-3:H-1:	C[5,6]-3:B[5]-4:C[6]-3:	C[6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]B[5])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6]P[5])(B[5]C[6a]2N[5])(C[6]C[6]H)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]B[5])(H){1|C<4>,1|H<1>,1|N<3>,1|P<4>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6]P[5])(B[5]C[6a]2N[5])(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,7|C<3>}	122.2350	0.000	1	122.2350	0.000	1	122.2350	0.000	1	122.2350	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[5,6]-3:C-2:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CN)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(N[5]C[5]H)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CN){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	121.6470	0.000	2	121.6470	0.000	2	121.6470	0.000	2	121.5203	0.048	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[5,6]-3:C-2:	C[6,6a]-3:C[6]-3:C[6a]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]C)(N[5]C[5]H)	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(CN){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]C)(N[5]C[5]H){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	121.2670	0.000	1	121.2670	0.000	1	121.2670	0.000	1	121.5203	0.048	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[5,6]-3:C-3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	N[5,6]-3:C[6]-3:S[5]-2:	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(S[5]C[5])	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CCO){2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(S[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	119.7840	0.000	1	119.7840	0.000	1	119.7753	0.127	3	119.7753	0.127	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[5,6]-3:C-3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	N[5,6]-3:C[6]-3:S[5]-2:	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[5a]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(S[5]C[5])	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[5a]O){2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(S[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	119.4150	0.000	1	119.4150	0.000	1	119.7753	0.127	3	119.7753	0.127	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[5,6]-3:C-3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	N[5,6]-3:C[6]-3:S[5]-2:	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(S[5]C[5])	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[6a]O){2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(S[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	120.1270	0.000	1	120.1270	0.000	1	119.7753	0.127	3	119.7753	0.127	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[5,6]-3:C-3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CC[6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(N[5]C[5]H)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CC[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(N[5]C[5]H){3|C<3>,5|H<1>}	118.0960	0.000	2	118.0960	0.000	2	118.0960	0.000	2	118.2137	0.042	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[5,6]-3:C-3:	C[6,6a]-3:C[6]-3:C[6a]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]C)(N[5]C[5]H)	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(COO){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]C)(N[5]C[5]H){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	118.4490	0.000	1	118.4490	0.000	1	118.4490	0.000	1	118.2137	0.042	3	119.2534	9.593	318	118.9976	11.128	421
762	466	818	6:SP2_SP2_SP3	C[6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:3:4:	C[5]-4:C[5,6]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:	C[6](C[5]C[5,6a]C[5]H)(C[5,6]N[5,6]C[5])(C[6]C[6]HH)	C[6](C[6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS)	C[6](C[5]C[5,6a]C[5]H)(C[5,6]N[5,6]C[5])(C[6]C[6]HH){1|O<1>,1|S<4>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS){2|C<4>,4|C<3>,6|H<1>}	120.4890	0.000	1	120.4890	0.000	1	120.4890	0.000	1	120.4890	0.000	1	119.2534	9.593	318	118.9976	11.128	421
762	466	830	0:SP2_SP-NON_SP3	C[6,6]	C[4x6]	F	3:4:1:	4:3:3:1:	3:	C[6,6]-3:C[4x6]-4:F-1:	C[3x6]-4:C[3x6]-3:C[6,6]-3:F-1:	C[6,6]-3:	C[6,6](C[6,6]C[4,3x6]C[6a])(C[4x6]C[3x6]2F)(F)	C[4x6](C[3x6]C[4,3x6]HH)(C[3x6]C[4,3x6]O)(C[6,6]C[6,6]F)(F)	F(C[6,6]C[4x6]C[6,6])	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>}	C[4x6](C[3x6]C[4,3x6]HH)(C[3x6]C[4,3x6]O)(C[6,6]C[6,6]F)(F){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	F(C[6,6]C[4x6]C[6,6])	117.7760	0.000	1	117.7760	0.000	1	117.7760	0.000	1	117.7760	0.000	1	119.0990	3.501	2	115.1351	7.633	16
762	466	830	0:SP2_SP-NON_SP3	C[6,6]	C[4x6]	F	3:4:1:	4:4:3:1:	3:	C[6,6]-3:C[4x6]-4:F-1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[6,6]C[4,3x6]F)(C[4x6]C[3x6]2H)(F)	C[4x6](C[3x6]C[4,3x6]HH)2(C[6,6]C[6,6]F)(H)	F(C[6,6]C[4x6]C[6,6])	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>}	C[4x6](C[3x6]C[4,3x6]HH)2(C[6,6]C[6,6]F)(H){2|C<4>,3|F<1>}	F(C[6,6]C[4x6]C[6,6])	120.4220	0.000	1	120.4220	0.000	1	120.4220	0.000	1	120.4220	0.000	1	119.0990	3.501	2	115.1351	7.633	16
762	466	830	0:SP2_SP-NON_SP3	C[6]	C[6,6]	F	4:3:1:	4:4:3:1:	3:	C[6,6]-4:C[6]-3:F-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[6,6]2H)(C[6]N[6]H)(F)	C[6,6](C[6,6]C[6,6]FH)(C[6,6]C[6]3)(C[6]C[6]F)(H)	F(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]2H)(C[6]N[6]H)(F){1|F<1>,1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]FH)(C[6,6]C[6]3)(C[6]C[6]F)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	F(C[6]C[6,6]C[6])	115.5250	0.000	1	115.5250	0.000	1	115.5250	0.000	1	115.5250	0.000	1	115.5250	0.000	1	115.1351	7.633	16
762	466	830	0:SP2_SP-NON_SP3	C[6]	C[6]	F	3:4:1:	4:3:1:1:	3:	C[6]-3:C[6]-4:F-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]FH)(F)	C[6](C[6]C[5,6]HH)(C[6]C[6]F)(F)(H)	F(C[6]C[6]2)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]FH)(F){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]F)(F)(H){1|C<4>,1|H<1>,2|C<3>}	F(C[6]C[6]2)	112.9340	0.052	2	112.9340	0.003	2	112.9340	0.003	2	112.9340	0.003	2	114.4953	6.175	13	115.1351	7.633	16
762	466	830	0:SP2_SP-NON_SP3	C[6]	C[6]	F	4:3:1:	3:3:1:1:	3:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:Cl-1:F-1:	C[6]-3:	C[6](C[6]C[6]ClF)(C[6]C[3,6]F)(F)	C[6](C[6]C[3,6]O)(C[6]C[6]F)(Cl)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]ClF)(C[6]C[3,6]F)(F){1|F<1>,1|O<1>,2|C<4>}	C[6](C[6]C[3,6]O)(C[6]C[6]F)(Cl)(F){2|C<4>,2|F<1>}	F(C[6]C[6]2)	114.7055	0.118	2	114.7055	0.014	2	114.7055	0.014	2	114.7055	0.014	2	114.4953	6.175	13	115.1351	7.633	16
762	466	830	0:SP2_SP-NON_SP3	C[6]	C[6]	F	4:3:1:	3:3:2:2:	3:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:C-2:O-2:	C[6]-3:	C[6](C[6]C[6]CO)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(CC)(OH)	F(C[6]C[6]2)	C[6](C[6]C[6]CO)(C[6]C[6]F)(F){1|C<2>,1|C<3>,1|F<1>,1|O<2>}	C[6](C[6]C[6]F)2(CC)(OH){1|C<4>,2|F<1>}	F(C[6]C[6]2)	113.8275	0.268	6	113.8275	0.072	6	113.8275	0.072	6	113.8275	0.072	6	114.4953	6.175	13	115.1351	7.633	16
762	466	830	0:SP2_SP-NON_SP3	C[6]	C[6]	F	4:3:1:	3:3:4:1:	3:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:B-4:H-1:	C[6]-3:	C[6](C[6]C[6]BH)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(BC[6a]3)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]BH)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(BC[6a]3)(H){1|C<3>,2|F<1>}	F(C[6]C[6]2)	119.5125	2.163	2	119.5125	4.679	2	119.5125	4.679	2	119.5125	4.679	2	114.4953	6.175	13	115.1351	7.633	16
762	466	830	0:SP2_SP-NON_SP3	C[6]	C[6]	F	4:3:1:	4:3:4:1:	3:	C[6]-4:C[6]-3:F-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:	C[6](C[6]C[6]CH)(C[6]C[6]H)(F)	C[6](C[6]S[6]HH)(C[6]C[6]F)(CHHN)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]CH)(C[6]C[6]H)(F){1|S<4>,4|H<1>}	C[6](C[6]S[6]HH)(C[6]C[6]F)(CHHN)(H){1|C<4>,1|H<1>,2|O<1>}	F(C[6]C[6]2)	111.1700	0.000	1	111.1700	0.000	1	111.1700	0.000	1	111.1700	0.000	1	114.4953	6.175	13	115.1351	7.633	16
762	466	846	0:SP2_SP2_SP3	C[6]	C[6]	C[4]	3:4:3:	3:2:1:1:	4:4:3:	C[6]-3:C[6]-4:C[4]-3:	C[6]-3:O[6]-2:H-1:H-1:	C[4]-4:C[4]-4:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]O[6]HH)(C[4]C[4]2)	C[6](C[6]C[4]C[6])(O[6]S[6])(H)2	C[4](C[4]C[4]HH)2(C[6]C[6]2)	C[6](C[6]C[6a]N[6])(C[6]O[6]HH)(C[4]C[4]2){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]C[4]C[6])(O[6]S[6])(H)2{1|C<3>,1|N<2>,2|C<4>,2|O<1>}	C[4](C[4]C[4]HH)2(C[6]C[6]2){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	120.7750	0.000	1	120.7750	0.000	1	120.7750	0.000	1	120.7750	0.000	1	119.3320	7.532	3	119.3320	7.532	3
762	466	846	0:SP2_SP2_SP3	C[6]	C[6]	C[4]	3:4:3:	3:4:1:1:	4:3:3:	C[4]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	P[4]-4:C[4]-3:C[6]-3:	C[6](C[4]C[4]P[4])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)2	C[4](P[4]C[6a]2B[4])(C[4]B[4]C)(C[6]C[6]2)	C[6](C[4]C[4]P[4])(C[6]C[6]HH)(C[6]C[6]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[4](P[4]C[6a]2B[4])(C[4]B[4]C)(C[6]C[6]2){2|C<4>,3|H<1>,6|C<3>}	118.6105	3.456	2	118.6105	11.941	2	118.6105	11.941	2	118.6105	11.941	2	119.3320	7.532	3	119.3320	7.532	3
762	466	846	6:SP2_SP2_SP3	C[6,6]	C[6]	C[4,6,6]	3:4:4:	3:4:2:1:	4:4:3:	C[4,6,6]-3:C[5,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[4,6,6]-4:C[4,6]-4:C[6,6]-3:	C[6,6](C[4,6,6]C[4,6,6]C[4,6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)	C[6](C[6,6]C[4,6,6]C[5,6])(C[6]C[6,6]HH)(OH)(H)	C[4,6,6](C[4,6,6]C[4,6]C[6,6]C)(C[4,6]C[4,6]C[6]O)(C[6,6]C[5,6]C[6])	C[6,6](C[4,6,6]C[4,6,6]C[4,6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HO){1|O<1>,1|O<2>,2|H<1>,7|C<4>}	C[6](C[6,6]C[4,6,6]C[5,6])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	C[4,6,6](C[4,6,6]C[4,6]C[6,6]C)(C[4,6]C[4,6]C[6]O)(C[6,6]C[5,6]C[6]){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	118.3540	0.000	1	118.3540	0.000	1	118.3540	0.000	1	118.3540	0.000	1	118.3540	0.000	1	117.2836	9.026	34
762	466	846	6:SP2_SP2_SP3	C[6]	C[6]	C[4,6]	3:3:4:	3:3:1:1:	4:3:4:	C[4,6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-3:C[4]-4:	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[4,6]C[6a])(C[6]C[6]H)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6a]C[6])(C[4]C[4]HH)	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[4,6]C[6a])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6a]C[6])(C[4]C[4]HH){3|C<3>,5|H<1>}	117.0130	0.000	1	117.0130	0.000	1	117.0130	0.000	1	117.0130	0.000	1	117.2512	9.271	33	117.2836	9.026	34
762	466	846	6:SP2_SP2_SP3	C[6]	C[6]	C[4,6]	3:3:4:	3:3:4:1:	4:3:3:	C[4,6]-3:C[6a]-3:C[6]-4:	C[6]-3:N[6]-3:C-4:H-1:	C[4]-4:C[4,6]-3:C[6]-3:	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]N[6]CH)	C[6](C[6]C[4,6]C[6a])(N[6]C[6]S)(CCHH)(H)	C[4,6](C[4]C[6a]C[4]O)(C[4,6]C[4]C[6])(C[6]C[6a]C[6])	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]N[6]CH){1|C<4>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[4,6]C[6a])(N[6]C[6]S)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[4,6](C[4]C[6a]C[4]O)(C[4,6]C[4]C[6])(C[6]C[6a]C[6]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	113.3060	0.000	1	113.3060	0.000	1	113.3060	0.000	1	113.3060	0.000	1	117.2512	9.271	33	117.2836	9.026	34
762	466	846	6:SP2_SP2_SP3	C[6]	C[6]	C[4,6]	3:3:4:	3:4:1:1:	3:3:3:	C[4,6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:H-1:	C[4,6]-3:C[4]-3:C[6]-3:	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[4,6]C[6a])(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6])(C[4]C[6a]C[4])(C[6]C[6a]C[6])	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,5|C<3>}	C[6](C[6]C[4,6]C[6a])(C[6]C[6]HH)(H)2{5|C<3>}	C[4,6](C[4,6]C[4]C[6])(C[4]C[6a]C[4])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,6|C<3>}	115.0570	0.798	6	115.0570	0.637	6	115.0570	0.637	6	115.0570	0.637	6	117.2512	9.271	33	117.2836	9.026	34
762	466	846	6:SP2_SP2_SP3	C[6]	C[6]	C[4,6]	3:4:1:	3:2:1:1:	4:4:3:	C[4,6]-3:C[6]-4:H-1:	C[6]-3:O[6]-2:H-1:H-1:	C[4,6,6]-4:C[4]-4:C[6]-3:	C[6](C[4,6]C[4,6,6]C[4])(C[6]O[6]HH)(H)	C[6](C[6]C[4,6]H)(O[6]C[6,6])(H)2	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4])(C[6]O[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[4,6]H)(O[6]C[6,6])(H)2{1|C<3>,3|C<4>}	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.4420	0.000	1	119.4420	0.000	1	119.4420	0.000	1	119.4420	0.000	1	117.2512	9.271	33	117.2836	9.026	34
762	466	846	6:SP2_SP2_SP3	C[6]	C[6]	C[4,6]	3:4:1:	3:3:1:1:	4:4:3:	C[4,6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[4,6,6]-4:C[4]-4:C[6]-3:	C[6](C[4,6]C[4,6,6]C[4])(C[6]N[6]HH)(H)	C[6](C[6]C[4,6]H)(N[6]C[6,6]S)(H)2	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4])(C[6]N[6]HH)(H){1|S<4>,2|C<4>,3|H<1>}	C[6](C[6]C[4,6]H)(N[6]C[6,6]S)(H)2{1|C<3>,3|C<4>}	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.8760	0.000	1	119.8760	0.000	1	119.8760	0.000	1	119.8760	0.000	1	117.2512	9.271	33	117.2836	9.026	34
762	466	846	6:SP2_SP2_SP3	C[6]	C[6]	C[4,6]	3:4:1:	3:4:1:1:	4:3:3:	C[4,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-3:C[6]-3:	C[6](C[4,6]C[4,6]C[4])(C[6]C[6]HH)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[6]N[4]H)(C[4]N[4]O)(C[6]C[6]H)	C[6](C[4,6]C[4,6]C[4])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[4,6](C[4,6]C[6]N[4]H)(C[4]N[4]O)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	120.1810	0.000	1	120.1810	0.000	1	120.1810	0.000	1	120.1810	0.000	1	117.2512	9.271	33	117.2836	9.026	34
762	466	846	6:SP2_SP2_SP3	C[6]	C[6]	C[4,6]	3:4:1:	3:4:1:1:	4:4:3:	C[4,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[6]-3:	C[6](C[4,6]C[4,5]C[4,6])(C[6]C[6]HH)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,5]C[4]C[5]O[5])(C[4,6]C[4]C[6]C)(C[6]C[6]H)	C[6](C[4,6]C[4,5]C[4,6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[4,6](C[4,5]C[4]C[5]O[5])(C[4,6]C[4]C[6]C)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	120.6500	0.000	1	120.6500	0.000	1	119.3930	1.188	3	119.3728	2.153	5	117.2512	9.271	33	117.2836	9.026	34
762	466	846	6:SP2_SP2_SP3	C[6]	C[6]	C[4,6]	3:4:1:	3:4:1:1:	4:4:3:	C[4,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[6]-3:	C[6](C[4,6]C[4,5]C[4,6])(C[6]C[6]HH)(H)	C[6](C[6]C[4,6]H)(C[6]O[6]HH)(H)2	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]O[6]H)(C[6]C[6]H)	C[6](C[4,6]C[4,5]C[4,6])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]H)(C[6]O[6]HH)(H)2{2|C<4>}	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]O[6]H)(C[6]C[6]H){1|O<2>,3|C<4>,4|H<1>}	118.7645	0.077	2	118.7645	0.006	2	119.3930	1.188	3	119.3728	2.153	5	117.2512	9.271	33	117.2836	9.026	34
762	466	846	6:SP2_SP2_SP3	C[6]	C[6]	C[4,6]	3:4:1:	3:4:1:1:	4:4:3:	C[4,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-3:	C[6](C[4,6]C[4,6]2)(C[6]C[6]HH)(H)	C[6](C[6]C[4,6]H)(C[6]O[6]HH)(H)2	C[4,6](C[4,6]C[4,6]C[6]S)(C[4,6]C[4,6]O[6]H)(C[6]C[6]H)	C[6](C[4,6]C[4,6]2)(C[6]C[6]HH)(H){1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[6](C[6]C[4,6]H)(C[6]O[6]HH)(H)2{2|C<4>}	C[4,6](C[4,6]C[4,6]C[6]S)(C[4,6]C[4,6]O[6]H)(C[6]C[6]H){1|O<2>,3|C<4>,4|H<1>}	117.5770	0.000	1	117.5770	0.000	1	117.5770	0.000	1	119.3728	2.153	5	117.2512	9.271	33	117.2836	9.026	34
762	466	846	6:SP2_SP2_SP3	C[6]	C[6]	C[4,6]	3:4:1:	3:4:1:1:	4:4:3:	C[4,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-3:	C[6](C[4,6]C[4,6]C[4])(C[6]C[6]HH)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CH)(C[6]C[6]H)	C[6](C[4,6]C[4,6]C[4])(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CH)(C[6]C[6]H){1|O<2>,2|C<4>,4|H<1>}	121.1080	0.000	1	121.1080	0.000	1	121.1080	0.000	1	119.3728	2.153	5	117.2512	9.271	33	117.2836	9.026	34
762	466	846	6:SP2_SP2_SP3	C[6]	C[6]	C[4,6]	3:4:1:	3:4:4:4:	4:4:3:	C[4,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[4,6]-4:C[4,6]-4:C[6]-3:	C[6](C[4,6]C[4,6]2)(C[6]C[6]CC)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(CH3)2	C[4,6](C[4,6]C[3,4,6]C[6]O)2(C[6]C[6]H)	C[6](C[4,6]C[4,6]2)(C[6]C[6]CC)(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(CH3)2{2|C<4>,2|H<1>}	C[4,6](C[4,6]C[3,4,6]C[6]O)2(C[6]C[6]H){1|C<3>,2|H<1>,7|C<4>}	123.4125	0.339	2	123.4125	0.115	2	123.4125	0.115	2	123.4125	0.115	2	117.2512	9.271	33	117.2836	9.026	34
762	466	846	6:SP2_SP2_SP3	C[6]	C[6]	C[4,6]	3:4:1:	4:3:1:1:	4:4:3:	C[4,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[6]-3:	C[6](C[4,6]C[4,5]C[4,6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[4,6]H)(H)2	C[4,6](C[4,5]C[4]C[5]O[5])(C[4,6]C[6,6]C[4]C)(C[6]C[6]H)	C[6](C[4,6]C[4,5]C[4,6])(C[6]C[6,6]HH)(H){1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[4,6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[4,6](C[4,5]C[4]C[5]O[5])(C[4,6]C[6,6]C[4]C)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	117.9760	0.000	1	117.9760	0.000	1	117.9760	0.000	1	117.9760	0.000	1	117.2512	9.271	33	117.2836	9.026	34
762	466	846	6:SP2_SP2_SP3	C[6]	C[6]	C[4,6]	3:4:1:	4:3:2:1:	4:3:3:	C[4,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[4,6]-4:C[4]-3:C[6]-3:	C[6](C[4,6]C[4,6]C[4])(C[6]C[5,6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]H)(OH)(H)	C[4,6](C[4,6]C[5,6]C[4]C)(C[4]C[4]O)(C[6]C[6]H)	C[6](C[4,6]C[4,6]C[4])(C[6]C[5,6]HO)(H){1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]H)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[4,6](C[4,6]C[5,6]C[4]C)(C[4]C[4]O)(C[6]C[6]H){1|O<2>,2|C<4>,4|H<1>}	115.7540	0.000	1	115.7540	0.000	1	115.7540	0.000	1	115.7540	0.000	1	117.2512	9.271	33	117.2836	9.026	34
762	466	846	6:SP2_SP2_SP3	C[6]	C[6]	C[4,6]	3:4:3:	3:3:3:1:	4:3:3:	C[4,6]-3:C[6]-4:C[6a]-3:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[4]-4:C[4,6]-3:C[6]-3:	C[6](C[4,6]C[4,6]C[4])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)	C[6](C[6]C[4,6]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[4,6](C[4]C[6a]C[4]O)(C[4,6]C[4]C[6])(C[6]C[6a]C[6])	C[6](C[4,6]C[4,6]C[4])(C[6]C[6a]N[6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[6](C[6]C[4,6]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|H<1>,5|C<3>}	C[4,6](C[4]C[6a]C[4]O)(C[4,6]C[4]C[6])(C[6]C[6a]C[6]){1|N<3>,3|H<1>,6|C<3>}	113.6140	0.000	1	113.6140	0.000	1	113.6140	0.000	1	113.6140	0.000	1	117.2512	9.271	33	117.2836	9.026	34
762	466	846	6:SP2_SP2_SP3	C[6]	C[6]	C[4,6]	3:4:4:	3:3:1:1:	3:4:3:	C[4,6]-3:C[6]-4:Si-4:	C[6]-3:N[6]-3:H-1:H-1:	C[4,6]-3:C[4]-4:C[6]-3:	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]HH)(SiC3)	C[6](C[6]C[4,6]Si)(N[6]C[6]S)(H)2	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]FF)(C[6]C[6]Si)	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]HH)(SiC3){1|C<3>,1|C<4>,1|S<4>,2|F<1>}	C[6](C[6]C[4,6]Si)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]FF)(C[6]C[6]Si){1|C<4>,1|N<3>,4|H<1>}	111.9815	0.162	2	112.0570	0.030	3	112.0570	0.030	3	112.0570	0.030	3	117.2512	9.271	33	117.2836	9.026	34
762	466	846	6:SP2_SP2_SP3	C[6]	C[6]	C[4,6]	3:4:4:	3:3:1:1:	3:4:3:	C[4,6]-3:C[6]-4:Si-4:	C[6]-3:N[6]-3:H-1:H-1:	C[4,6]-3:C[4]-4:C[6]-3:	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]HH)(SiC3)	C[6](C[6]C[4,6]Si)(N[6]C[6]S)(H)2	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]FF)(C[6]C[6]Si)	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]HH)(SiC3){1|C<3>,1|C<4>,1|S<4>,2|F<1>}	C[6](C[6]C[4,6]Si)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]FF)(C[6]C[6]Si){1|N<3>,5|H<1>}	112.2080	0.000	1	112.0570	0.030	3	112.0570	0.030	3	112.0570	0.030	3	117.2512	9.271	33	117.2836	9.026	34
762	466	846	6:SP2_SP2_SP3	C[6]	C[6]	C[4,6]	3:4:4:	3:3:4:1:	4:4:3:	C[4,6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[4,6]-4:C[4]-4:C[6]-3:	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCCH)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4]O)(C[6]C[6]C)	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCCH)(H){2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4]O)(C[6]C[6]C){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	118.5060	0.000	1	118.5060	0.000	1	118.4991	0.156	8	118.4991	0.156	8	117.2512	9.271	33	117.2836	9.026	34
762	466	846	6:SP2_SP2_SP3	C[6]	C[6]	C[4,6]	3:4:4:	3:3:4:1:	4:4:3:	C[4,6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[4,6]-4:C[4]-4:C[6]-3:	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4]H)(C[6]C[6]C)	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H){2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4]H)(C[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	119.0830	0.000	1	119.0830	0.000	1	118.4991	0.156	8	118.4991	0.156	8	117.2512	9.271	33	117.2836	9.026	34
762	466	846	6:SP2_SP2_SP3	C[6]	C[6]	C[4,6]	3:4:4:	3:3:4:1:	4:4:3:	C[4,6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[4,6]-4:C[4]-4:C[6]-3:	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4]O)(C[6]C[6]C)	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H){2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4]O)(C[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	118.0955	0.308	2	118.2953	0.167	3	118.4991	0.156	8	118.4991	0.156	8	117.2512	9.271	33	117.2836	9.026	34
762	466	846	6:SP2_SP2_SP3	C[6]	C[6]	C[4,6]	3:4:4:	3:3:4:1:	4:4:3:	C[4,6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[4,6]-4:C[4]-4:C[6]-3:	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4]O)(C[6]C[6]C)	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H){2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4]O)(C[6]C[6]C){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	118.6950	0.000	1	118.2953	0.167	3	118.4991	0.156	8	118.4991	0.156	8	117.2512	9.271	33	117.2836	9.026	34
762	466	846	6:SP2_SP2_SP3	C[6]	C[6]	C[4,6]	3:4:4:	3:3:4:1:	4:4:3:	C[4,6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[4,6]-4:C[4]-4:C[6]-3:	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CC[6a]HH)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[5a]C[4]O)(C[6]C[6]C)	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[5a]C[4]O)(C[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	118.8350	0.000	1	118.8350	0.000	1	118.4991	0.156	8	118.4991	0.156	8	117.2512	9.271	33	117.2836	9.026	34
762	466	846	6:SP2_SP2_SP3	C[6]	C[6]	C[4,6]	3:4:4:	3:3:4:1:	4:4:3:	C[4,6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[4,6]-4:C[4]-4:C[6]-3:	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CC[6a]HH)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4]O)(C[6]C[6]C)	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4]O)(C[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	118.3415	0.364	2	118.3415	0.133	2	118.4991	0.156	8	118.4991	0.156	8	117.2512	9.271	33	117.2836	9.026	34
762	466	846	6:SP2_SP2_SP3	C[6]	C[6]	C[4,6]	3:4:4:	4:3:1:1:	4:4:3:	C[4,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-3:	C[6](C[4,6]C[4,6]C[4])(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H)2	C[4,6](C[4,6]C[5,6]N[4]C)(C[4]N[4]HH)(C[6]C[6]C)	C[6](C[4,6]C[4,6]C[4])(C[6]C[5,6]HH)(CH3){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[4,6](C[4,6]C[5,6]N[4]C)(C[4]N[4]HH)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	113.9320	0.000	1	113.9320	0.000	1	113.9320	0.000	1	113.9320	0.000	1	117.2512	9.271	33	117.2836	9.026	34
762	466	849	0:SP2_SP3_SP3	C[6]	C[6]	P[6]	4:4:3:	3:3:3:1:	3:2:2:1:	C[6]-4:P[6]-4:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:O[6]-2:O-1:	C[6](C[6]C[6a]C[6]H)(P[6]O[6]2O)(C[6]N[6]C)	C[6](C[6]C[6]P[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	P[6](C[6]C[6]2)(O[6]C[6])2(O)	C[6](C[6]C[6a]C[6]H)(P[6]O[6]2O)(C[6]N[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]P[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	P[6](C[6]C[6]2)(O[6]C[6])2(O){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	117.3323	1.557	3	117.3323	2.424	3	117.3323	2.424	3	117.3323	2.424	3	117.4813	1.705	4	117.4813	1.705	4
762	466	849	0:SP2_SP3_SP3	C[6]	C[6]	P[6]	4:4:3:	4:3:1:1:	3:2:2:1:	C[6]-4:P[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:O[6]-2:O-1:	C[6](C[6]C[6]HH)(P[6]O[6]2O)(C[6]C[6]O)	C[6](C[6]C[5]C[6]C)(C[6]C[6]P[6])(H)2	P[6](C[6]C[6]2)(O[6]C[6])2(O)	C[6](C[6]C[6]HH)(P[6]O[6]2O)(C[6]C[6]O){2|H<1>,5|C<4>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]P[6])(H)2{1|O<1>,2|C<4>,2|H<1>,5|O<2>}	P[6](C[6]C[6]2)(O[6]C[6])2(O){1|O<2>,4|H<1>,5|C<4>}	117.9280	0.000	1	117.9280	0.000	1	117.9280	0.000	1	117.9280	0.000	1	117.4813	1.705	4	117.4813	1.705	4
762	466	854	0:SP2_SP3_SP3	C[6]	C[6]	N[6]	4:4:3:	3:4:1:1:	4:4:3:1:	N[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:In[6]-4:C[6]-3:H-1:	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6]C[6,6a]HH)(In[6]O[6]BrO)(C[6]C[6]2)(H)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,1|O<3>,6|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2{1|In<4>,1|N<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6a]HH)(In[6]O[6]BrO)(C[6]C[6]2)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	111.6000	0.000	1	111.6000	0.000	1	111.6000	0.000	1	111.6000	0.000	1	111.3180	0.159	2	111.3180	0.159	2
762	466	854	0:SP2_SP3_SP3	C[6]	C[6]	N[6]	4:4:3:	3:4:1:1:	5:4:3:1:	N[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	In[6]-5:C[6]-4:C[6]-3:H-1:	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2	N[6](In[6]O[6]Br2O)(C[6]C[6,6a]HH)(C[6]C[6]2)(H)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N){2|Br<1>,1|C<3>,1|C<4>,1|O<2>,1|O<3>,6|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2{1|In<5>,1|N<3>,2|C<4>,3|H<1>}	N[6](In[6]O[6]Br2O)(C[6]C[6,6a]HH)(C[6]C[6]2)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	111.0360	0.000	1	111.0360	0.000	1	111.0360	0.000	1	111.0360	0.000	1	111.3180	0.159	2	111.3180	0.159	2
762	466	854	6:SP2_SP3_SP3	C[6,6]	C[3x6]	N[3x6]	4:4:3:	4:4:3:4:	4:4:3:4:	C[3x6]-4:N[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(CHH)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]C)(CH3)	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(CH3)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(CHH){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]C)(CH3){6|C<4>}	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(CH3){6|C<4>}	112.1570	0.000	1	112.1570	0.000	1	112.1570	0.000	1	112.1570	0.000	1	112.1570	0.000	1	111.4512	13.748	13
762	466	854	6:SP2_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:	3:3:1:1:	4:4:3:1:	C[6,6]-4:N[3x6]-4:H-1:	C[6,6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)	C[6,6](C[6,6]N[3x6]H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H){2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]H)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H){1|N<3>,6|H<1>}	109.3610	0.000	1	109.3610	0.000	1	109.3610	0.000	1	109.3610	0.000	1	109.2596	0.150	5	111.4512	13.748	13
762	466	854	6:SP2_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:	4:3:1:1:	4:3:3:4:	C[6,6]-4:N[3x6]-4:H-1:	N[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)	C[6,6](N[3x6]C[6,6]2C)(C[6,6]N[3x6]H)(H)2	N[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)2(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H){3|C<4>,3|H<1>}	C[6,6](N[3x6]C[6,6]2C)(C[6,6]N[3x6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)2(CH3){1|N<4>,6|H<1>}	109.4600	0.614	2	109.4600	0.377	2	109.4600	0.377	2	109.4600	0.377	2	109.2596	0.150	5	111.4512	13.748	13
762	466	854	6:SP2_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:	4:3:1:1:	4:4:3:1:	C[6,6]-4:N[3x6]-4:H-1:	N[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(H)2	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H){2|C<4>,5|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H){1|N<4>,6|H<1>}	108.9480	0.000	1	108.9480	0.000	1	108.9480	0.000	1	108.9480	0.000	1	109.2596	0.150	5	111.4512	13.748	13
762	466	854	6:SP2_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:	4:3:2:1:	4:3:3:1:	C[6,6]-4:N[3x6]-4:H-1:	C[3x6]-4:C[6,6]-3:C-2:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(CC)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(CC)(H){1|C<3>,1|C<4>,3|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H){1|C<2>,1|C<4>,3|H<1>}	109.0690	0.000	1	109.0690	0.000	1	109.0690	0.000	1	109.0690	0.000	1	109.2596	0.150	5	111.4512	13.748	13
762	466	854	6:SP2_SP3_SP3	C[6]	C[6,6]	N[6]	4:4:1:	4:4:3:1:	3:4:4:1:	C[6,6]-4:N[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(O){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	114.5520	0.069	2	114.5520	0.005	2	114.5520	0.005	2	114.5520	0.005	2	115.2030	1.274	3	111.4512	13.748	13
762	466	854	6:SP2_SP3_SP3	C[6]	C[6,6]	N[6]	4:4:1:	4:4:3:1:	4:3:4:4:	C[6,6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CCHH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CCHH)(CH3){2|C<3>,2|C<4>,3|H<1>}	116.5050	0.000	1	116.5050	0.000	1	116.5050	0.000	1	116.5050	0.000	1	115.2030	1.274	3	111.4512	13.748	13
762	466	854	6:SP2_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:N[6]-4:H-1:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)	C[6](N[6]C[6]HH)(C[6]N[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H){1|C<3>,4|H<1>}	C[6](N[6]C[6]HH)(C[6]N[6]H)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<4>,3|H<1>}	110.5250	0.000	1	110.5585	0.002	2	110.5585	0.002	2	110.5585	0.002	2	111.2003	31.613	4	111.4512	13.748	13
762	466	854	6:SP2_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:N[6]-4:H-1:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)	C[6](N[6]C[6]HH)(C[6]N[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H){1|C<4>,4|H<1>}	C[6](N[6]C[6]HH)(C[6]N[6]H)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<4>,4|H<1>}	110.5920	0.000	1	110.5585	0.002	2	110.5585	0.002	2	110.5585	0.002	2	111.2003	31.613	4	111.4512	13.748	13
762	466	854	6:SP2_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:	4:3:1:1:	4:3:4:1:	C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){2|C<4>,3|H<1>}	105.0160	0.000	1	105.0160	0.000	1	105.0160	0.000	1	111.8420	93.189	2	111.2003	31.613	4	111.4512	13.748	13
762	466	854	6:SP2_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:	4:3:1:1:	4:3:4:1:	C[6]-4:N[6]-4:H-1:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)	C[6](N[6]C[6]CH)(C[6]N[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CH)(C[6]N[6]H)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|N<4>,3|H<1>}	118.6680	0.000	1	118.6680	0.000	1	118.6680	0.000	1	111.8420	93.189	2	111.2003	31.613	4	111.4512	13.748	13
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	3:3:4:	3:4:1:1:	3:3:3:	N[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6,6]-3:	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]CC)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]){1|C<2>,2|C<4>,4|C<3>,4|H<1>}	118.4880	0.000	2	118.4880	0.000	2	118.4880	0.000	2	118.4880	0.000	2	118.4880	0.000	2	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:2:1:1:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:S[6]-2:H-1:H-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]S[6]HH)	C[6](C[6,6]C[6,6]N[6])(S[6]C[6])(H)2	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]S[6]HH){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]N[6])(S[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){1|S<2>,2|C<4>,4|C<3>,6|H<1>}	115.9380	0.000	1	115.9380	0.000	1	115.9380	0.000	1	115.9380	0.000	1	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[5,6]N[5,6]N[5])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[5,6]N[5,6]N[5])(C[6,6]C[6,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	114.5800	0.190	2	114.5800	0.036	2	114.5800	0.036	2	115.3782	1.051	64	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	114.9370	0.448	2	114.9370	0.201	2	114.9377	0.256	6	115.3782	1.051	64	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	115.0950	0.000	1	115.0950	0.000	1	114.9377	0.256	6	115.3782	1.051	64	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	115.2320	0.571	2	115.2320	0.326	2	114.9377	0.256	6	115.3782	1.051	64	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	114.1930	0.000	1	114.1930	0.000	1	114.9377	0.256	6	115.3782	1.051	64	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	115.7850	0.000	1	115.1564	1.273	32	115.3155	1.290	37	115.3782	1.051	64	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	115.1361	1.141	31	115.1564	1.273	32	115.3155	1.290	37	115.3782	1.051	64	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	116.3342	0.495	5	116.3342	0.245	5	115.3155	1.290	37	115.3782	1.051	64	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|S<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	115.2530	0.000	1	115.2530	0.000	1	115.2530	0.000	1	115.3782	1.051	64	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	114.6697	0.152	3	114.6582	0.016	4	114.7258	0.035	5	115.3782	1.051	64	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	114.6240	0.000	1	114.6582	0.016	4	114.7258	0.035	5	115.3782	1.051	64	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	114.9960	0.000	1	114.9960	0.000	1	114.7258	0.035	5	115.3782	1.051	64	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	116.4000	0.000	1	116.1503	0.131	6	116.0541	0.528	11	115.3782	1.051	64	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	116.1004	0.381	5	116.1503	0.131	6	116.0541	0.528	11	115.3782	1.051	64	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,2|H<1>,4|C<3>}	114.9240	0.226	2	114.9240	0.051	2	116.0541	0.528	11	115.3782	1.051	64	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	116.0970	0.000	1	116.0970	0.000	1	116.0541	0.528	11	115.3782	1.051	64	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	116.8740	0.788	2	116.8740	0.620	2	116.0541	0.528	11	115.3782	1.051	64	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:N[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){2|C<3>,3|C<4>,3|H<1>}	116.6340	0.328	2	116.6340	0.108	2	116.6340	0.108	2	115.3782	1.051	64	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:O-2:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]C[6,6]C[6])2(OH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])2(OH){2|C<3>,3|C<4>,4|H<1>}	117.2385	0.204	2	117.0600	0.127	4	117.0600	0.127	4	116.6958	0.758	5	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:O-2:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]C[6,6]C[6])2(OH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])2(OH){2|C<3>,3|C<4>,4|H<1>}	116.8815	0.459	2	117.0600	0.127	4	117.0600	0.127	4	116.6958	0.758	5	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:2:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:Ge[6]-2:	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6])	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Ge<2>,1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]){2|H<1>,3|C<3>,5|C<4>}	115.2390	0.000	1	115.2390	0.000	1	115.2390	0.000	1	116.6958	0.758	5	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:N-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]C[6,6]C[6])2(NHH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])2(NHH){2|C<3>,3|C<4>,4|H<1>}	117.3980	0.361	2	117.3980	0.130	2	116.9550	0.253	6	116.9842	1.173	52	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:N-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])2(NCH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])2(NCH){2|C<3>,3|C<4>,4|H<1>}	116.7335	0.427	4	116.7335	0.182	4	116.9550	0.253	6	116.9842	1.173	52	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[6a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	116.2317	0.346	3	116.2317	0.120	3	116.2317	0.120	3	116.9842	1.173	52	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	117.3340	0.000	1	116.5745	1.154	2	115.9253	0.456	7	116.9842	1.173	52	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|S<4>,3|C<3>,3|C<4>,6|H<1>}	115.8150	0.000	1	116.5745	1.154	2	115.9253	0.456	7	116.9842	1.173	52	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	115.7930	0.000	1	115.5453	0.068	3	115.9253	0.456	7	116.9842	1.173	52	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	115.5690	0.000	1	115.5453	0.068	3	115.9253	0.456	7	116.9842	1.173	52	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,4|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	115.2740	0.000	1	115.5453	0.068	3	115.9253	0.456	7	116.9842	1.173	52	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	116.1260	0.000	1	115.8460	0.157	2	115.9253	0.456	7	116.9842	1.173	52	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	115.5660	0.000	1	115.8460	0.157	2	115.9253	0.456	7	116.9842	1.173	52	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	117.2668	0.208	4	117.0673	0.128	19	116.9983	0.119	27	116.9842	1.173	52	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){1|F<1>,3|C<4>,4|C<3>,5|H<1>}	117.0895	0.101	2	117.0673	0.128	19	116.9983	0.119	27	116.9842	1.173	52	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){1|S<2>,2|C<4>,4|C<3>,6|H<1>}	117.1430	0.000	1	117.0673	0.128	19	116.9983	0.119	27	116.9842	1.173	52	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	116.9908	0.418	12	117.0673	0.128	19	116.9983	0.119	27	116.9842	1.173	52	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	116.7993	0.201	4	116.8342	0.068	8	116.9983	0.119	27	116.9842	1.173	52	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	116.8692	0.339	4	116.8342	0.068	8	116.9983	0.119	27	116.9842	1.173	52	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	117.0680	0.000	1	117.0680	0.000	1	116.7070	0.233	6	116.9842	1.173	52	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,2|O<1>,3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,4|C<3>,5|H<1>}	116.9080	0.000	1	116.9080	0.000	1	116.7070	0.233	6	116.9842	1.173	52	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	116.1490	0.397	2	116.1490	0.158	2	116.7070	0.233	6	116.9842	1.173	52	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,4|C<3>,5|H<1>}	116.9840	0.250	2	116.9840	0.063	2	116.7070	0.233	6	116.9842	1.173	52	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:Ge[6]-3:	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]Cl)	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Ge<3>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]Cl){2|H<1>,4|C<3>,4|C<4>}	120.6980	0.000	1	120.6980	0.000	1	120.6933	0.013	3	116.9842	1.173	52	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:Ge[6]-3:	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]N)	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Ge<3>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]N){2|H<1>,4|C<3>,4|C<4>}	120.5750	0.000	1	120.5750	0.000	1	120.6933	0.013	3	116.9842	1.173	52	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:Ge[6]-3:	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]O)	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Ge<3>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]O){2|H<1>,4|C<3>,4|C<4>}	120.8070	0.000	1	120.8070	0.000	1	120.6933	0.013	3	116.9842	1.173	52	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5,6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CCHH)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5,6]C)(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CCHH){2|C<4>,2|H<1>,4|C<3>}	116.8800	0.000	1	116.8800	0.000	1	116.3767	0.613	3	117.4411	0.420	34	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5,6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CC[6a]HH)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5,6]C)(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CC[6a]HH){2|C<4>,2|H<1>,4|C<3>}	115.4750	0.000	1	115.4750	0.000	1	116.3767	0.613	3	117.4411	0.420	34	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CH3)	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]C)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	116.7750	0.000	1	116.7750	0.000	1	116.3767	0.613	3	117.4411	0.420	34	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]C[6,6]C[6])2(CCHH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])2(CCHH){2|C<3>,3|C<4>,4|H<1>}	117.6617	0.651	4	117.8353	0.227	12	117.6129	0.245	24	117.4411	0.420	34	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]C[6,6]C[6])2(CCHH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])2(CCHH){2|C<3>,3|C<4>,4|H<1>}	117.9221	0.385	8	117.8353	0.227	12	117.6129	0.245	24	117.4411	0.420	34	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]C[6,6]C[6])2(CC[6a]HH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])2(CC[6a]HH){2|C<3>,3|C<4>,4|H<1>}	117.0577	0.137	4	117.0577	0.019	4	117.6129	0.245	24	117.4411	0.420	34	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]C[6,6]C[6])2(CH3)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])2(CH3){2|C<3>,3|C<4>,4|H<1>}	117.6065	0.107	2	117.6065	0.011	2	117.6129	0.245	24	117.4411	0.420	34	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])2(CCHH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])2(CCHH){2|C<3>,3|C<4>,4|H<1>}	117.5403	0.495	6	117.5403	0.245	6	117.6129	0.245	24	117.4411	0.420	34	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:4:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-3:C[3]-4:	C[6,6](N[6]C[5,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[3]C[3]2H)	C[6,6](N[6]C[5,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[3]C[3]2H){2|C<4>,4|C<3>,6|H<1>}	116.4860	0.000	2	116.4860	0.000	2	116.4860	0.000	2	117.4411	0.420	34	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:4:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C[3]-4:	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]C[6,6]C[6])2(C[3]C[3]2H)	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])2(C[3]C[3]2H){2|C<3>,3|C<4>,8|H<1>}	117.2745	0.200	2	117.2745	0.040	2	117.4872	0.137	4	117.4411	0.420	34	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:4:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C[3]-4:	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])2(C[3]C[3]2H)	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])2(C[3]C[3]2H){2|C<3>,3|C<4>,8|H<1>}	117.7000	0.436	2	117.7000	0.190	2	117.4872	0.137	4	117.4411	0.420	34	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	3:3:4:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]N[6]CH){2|C<4>,4|C<3>,4|H<1>}	118.2370	0.000	1	118.2370	0.000	1	118.2370	0.000	1	117.4411	0.420	34	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	4:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6]C[6,6]C[6])(H){2|C<4>,4|C<3>,4|H<1>}	115.5740	0.686	2	115.5740	0.470	2	115.9197	0.594	3	115.9197	0.594	3	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	4:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	116.6110	0.000	1	116.6110	0.000	1	115.9197	0.594	3	115.9197	0.594	3	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[6,6]C[4x6]C[6])(N[6]C[3x6]C[6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[3x6]C[5x6]N[6,6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](C[6,6]C[4x6]C[6])(N[6]C[3x6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[3x6]C[5x6]N[6,6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,3|C<3>,4|H<1>,5|C<4>}	117.8480	1.219	2	117.8480	1.486	2	117.8480	1.486	2	117.6768	0.365	6	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[6,6]C[3x6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](C[6,6]C[3x6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,3|C<3>,4|H<1>,5|C<4>}	117.6100	0.000	1	117.6100	0.000	1	117.5913	0.084	4	117.6768	0.365	6	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|Br<1>,3|C<4>,4|C<3>,5|H<1>}	117.2530	0.000	1	117.6060	0.249	2	117.5913	0.084	4	117.6768	0.365	6	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|C<2>,3|C<4>,4|C<3>,4|H<1>}	117.9590	0.000	1	117.6060	0.249	2	117.5913	0.084	4	117.6768	0.365	6	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	117.5430	0.000	1	117.5430	0.000	1	117.5913	0.084	4	117.6768	0.365	6	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:P-4:H-1:	C[6,6]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HP)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(PC[6a]2O)(H)	N[6](C[6,6]C[6,6]C[6])2(O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HP){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(PC[6a]2O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])2(O){1|C<3>,2|H<1>,2|P<4>,4|C<4>}	115.6720	0.000	1	115.6720	0.000	1	115.6720	0.000	1	115.6720	0.000	1	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:4:3:	3:2:1:1:	3:3:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:S[6]-2:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]S[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(S[6]C[6])(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]S[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]N[6])(S[6]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	114.5630	0.000	1	114.5630	0.000	1	114.5630	0.000	1	114.5630	0.000	1	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:4:3:	3:4:1:1:	3:2:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]O[6]O)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]O[6]O){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,2|H<1>,4|C<4>}	117.1430	0.000	1	117.1430	0.000	1	117.1430	0.000	1	117.1430	0.000	1	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	115.8359	0.343	9	115.8359	0.118	9	115.9667	0.538	22	116.0168	0.525	24	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	114.6665	0.810	2	114.6665	0.656	2	115.9667	0.538	22	116.0168	0.525	24	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H){2|C<4>,2|H<1>,4|C<3>}	116.0100	0.000	1	116.0100	0.000	1	115.9667	0.538	22	116.0168	0.525	24	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	116.4645	0.245	2	116.0599	0.214	8	115.9667	0.538	22	116.0168	0.525	24	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	115.9250	0.448	6	116.0599	0.214	8	115.9667	0.538	22	116.0168	0.525	24	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]N[6]S)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<1>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]N[6]S)(H){1|C<3>,2|C<4>,3|H<1>}	117.7200	0.000	1	117.7200	0.000	1	115.9667	0.538	22	116.0168	0.525	24	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	117.2020	0.000	1	117.2020	0.000	1	115.9667	0.538	22	116.0168	0.525	24	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]O)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]O){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<3>,2|C<4>,3|H<1>}	116.5685	0.327	2	116.5685	0.107	2	116.5685	0.107	2	116.0168	0.525	24	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	115.2590	0.000	1	115.2590	0.000	1	114.0865	2.750	2	116.1252	4.690	5	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]CH)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H){1|C<3>,2|C<4>,4|H<1>}	112.9140	0.000	1	112.9140	0.000	1	114.0865	2.750	2	116.1252	4.690	5	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:4:3:	3:4:1:1:	3:4:1:	N[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6]HH)(H)2	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]H){3|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	116.8850	0.000	2	116.8850	0.000	2	117.4843	1.078	3	116.1252	4.690	5	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:4:3:	3:4:1:1:	3:4:1:	N[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]HH)(H)2	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	118.6830	0.000	1	118.6830	0.000	1	117.4843	1.078	3	116.1252	4.690	5	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:4:3:	3:4:1:1:	3:4:4:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]CH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	118.4095	0.667	2	118.4095	0.445	2	118.1513	0.238	4	117.7726	0.895	5	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:4:3:	3:4:1:1:	3:4:4:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]HH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]HH){1|C<4>,2|C<3>,3|H<1>}	117.8930	0.051	2	117.8930	0.003	2	118.1513	0.238	4	117.7726	0.895	5	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:4:3:	3:4:1:1:	3:4:4:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:S[6]-4:C-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]S[6]C)	C[6](C[6,6]C[6,6]N[6])(C[6]O[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a]OO)(CH3)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]S[6]C){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]O[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>}	N[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a]OO)(CH3){2|C<3>,2|C<4>,2|H<1>}	116.2580	0.000	1	116.2580	0.000	1	116.2580	0.000	1	117.7726	0.895	5	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6])(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6])(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,4|H<1>}	114.6480	0.000	1	114.6480	0.000	1	114.6480	0.000	1	114.6480	0.000	1	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:4:3:	4:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6])(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCO)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]C){1|N<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6])(H)2{1|C<3>,3|H<1>,5|C<4>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCO){3|C<4>,4|H<1>}	115.9890	0.000	1	115.9890	0.000	1	115.2140	1.201	2	115.2140	1.201	2	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:4:3:	4:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6])(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]O)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]C){1|N<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6])(H)2{1|C<3>,3|H<1>,5|C<4>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]O){3|C<4>,4|H<1>}	114.4390	0.000	1	114.4390	0.000	1	115.2140	1.201	2	115.2140	1.201	2	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6]-3:N[6]-3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	119.2360	0.000	1	119.2360	0.000	1	119.2360	0.000	1	119.2360	0.000	1	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	4:3:3:	3:3:4:1:	3:3:4:	C[6]-4:C[6,6]-3:N[6]-3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	119.2233	0.841	4	119.2233	0.707	4	119.2233	0.707	4	119.2233	0.707	4	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	4:4:3:	3:4:1:1:	3:4:1:	C[3x6]-4:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[3x6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]N[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	N[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	120.9900	0.000	1	120.9900	0.000	1	120.9900	0.000	1	120.9900	0.000	1	116.4791	1.903	211	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6]	C[3x6]	N[6]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:N[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[3x6]C[6,6]3)(N[6]C[6,6a]O)(C[6]C[6]H)	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6])(O)	C[6](C[3x6]C[6,6]3)(N[6]C[6,6a]O)(C[6]C[6]H){2|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]N[6]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6])(O){2|H<1>,3|C<3>,3|C<4>}	119.8610	0.000	1	119.8610	0.000	1	119.8610	0.000	1	119.8610	0.000	1	119.8610	0.000	1	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:2:	4:4:3:1:	4:3:1:	N[6]-3:C[6]-4:N[6]-2:	C[6]-4:C[6]-4:C[6]-3:H-1:	B[6,6]-4:C[6]-3:H-1:	C[6](N[6]B[6,6]H)(C[6]C[6]2H)(N[6]C[6,6])	C[6](C[6]C[6]HH)2(C[6]N[6]2)(H)	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6]N[6])(H)	C[6](N[6]B[6,6]H)(C[6]C[6]2H)(N[6]C[6,6]){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[6]HH)2(C[6]N[6]2)(H){1|B<4>,1|C<3>,1|C<4>,5|H<1>}	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6]N[6])(H){2|C<4>,2|H<1>,5|C<3>}	118.7280	2.468	2	118.7280	6.090	2	118.7280	6.090	2	118.7280	6.090	2	117.7225	6.341	13	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:3:	3:2:4:2:	3:3:1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:O[6]-2:C[6]-4:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O[6]O)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(O[6]C[6,6a])(C[6]C[6]HH)(OH)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]O[6]O)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|O<1>,2|H<1>,5|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	117.0060	0.000	1	117.0060	0.000	1	117.0060	0.000	1	117.0060	0.000	1	117.7225	6.341	13	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:O[6]-2:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H){2|H<1>,2|O<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	115.2550	0.000	1	115.2550	0.000	1	115.2550	0.000	1	115.2550	0.000	1	117.7225	6.341	13	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:3:	3:4:2:2:	3:3:1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:O[6]-2:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O[6]O)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6,6])(OH)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]O[6]O)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6,6])(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	118.7250	0.170	2	118.7250	0.029	2	118.7250	0.029	2	118.7250	0.029	2	117.7225	6.341	13	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:3:	3:4:4:2:	3:3:1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:C[6]-4:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]2O)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)2(OH)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]2O)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)2(OH){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.1960	0.000	1	117.1960	0.000	1	117.1960	0.000	1	117.1960	0.000	1	117.7225	6.341	13	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]N[6])(C[6]C[6]HH)(H)	N[6](C[6]C[6]2)(C[6]C[6]C)(O)	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]N[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]C)(O){1|C<3>,2|C<4>,3|H<1>}	116.1040	0.068	3	116.1040	0.005	3	116.1040	0.005	3	116.1040	0.005	3	117.7225	6.341	13	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:3:	4:3:4:1:	4:4:3:	C[6]-4:C[6]-3:N[6]-3:	C[5]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[5]C[5]N[5]H)(C[6]C[6]N[6])(C[6]C[6]HH)(H)	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]2){1|N<3>,4|C<4>,9|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]N[6])(C[6]C[6]HH)(H){1|N<3>,1|S<4>,2|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|O<2>,3|C<4>,6|H<1>}	113.8050	0.000	1	113.8050	0.000	1	113.8050	0.000	1	113.8050	0.000	1	117.7225	6.341	13	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:4:3:	3:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	121.9920	0.000	1	121.9920	0.000	1	121.9920	0.000	1	121.9920	0.000	1	117.7225	6.341	13	116.5829	2.269	227
762	466	856	0:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:4:3:	3:4:3:1:	4:4:3:	C[6]-4:C[6]-4:N[6]-3:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CC[6a]C)(H)	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CC[6a]C)(H){3|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	121.9200	0.000	1	121.9200	0.000	1	121.9200	0.000	1	121.9200	0.000	1	117.7225	6.341	13	116.5829	2.269	227
762	466	856	0:SP2_SP3_SP3	C[6,6]	C[6]	N[6,6]	3:3:4:	3:4:1:1:	4:3:3:	N[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6,6]-3:	C[6,6](N[6,6]C[6,6a]C[3x6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6](N[6,6]C[6,6a]C[3x6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	N[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<3>,6|C<4>,6|H<1>}	115.0975	0.026	2	115.0975	0.001	2	115.0975	0.001	2	115.0975	0.001	2	115.0975	0.001	2	115.9048	1.859	5
762	466	856	0:SP2_SP3_SP3	C[6,6]	C[6]	N[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	115.5065	0.029	2	115.5065	0.001	2	115.5065	0.001	2	115.5065	0.001	2	116.4430	2.632	3	115.9048	1.859	5
762	466	856	0:SP2_SP3_SP3	C[6,6]	C[6]	N[6]	3:4:3:	4:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[6,6a]C[5,6])(C[6]C[5,6]HH)(N[6]C[6]C)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6,6]C[6,6]N[6])(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(COO)	C[6,6](C[6,6]C[6,6a]C[5,6])(C[6]C[5,6]HH)(N[6]C[6]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6,6]C[6,6]N[6])(H)2{2|C<4>,4|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(COO){2|C<3>,2|C<4>,2|H<1>}	118.3160	0.000	1	118.3160	0.000	1	118.3160	0.000	1	118.3160	0.000	1	116.4430	2.632	3	115.9048	1.859	5
762	466	856	6:SP2_SP2_SP3	C[3x6]	C[3x6]	N[3x6]	3:4:3:	3:4:4:4:	5:3:3:	N[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6]-3:C[6,6]-4:C[6,6]-4:C-4:	Nb[3x6]-5:C[3x6]-3:C[6]-3:	C[3x6](N[3x6]Nb[3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H)	C[3x6](C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)2(CH3)	N[3x6](Nb[3x6]N[6,6]2NO)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](N[3x6]Nb[3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H){1|C<3>,1|N<2>,1|O<2>,2|N<3>,6|H<1>}	C[3x6](C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)2(CH3){1|Nb<5>,1|Si<4>,1|H<1>,1|S<4>,2|C<3>}	N[3x6](Nb[3x6]N[6,6]2NO)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|Si<4>,1|C<3>,1|S<4>,2|H<1>,3|C<4>}	114.6020	0.000	1	114.6020	0.000	1	114.6020	0.000	1	114.6020	0.000	1	115.7730	0.597	7	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[3x6]	C[3x6]	N[3x6]	3:4:3:	3:4:4:4:	6:3:3:	N[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6]-3:C[6,6]-4:C[6,6]-4:C-4:	Nb[3x6]-6:C[3x6]-3:C[6]-3:	C[3x6](N[3x6]Nb[3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H)	C[3x6](C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)2(CH3)	N[3x6](Nb[3x6]N[6,6]2N[6]ClN)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](N[3x6]Nb[3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|N<2>,3|N<3>,6|H<1>}	C[3x6](C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)2(CH3){1|Nb<6>,2|Si<4>,1|H<1>,2|C<3>}	N[3x6](Nb[3x6]N[6,6]2N[6]ClN)(C[3x6]C[3x6]C[6])(C[6]C[6]H){2|Si<4>,2|H<1>,3|C<3>,3|C<4>}	115.7670	0.000	1	115.7670	0.000	1	115.7670	0.000	1	115.7670	0.000	1	115.7730	0.597	7	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[3x6]	C[3x6]	N[3x6]	3:4:3:	4:3:4:4:	7:3:3:	N[3x6]-3:C[3x6]-4:C[6]-3:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C-4:	Nb[3,3,3x6]-7:C[3x6]-3:C[6]-3:	C[3x6](N[3x6]Nb[3,3,3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H)	C[3x6](C[6,6]N[3,6,6]HH)(C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)(CH3)	N[3x6](Nb[3,3,3x6]N[3,6,6]C[3,3]N[6,6]N[3]ClN)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](N[3x6]Nb[3,3,3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,3|N<3>,6|H<1>}	C[3x6](C[6,6]N[3,6,6]HH)(C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)(CH3){1|Nb<7>,1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[3x6](Nb[3,3,3x6]N[3,6,6]C[3,3]N[6,6]N[3]ClN)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|Si<4>,1|C<3>,1|O<2>,2|H<1>,4|C<4>}	115.9950	0.802	4	115.9950	0.643	4	115.9950	0.643	4	115.9950	0.643	4	115.7730	0.597	7	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[3x6]	C[3x6]	N[3x6]	4:3:3:	3:3:4:1:	3:3:3:	C[3x6]-4:N[3x6]-3:C[6]-3:	Ge[4,6,6]-3:C[3x6]-3:P[6,6]-4:H-1:	Ge[3x6]-3:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]Ge[4,6,6]P[6,6]H)(N[3x6]Ge[3x6]C[6])(C[6]C[6]H)	C[3x6](Ge[4,6,6]C[4,6,6]N[4])(C[3x6]N[3x6]C[6])(P[6,6]N[6,6]CC)(H)	N[3x6](Ge[3x6]C[4,6,6]N[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]C)	C[3x6](C[3x6]Ge[4,6,6]P[6,6]H)(N[3x6]Ge[3x6]C[6])(C[6]C[6]H){1|H<1>,2|C<3>,2|N<3>,3|C<4>}	C[3x6](Ge[4,6,6]C[4,6,6]N[4])(C[3x6]N[3x6]C[6])(P[6,6]N[6,6]CC)(H){1|Ge<3>,2|Si<4>,1|H<1>,1|P<4>,3|C<3>}	N[3x6](Ge[3x6]C[4,6,6]N[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]C){1|Ge<3>,1|Si<4>,2|C<3>,2|P<4>,3|H<1>}	116.0620	0.000	1	116.0620	0.000	1	116.0620	0.000	1	116.0620	0.000	1	115.7730	0.597	7	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[3x6]	4:3:1:	4:4:3:4:	4:4:3:	C[3x6]-4:N[3x6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(O)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]O)(CH3)	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(O){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]O)(CH3){2|H<1>,3|C<4>}	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O){2|H<1>,4|C<4>}	114.9830	0.000	1	114.9830	0.000	1	114.9830	0.000	1	114.9830	0.000	1	114.9830	0.000	1	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	3:4:1:	4:3:3:1:	4:3:1:	N[6,6]-3:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](N[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(O)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(H)	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)	C[6,6](N[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(H){1|C<2>,2|C<4>,2|H<1>}	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	111.1440	0.000	1	111.1440	0.000	1	111.1440	0.000	1	111.1440	0.000	1	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	3:4:1:	4:4:3:4:	4:3:3:	N[6,6]-3:C[3x6]-4:Se-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(Se)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]Se)(CH3)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]Se)(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(Se){2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]Se)(CH3){1|C<3>,1|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]Se)(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	111.9010	0.000	1	111.9010	0.000	1	111.9010	0.000	1	111.9010	0.000	1	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	3:4:3:	3:3:3:1:	3:3:3:	N[6,6]-3:C[3x6]-4:C-3:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	Ge[3x6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]N[6,6]C)2(H)	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2)	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH){1|C<4>,1|N<3>,4|C<3>}	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]N[6,6]C)2(H){1|Ge<3>,1|H<1>,4|C<3>}	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	113.8200	0.000	1	113.8200	0.000	1	114.1335	0.197	2	114.1335	0.197	2	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	3:4:3:	3:3:3:1:	3:3:3:	N[6,6]-3:C[3x6]-4:C-3:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	Ge[3x6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH)	C[3x6](C[6,6]C[6,6]H)(C[6,6]N[6,6]C)2(H)	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2)	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[3x6](C[6,6]C[6,6]H)(C[6,6]N[6,6]C)2(H){1|Ge<3>,1|H<1>,2|C<3>}	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	114.4470	0.000	1	114.4470	0.000	1	114.1335	0.197	2	114.1335	0.197	2	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	3:4:4:	3:3:3:1:	3:3:3:	N[6,6]-3:C[3x6]-4:C-4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	Ge[3x6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]N[6,6]C)2(H)	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2)	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3){1|N<3>,5|C<3>}	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]N[6,6]C)2(H){1|Ge<3>,1|H<1>,4|C<3>}	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	118.0360	0.000	1	118.0360	0.000	1	117.4365	0.719	2	117.4365	0.719	2	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	3:4:4:	3:3:3:1:	3:3:3:	N[6,6]-3:C[3x6]-4:C-4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	Ge[3x6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3)	C[3x6](C[6,6]C[6,6]H)(C[6,6]N[6,6]C)2(H)	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2)	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3){1|H<1>,1|N<3>,4|C<3>}	C[3x6](C[6,6]C[6,6]H)(C[6,6]N[6,6]C)2(H){1|Ge<3>,1|H<1>,2|C<3>}	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	116.8370	0.000	1	116.8370	0.000	1	117.4365	0.719	2	117.4365	0.719	2	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	3:4:4:	4:4:3:4:	4:3:3:	N[6,6]-3:C[3x6]-4:B-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BBr3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]B)(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BBr3){2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3){1|C<3>,1|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]B)(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	111.5505	0.194	2	111.5505	0.038	2	112.1110	0.523	8	112.1110	0.523	8	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	3:4:4:	4:4:3:4:	4:3:3:	N[6,6]-3:C[3x6]-4:B-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BCl3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]B)(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BCl3){2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3){1|C<3>,1|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]B)(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	111.4910	0.212	2	111.4910	0.045	2	112.1110	0.523	8	112.1110	0.523	8	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	3:4:4:	4:4:3:4:	4:3:3:	N[6,6]-3:C[3x6]-4:B-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BF3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]B)(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BF3){2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3){1|C<3>,1|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]B)(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	112.9363	0.251	3	112.9363	0.063	3	112.1110	0.523	8	112.1110	0.523	8	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	3:4:4:	4:4:3:4:	4:3:3:	N[6,6]-3:C[3x6]-4:B-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BH3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]B)(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BH3){2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3){1|C<3>,1|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]B)(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	111.9960	0.000	1	111.9960	0.000	1	112.1110	0.523	8	112.1110	0.523	8	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	4:3:1:	2:3:3:4:	4:3:1:	C[3x6]-4:N[6,6]-3:O-1:	S[6,6]-2:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]H)(O)	C[3x6](S[6,6]C[5,6,6])(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(CH3)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]H)(O){1|C<3>,1|H<1>,2|C<4>}	C[3x6](S[6,6]C[5,6,6])(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	111.4760	0.000	1	111.4760	0.000	1	111.4760	0.000	1	111.4760	0.000	1	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	4:3:1:	3:3:2:4:	4:3:1:	C[3x6]-4:N[6,6]-3:O-1:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]H)(O)	C[3x6](C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CCCH)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]H)(O){1|C<3>,1|S<2>,2|C<4>}	C[3x6](C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CCCH){1|C<4>,1|H<1>,1|O<1>}	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	112.8050	0.000	1	112.8050	0.000	1	112.8050	0.000	1	112.8050	0.000	1	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	4:3:1:	3:3:2:4:	4:3:4:	C[3x6]-4:N[6,6]-3:O-1:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]C)(O)	C[3x6](C[6,6]N[6,6]O)(N[6,6]C[6,6]H)(S[6,6]S[6,6])(CC[5a]HO)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(CH3)	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[3x6](C[6,6]N[6,6]O)(N[6,6]C[6,6]H)(S[6,6]S[6,6])(CC[5a]HO){1|O<1>,2|C<4>}	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	113.9040	0.000	1	113.9040	0.000	1	113.9040	0.000	1	113.9040	0.000	1	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	4:3:1:	3:3:3:3:	4:3:4:	C[3x6]-4:N[6,6]-3:O-1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2)	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O){1|N<3>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	111.6095	0.105	2	111.6095	0.011	2	111.6095	0.011	2	111.6095	0.011	2	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	4:3:1:	4:3:2:3:	4:3:4:	C[3x6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6,6]-3:N[6,6]-2:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(N[6,6]C[3x6]C)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6])(C[6a]C[6a]2)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(N[6,6]C[3x6]C)(O){1|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6])(C[6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	109.8890	0.000	1	109.8890	0.000	1	109.8890	0.000	1	109.8890	0.000	1	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(H)	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(H){1|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H){1|C<3>,1|C<4>,4|H<1>}	110.8120	0.187	2	110.8120	0.035	2	110.7583	0.017	4	110.5380	0.185	8	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(H)	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(H){1|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H){1|C<4>,3|C<3>,4|H<1>}	110.7045	0.069	2	110.7045	0.005	2	110.7583	0.017	4	110.5380	0.185	8	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[4x6]H)(O)	C[3x6](C[6,6]C[3x6]C[6a]H)(C[6,6]N[6,6]O)2(H)	N[6,6](C[4x6]C[6,6a]C[3x6]N[6,6])(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[4x6]H)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[3x6](C[6,6]C[3x6]C[6a]H)(C[6,6]N[6,6]O)2(H){2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[4x6]C[6,6a]C[3x6]N[6,6])(C[6,6]C[3x6]O)(H){2|C<4>,3|C<3>,3|H<1>}	110.3178	0.534	4	110.3178	0.285	4	110.3178	0.285	4	110.5380	0.185	8	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	4:3:1:	4:3:3:1:	4:3:4:	C[3x6]-4:N[6,6]-3:O-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(N[6,6]C[3x6]C)(O)	C[3x6](C[5,6,6]C[5,6a]S[6,6]C[5])(C[6,6]N[6,6]O)(N[6,6]C[6,6]H)(H)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(CH3)	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(N[6,6]C[3x6]C)(O){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[3x6](C[5,6,6]C[5,6a]S[6,6]C[5])(C[6,6]N[6,6]O)(N[6,6]C[6,6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	111.2390	0.000	1	111.2390	0.000	1	111.2390	0.000	1	110.0190	0.881	4	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	4:3:1:	4:3:3:1:	4:3:4:	C[3x6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(O){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	109.0840	0.000	1	109.0840	0.000	1	109.6123	0.329	3	110.0190	0.881	4	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	4:3:1:	4:3:3:1:	4:3:4:	C[3x6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	110.2230	0.000	1	110.2230	0.000	1	109.6123	0.329	3	110.0190	0.881	4	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	4:3:1:	4:3:3:1:	4:3:4:	C[3x6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(O)	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H){1|O<1>,2|H<1>,4|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	109.5300	0.000	1	109.5300	0.000	1	109.6123	0.329	3	110.0190	0.881	4	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	4:3:1:	4:3:3:2:	4:3:4:	C[3x6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]N[6,6]O)(N[6,6]C[3x6]C)(O)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(OH)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]N[6,6]O)(N[6,6]C[3x6]C)(O){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(OH){1|O<1>,2|C<4>,2|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	109.7810	0.000	1	109.7810	0.000	1	109.7810	0.000	1	109.7810	0.000	1	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	4:3:1:	4:3:3:3:	4:3:1:	C[3x6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2C[6a])(N[6,6]C[3x6]H)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(C[6a]C[6a]2)	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2C[6a])(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(C[6a]C[6a]2){1|C<4>,2|C<3>,6|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H){1|C<4>,2|C<3>,3|H<1>}	111.1333	0.303	4	111.1333	0.092	4	111.1333	0.092	4	111.1333	0.092	4	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	4:3:1:	4:3:3:4:	4:3:1:	C[3x6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CCHH)	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CCHH){1|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H){1|C<3>,2|C<4>,3|H<1>}	111.4830	0.249	4	111.4830	0.062	4	111.4502	0.224	8	111.4502	0.224	8	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	4:3:1:	4:3:3:4:	4:3:1:	C[3x6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CC[6a]HH)	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H){1|C<3>,2|C<4>,3|H<1>}	111.1995	0.972	2	111.1995	0.945	2	111.4502	0.224	8	111.4502	0.224	8	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	4:3:1:	4:3:3:4:	4:3:1:	C[3x6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CC[6a]HH)	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H){2|C<4>,3|C<3>,3|H<1>}	111.6355	0.489	2	111.6355	0.239	2	111.4502	0.224	8	111.4502	0.224	8	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	4:3:1:	4:4:3:1:	4:3:3:	C[3x6]-4:N[6,6]-3:O-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C[6a])(O)	C[3x6](C[5,6,6]N[5,6,6]C[6a]O[5])(C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(H)	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C[6a])(O){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]N[5,6,6]C[6a]O[5])(C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(H){1|C<4>,2|H<1>,5|C<3>}	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	110.8520	0.000	1	110.8520	0.000	1	110.4363	0.139	3	110.4363	0.139	3	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	4:3:1:	4:4:3:1:	4:3:3:	C[3x6]-4:N[6,6]-3:O-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C[6a])(O)	C[3x6](C[5,6,6]N[5,6,6]O[5]C)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(H)	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C[6a])(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]N[5,6,6]O[5]C)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(H){1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	110.2285	0.134	2	110.2285	0.018	2	110.4363	0.139	3	110.4363	0.139	3	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	4:3:1:	4:4:3:1:	4:3:4:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(N[6,6]C[3x6]C)(O)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(H)	N[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCHH)	C[6,6](C[3x6]C[3x6]C[6,6]H)(N[6,6]C[3x6]C)(O){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(H){2|H<1>,3|C<3>,3|C<4>}	N[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCHH){1|H<1>,2|C<4>,3|C<3>}	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	4:3:2:	4:4:3:1:	4:3:1:	C[3x6]-4:N[6,6]-3:N-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(NC[5])	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]N)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]N)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(NC[5]){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]N)(H){1|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]N)(H){2|C<4>,5|H<1>}	113.6240	0.000	1	113.6240	0.000	1	113.6240	0.000	1	113.6240	0.000	1	111.6246	2.760	50	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6]	4:3:2:	4:4:3:2:	3:3:3:	C[3x6]-4:N[6]-3:N[6]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6,6](C[3x6]C[6,6]2C)(N[6]C[6a]C[6])(N[6]C[6])	C[3x6](C[6,6]C[6]2H)2(C[6,6]N[6]2)(CN)	N[6](C[6,6]C[3x6]N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6](C[3x6]C[6,6]2C)(N[6]C[6a]C[6])(N[6]C[6]){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[3x6](C[6,6]C[6]2H)2(C[6,6]N[6]2)(CN){1|C<2>,1|C<4>,4|C<3>,5|H<1>}	N[6](C[6,6]C[3x6]N[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<2>,2|C<4>,3|H<1>,4|C<3>}	117.5860	0.000	1	117.5860	0.000	1	117.5860	0.000	1	117.5860	0.000	1	119.3555	6.262	2	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[3x6]	N[6]	4:4:3:	3:4:4:1:	3:4:1:	C[3x6]-4:C[6]-4:N[6]-3:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]H)	C[3x6](C[6,6]C[6]N[6])(C[6,6]C[6]2H)2(H)	N[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[6]N[6])(C[6,6]C[6]2H)2(H){2|C<3>,3|C<4>,8|H<1>}	N[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	121.1250	0.000	1	121.1250	0.000	1	121.1250	0.000	1	121.1250	0.000	1	119.3555	6.262	2	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[4x6]	N[6,6]	4:3:1:	4:3:3:4:	4:3:1:	C[4x6]-4:N[6,6]-3:O-1:	C[6,6]-4:N[3x6]-3:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]C[6,6]N[3x6]C[6])(N[6,6]C[5,3x6]H)(O)	C[4x6](C[6,6]C[5,6,6]HH)(N[3x6]C[6,6]C[6])(C[6,6]N[6,6]O)(C[6]C[6]HH)	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[4x6]O)(H)	C[6,6](C[4x6]C[6,6]N[3x6]C[6])(N[6,6]C[5,3x6]H)(O){4|H<1>,5|C<4>}	C[4x6](C[6,6]C[5,6,6]HH)(N[3x6]C[6,6]C[6])(C[6,6]N[6,6]O)(C[6]C[6]HH){3|C<4>,8|H<1>}	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[4x6]O)(H){1|N<3>,4|C<4>,5|H<1>}	111.2620	0.000	2	111.2620	0.000	2	111.2620	0.000	2	111.2620	0.000	2	110.7723	0.719	3	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[4x6]	N[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[4x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]C[3x6]2Cl)(N[6,6]C[3x6]H)(O)	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]N[6,6]O)(Cl)	N[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[4x6]O)(H)	C[6,6](C[4x6]C[3x6]2Cl)(N[6,6]C[3x6]H)(O){1|Cl<1>,2|H<1>,4|C<4>}	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]N[6,6]O)(Cl){1|C<4>,1|O<2>,9|H<1>}	N[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[4x6]O)(H){1|Cl<1>,2|C<4>,4|H<1>}	109.7930	0.000	1	109.7930	0.000	1	109.7930	0.000	1	109.7930	0.000	1	110.7723	0.719	3	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[3x6]	4:3:3:	4:3:2:1:	4:4:3:	C[6,6]-4:N[3x6]-3:C-3:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[5a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(OH)(H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(OH)(H){2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<2>,5|H<1>}	114.3735	0.279	2	114.3735	0.078	2	114.2527	0.083	3	114.2527	0.083	3	114.2527	0.083	3	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[3x6]	4:3:3:	4:3:2:1:	4:4:3:	C[6,6]-4:N[3x6]-3:C-3:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[6a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(OH)(H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[6a]H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(OH)(H){2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<2>,5|H<1>}	114.0110	0.000	1	114.0110	0.000	1	114.2527	0.083	3	114.2527	0.083	3	114.2527	0.083	3	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[6,6]	4:3:2:	4:3:3:2:	4:3:3:	C[6,6]-4:N[6,6]-3:N[6]-2:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[3x6]C[6,6]C)(N[6,6]C[6,6]C[6])(N[6]C[6,6])	C[6,6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6,6]N[6,6]N[6])(CN)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]N[6])(C[6]C[3x6]O)	C[6,6](C[6,6]C[3x6]C[6,6]C)(N[6,6]C[6,6]C[6])(N[6]C[6,6]){1|C<3>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6,6]N[6,6]N[6])(CN){1|C<2>,2|C<3>,4|H<1>,5|C<4>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]N[6])(C[6]C[3x6]O){2|C<2>,2|C<3>,2|H<1>,4|C<4>}	113.6475	0.206	2	113.6475	0.042	2	113.6475	0.042	2	113.6475	0.042	2	118.5077	11.872	7	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[6,6]	4:3:3:	3:4:4:1:	3:4:3:	C[6,6]-4:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,7|H<1>}	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	119.6785	1.071	2	119.6785	1.148	2	119.7450	0.587	3	119.7450	0.587	3	118.5077	11.872	7	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[6,6]	4:3:3:	3:4:4:1:	3:4:3:	C[6,6]-4:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]S)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|S<1>,7|H<1>}	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]S){1|C<3>,3|C<4>,4|H<1>}	119.8780	0.000	1	119.8780	0.000	1	119.7450	0.587	3	119.7450	0.587	3	118.5077	11.872	7	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[6,6]	4:3:3:	4:3:3:4:	3:3:3:	C[6,6]-4:N[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:N[6]-3:C-4:	Ge[5,6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H)	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3)	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H){1|N<3>,1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3){1|Ge<3>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	121.2580	0.000	1	121.5120	0.129	2	121.5120	0.129	2	121.5120	0.129	2	118.5077	11.872	7	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[6,6]	4:3:3:	4:3:3:4:	3:3:3:	C[6,6]-4:N[6,6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:N[6]-3:C-4:	Ge[5,6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H)	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3)	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3){1|Ge<3>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	121.7660	0.000	1	121.5120	0.129	2	121.5120	0.129	2	121.5120	0.129	2	118.5077	11.872	7	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[6]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6]-3:C[6,6]-4:N[6]-3:	C[6,6]-3:C[6]-4:S[6]-2:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]S[6]H)(N[6]C[6,6a]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(S[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]S[6]H)(N[6]C[6,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(S[6]C[6,6a])(H){1|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	115.3670	0.000	1	115.3670	0.000	1	115.3670	0.000	1	115.3670	0.000	1	116.9725	4.558	13	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[6]	4:2:3:	3:3:2:4:	3:4:4:	C[6,6]-4:N[6]-2:N[6]-3:	C[6,6]-3:C[6a]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6a]C[6]O[6])(N[6]C[6,6a])(N[6]C[6]C)	C[6,6](C[6,6]N[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[6,6]C[6a]C[6]O[6])(N[6]C[6,6a])(N[6]C[6]C){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]N[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH){2|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.1950	0.000	1	117.1950	0.000	1	117.1950	0.000	1	117.1950	0.000	1	116.9725	4.558	13	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[6]	4:2:3:	3:3:3:2:	3:3:4:	C[6,6]-4:N[6]-2:N[6]-3:	N[6]-3:C[6,6]-3:C[6]-3:O-2:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]N[6]O)(N[6]C[6,6a])(N[6]C[6]C)	C[6,6](N[6]C[6,6a]C)(C[6,6]N[6]2)(C[6]N[6]O)(OC)	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3)	C[6,6](C[6,6]C[6]N[6]O)(N[6]C[6,6a])(N[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[6,6](N[6]C[6,6a]C)(C[6,6]N[6]2)(C[6]N[6]O)(OC){2|C<4>,3|C<3>}	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	115.4840	0.000	1	115.4840	0.000	1	115.4840	0.000	1	115.4840	0.000	1	116.9725	4.558	13	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[6]	4:2:3:	4:3:3:4:	3:3:4:	C[6,6]-4:N[6]-2:N[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2C)(N[6]C[6,6a])(N[6]C[6]C)	C[6,6](C[6]C[6,6a]CH)(C[6,6]N[6]2)(C[6]N[6]O)(CC[6a]HH)	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(N[6]C[6,6a])(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6](C[6]C[6,6a]CH)(C[6,6]N[6]2)(C[6]N[6]O)(CC[6a]HH){2|C<4>,3|C<3>}	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3){2|C<3>,3|C<4>}	117.7480	0.000	1	117.7480	0.000	1	117.7480	0.000	1	117.7480	0.000	1	116.9725	4.558	13	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[6]	4:3:2:	4:3:2:1:	3:3:4:	C[6,6]-4:N[6]-3:N[6]-2:	C[6]-4:C[6,6]-3:S[6]-2:H-1:	C[6,6a]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]C)(N[6]C[6,6a])	C[6,6](C[6]C[6,6a]HH)(C[6,6]N[6]2)(S[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CH3)	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]C)(N[6]C[6,6a]){2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]N[6]2)(S[6]C[6,6a])(H){1|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CH3){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	118.2200	0.000	1	118.2200	0.000	1	118.2200	0.000	1	118.2200	0.000	1	116.9725	4.558	13	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[6]	4:3:3:	3:3:2:1:	3:3:1:	C[6,6]-4:N[6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:S[6]-2:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5a,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]N[6])(S[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5a,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|N<3>,5|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]N[6])(S[6]C[6,6a])(H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	113.2220	0.000	1	113.2220	0.000	1	113.2220	0.000	1	113.2220	0.000	1	116.9725	4.558	13	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[6]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(N[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)2(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(N[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|H<1>,4|C<4>}	114.7110	0.000	1	114.7110	0.000	1	114.7110	0.000	1	114.7110	0.000	1	116.9725	4.558	13	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[6]	4:3:3:	3:4:4:4:	3:4:1:	C[6,6]-4:N[6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(N[6]C[6]H)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2(CH3)	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6]2C)(N[6]C[6]H)2{4|H<1>,6|C<4>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2(CH3){2|C<4>,6|H<1>}	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H){3|H<1>,4|C<4>}	120.4930	1.085	2	120.4930	1.177	2	120.4930	1.177	2	120.4930	1.177	2	116.9725	4.558	13	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[6]	4:3:3:	4:3:2:1:	3:3:1:	C[6,6]-4:N[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:S[6]-2:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(S[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|C<4>,5|C<3>}	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(S[6]C[6,6a])(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	116.4775	0.528	2	116.4775	0.279	2	116.4775	0.279	2	117.0617	1.163	3	116.9725	4.558	13	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[6]	4:3:3:	4:3:2:1:	3:3:1:	C[6,6]-4:N[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:S[6]-2:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(S[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(S[6]C[6,6a])(H){1|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	118.2300	0.000	1	118.2300	0.000	1	118.2300	0.000	1	117.0617	1.163	3	116.9725	4.558	13	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[6]	4:3:3:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6]-3:N[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6a]HH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)(H){1|P<4>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6a]HH){1|P<4>,3|C<4>,3|H<1>}	116.5240	0.000	1	116.5240	0.000	1	116.5240	0.000	1	116.5240	0.000	1	116.9725	4.558	13	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	3:2:4:	3:4:1:1:	3:4:3:	N[6,6]-3:N[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](N[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]N)	C[6,6](N[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]N){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	115.8500	0.000	1	115.8500	0.000	1	115.8500	0.000	1	115.8500	0.000	1	118.5398	4.016	29	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	3:3:4:	3:4:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	122.5730	0.000	1	122.5730	0.000	1	122.5730	0.000	1	122.5730	0.000	1	118.5398	4.016	29	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	3:3:4:	3:4:1:1:	3:4:4:	N[6]-3:N[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	122.0150	0.363	2	122.0150	0.132	2	122.0150	0.132	2	122.0150	0.132	2	118.5398	4.016	29	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6]-3:N[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	115.9960	0.000	1	115.9960	0.000	1	115.9960	0.000	1	115.9960	0.000	1	118.5398	4.016	29	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	3:4:2:	3:4:3:3:	3:4:4:	N[6,6]-3:C[6]-4:N[6]-2:	C[6,6]-3:C[6]-4:N-3:N-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]NN)(N[6]C[6])	C[6](C[6,6]N[6,6]N[6])(C[6]N[6]HH)(NOO)2	N[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]NN)(N[6]C[6]){2|N<3>,8|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]N[6]HH)(NOO)2{1|N<3>,3|C<4>}	N[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)2{2|C<4>,4|N<3>}	114.0610	0.000	1	114.0610	0.000	1	114.0610	0.000	1	114.0610	0.000	1	118.5398	4.016	29	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	3:4:3:	3:2:4:1:	3:3:3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]C[6,6]C[6])(C[6]O[6]CH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(O[6]C[6,6])(CCHH)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]C[6,6]C[6])(C[6]O[6]CH)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(O[6]C[6,6])(CCHH)(H){1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	116.7830	0.000	1	116.7830	0.000	1	116.7830	0.000	1	116.7830	0.000	1	118.5398	4.016	29	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	3:4:3:	3:3:1:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]Ru)(H)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<8>,1|C<3>,1|O<2>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]Ru)(H)2{1|B<4>,1|H<1>,2|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,4|H<1>}	116.6480	0.000	1	116.6480	0.000	1	116.6480	0.000	1	116.6480	0.000	1	118.5398	4.016	29	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	3:4:3:	3:3:1:1:	4:3:3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:H-1:H-1:	Ga[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])2(H)2	N[6,6](Ga[6]N[6,6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])2(H)2{1|Ga<4>,2|H<1>,4|C<3>}	N[6,6](Ga[6]N[6,6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,4|H<1>}	117.3805	0.111	2	117.3805	0.012	2	117.3805	0.012	2	117.3805	0.012	2	118.5398	4.016	29	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	3:4:3:	3:3:1:1:	5:3:3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:H-1:H-1:	Ga[6]-5:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])2(H)2	N[6,6](Ga[6]N[6,6]N[6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){2|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]N[6,6]C[6])2(H)2{1|Ga<5>,2|H<1>,4|C<3>}	N[6,6](Ga[6]N[6,6]N[6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H){4|H<1>,5|C<3>}	118.4585	0.173	2	118.4585	0.030	2	118.4585	0.030	2	118.4585	0.030	2	118.5398	4.016	29	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	3:4:3:	3:3:1:1:	6:3:3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:H-1:H-1:	In[6]-6:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]In[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])2(H)2	N[6,6](In[6]N[6,6]O[5]Cl3)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]In[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){3|Cl<1>,1|N<3>,1|O<3>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])2(H)2{1|In<6>,2|H<1>,4|C<3>}	N[6,6](In[6]N[6,6]O[5]Cl3)(C[6,6]C[6]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	117.9365	0.052	2	117.9365	0.003	2	117.9365	0.003	2	117.9365	0.003	2	118.5398	4.016	29	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	3:4:3:	3:4:1:1:	3:3:4:	N[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	119.5150	0.000	1	119.5150	0.000	1	119.5150	0.000	1	119.5150	0.000	1	118.5398	4.016	29	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	3:4:3:	3:4:1:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]2O[6])(H)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]2O[6])(H)2{1|B<4>,1|H<1>,6|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	119.0190	0.000	1	119.0190	0.000	1	118.6998	0.825	6	118.6998	0.825	6	118.5398	4.016	29	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	3:4:3:	3:4:1:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]C)(H)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]C)(H)2{1|B<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	117.1090	0.000	1	117.1090	0.000	1	118.6998	0.825	6	118.6998	0.825	6	118.5398	4.016	29	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	3:4:3:	3:4:1:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]H)(H)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]H)(H)2{1|B<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	118.7393	0.279	3	118.7393	0.078	3	118.6998	0.825	6	118.6998	0.825	6	118.5398	4.016	29	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	3:4:3:	3:4:1:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]CH)(H)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]CH)(H)2{1|B<4>,1|H<1>,2|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	119.8530	0.000	1	119.8530	0.000	1	118.6998	0.825	6	118.6998	0.825	6	118.5398	4.016	29	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	3:4:3:	3:4:1:1:	4:3:3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]H)(H)2	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]H)(H)2{1|B<4>,1|H<1>,4|C<3>}	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|H<1>,5|C<3>}	119.5780	0.000	1	119.5780	0.000	1	119.2670	0.339	3	119.2670	0.339	3	118.5398	4.016	29	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	3:4:3:	3:4:1:1:	4:3:3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]HH)(H)2	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]HH)(H)2{1|B<4>,1|H<1>,2|C<3>}	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|H<1>,5|C<3>}	119.1115	0.730	2	119.1115	0.534	2	119.2670	0.339	3	119.2670	0.339	3	118.5398	4.016	29	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	3:4:3:	3:4:1:1:	4:3:4:	N[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]H){3|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	120.8860	0.000	2	120.8860	0.000	2	120.8860	0.000	2	120.8860	0.000	2	118.5398	4.016	29	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	3:4:3:	4:3:1:1:	3:3:3:	N[6,6]-3:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	O[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]O[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]H)	C[6](C[5,6]C[6,6]C[5]2)(C[6,6]N[6,6]C[6])(H)2	N[6,6](O[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]O[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[6,6]C[5]2)(C[6,6]N[6,6]C[6])(H)2{1|N<3>,1|O<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[6,6](O[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,3|C<4>,7|H<1>}	119.7660	0.000	1	119.7660	0.000	1	119.7660	0.000	1	119.7660	0.000	1	118.5398	4.016	29	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	4:3:3:	3:3:1:1:	4:3:3:	C[6]-4:N[6,6]-3:C[6]-3:	C[6,6]-3:N[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,2|H<1>,4|C<3>}	N[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	116.5550	0.325	2	116.5550	0.106	2	116.5550	0.106	2	116.5550	0.106	2	118.5398	4.016	29	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[3x6]	N[6,6]	4:3:1:	4:4:3:2:	4:3:3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-4:C[6]-3:C-2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[3x6]C[3x6]C[6,6]C)(N[6,6]C[6,6]2)(O)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]N[6,6]O)(CN)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]N[6])(C[6]C[3x6]O)	C[6](C[3x6]C[3x6]C[6,6]C)(N[6,6]C[6,6]2)(O){1|C<3>,1|N<2>,1|N<3>,3|H<1>,4|C<4>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]N[6,6]O)(CN){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]N[6])(C[6]C[3x6]O){2|C<2>,2|C<3>,2|H<1>,4|C<4>}	117.9040	0.033	2	117.9040	0.001	2	117.9040	0.001	2	117.9040	0.001	2	117.9040	0.001	2	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[4x6]	N[6]	4:3:1:	4:4:3:3:	3:2:1:	C[4x6]-4:N[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[4x6]C[3x6]C[6,6]2)(N[6]O[6]O)(H)	C[4x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6]N[6]H)	N[6](C[6]C[4x6]H)(O[6]C[6])(O)	C[6](C[4x6]C[3x6]C[6,6]2)(N[6]O[6]O)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[4x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6]N[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	N[6](C[6]C[4x6]H)(O[6]C[6])(O){1|H<1>,2|C<3>,2|C<4>}	124.6350	0.668	2	124.6350	0.446	2	124.6350	0.446	2	124.6350	0.446	2	124.6350	0.446	2	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6,6]	3:4:1:	4:4:3:1:	4:3:4:	N[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	C[6,6](C[6,6]N[6,6]C[6]C)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6]C)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){3|H<1>,5|C<4>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){4|C<4>,6|H<1>}	116.8620	0.000	1	116.8620	0.000	1	118.2414	0.482	11	118.2414	0.482	11	118.2284	0.767	18	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6,6]	3:4:1:	4:4:3:1:	4:3:4:	N[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){1|C<3>,3|H<1>,4|C<4>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	117.6465	0.080	2	117.6465	0.006	2	118.2414	0.482	11	118.2414	0.482	11	118.2284	0.767	18	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6,6]	3:4:1:	4:4:3:1:	4:3:4:	N[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	118.1440	0.000	1	118.1475	0.000	2	118.2414	0.482	11	118.2414	0.482	11	118.2284	0.767	18	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6,6]	3:4:1:	4:4:3:1:	4:3:4:	N[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){1|C<3>,3|H<1>,4|C<4>}	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	118.1510	0.000	1	118.1475	0.000	2	118.2414	0.482	11	118.2414	0.482	11	118.2284	0.767	18	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6,6]	3:4:1:	4:4:3:1:	4:3:4:	N[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	118.2660	0.000	1	118.5295	0.139	2	118.2414	0.482	11	118.2414	0.482	11	118.2284	0.767	18	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6,6]	3:4:1:	4:4:3:1:	4:3:4:	N[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){1|C<3>,3|H<1>,4|C<4>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	118.7930	0.000	1	118.5295	0.139	2	118.2414	0.482	11	118.2414	0.482	11	118.2284	0.767	18	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6,6]	3:4:1:	4:4:3:1:	4:3:4:	N[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	118.6835	0.730	2	118.7865	0.232	4	118.2414	0.482	11	118.2414	0.482	11	118.2284	0.767	18	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6,6]	3:4:1:	4:4:3:1:	4:3:4:	N[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){1|C<3>,3|H<1>,4|C<4>}	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	118.8895	0.346	2	118.7865	0.232	4	118.2414	0.482	11	118.2414	0.482	11	118.2284	0.767	18	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6,6]	4:3:1:	3:3:4:1:	4:3:4:	C[6,6]-4:N[6,6]-3:O-1:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O)	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	118.6490	0.000	1	118.6490	0.000	1	117.9100	0.619	3	117.9100	0.619	3	118.2284	0.767	18	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6,6]	4:3:1:	3:3:4:1:	4:3:4:	C[6,6]-4:N[6,6]-3:O-1:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O)	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	117.5405	0.647	2	117.5405	0.419	2	117.9100	0.619	3	117.9100	0.619	3	118.2284	0.767	18	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6,6]	4:3:1:	3:3:4:1:	4:4:3:	C[6,6]-4:N[6,6]-3:O-1:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O)	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O){2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	118.8830	0.000	1	118.8830	0.000	1	118.8830	0.000	1	118.8830	0.000	1	118.2284	0.767	18	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6,6]	4:3:1:	4:3:4:1:	4:3:4:	C[6,6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6]-3:C[6]-4:H-1:	C[3x6]-4:C[6]-3:C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(O)	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]N[6,6]O)(C[6]C[6]HH)(H)	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(O){1|N<3>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]N[6,6]O)(C[6]C[6]HH)(H){3|H<1>,5|C<4>}	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]O)(C[6]C[6]HH){4|H<1>,5|C<4>}	116.6440	0.000	1	116.6440	0.000	1	116.6440	0.000	1	116.6440	0.000	1	118.2284	0.767	18	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6,6]	4:3:1:	4:3:4:3:	4:3:4:	C[6,6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-4:N-3:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(N[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]2O)(C[6]N[6,6]O)(C[6]C[6]HH)(NCH)	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6]N)(N[6,6]C[6,6]C[6])(O){1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]N[6,6]O)(C[6]C[6]HH)(NCH){4|H<1>,5|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]CH){1|N<3>,3|C<4>,6|H<1>}	118.0460	0.000	1	118.0460	0.000	1	118.0460	0.000	1	118.0460	0.000	1	118.2284	0.767	18	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6,6]	4:3:1:	4:3:4:4:	4:3:4:	C[6,6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-4:S-4:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6]S)(N[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]O)(C[6]C[6]HH)(SC[6a]OO)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6]S)(N[6,6]C[6,6]C[6])(O){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]O)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	120.1530	0.000	1	120.1530	0.000	1	120.1530	0.000	1	120.1530	0.000	1	118.2284	0.767	18	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	3:4:1:	4:3:4:3:	3:3:3:	N[6]-3:C[6,6]-4:S-1:	C[6]-4:C[6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(S)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]N[6]S)	N[6](C[6]C[6,6]S)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(S){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]N[6]S){4|H<1>,6|C<3>}	N[6](C[6]C[6,6]S)(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	116.3290	0.000	1	116.3290	0.000	1	116.3290	0.000	1	116.3290	0.000	1	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	3:3:2:1:	3:4:4:	C[6,6]-4:N[6]-3:O-1:	N[6,6]-3:C[6]-3:S[6]-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]N[6,6]S[6]H)(N[6]C[6]C)(O)	C[6,6](N[6,6]C[6]2)(C[6]N[6]O)(S[6]C[6])(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6,6]N[6,6]S[6]H)(N[6]C[6]C)(O){1|C<3>,1|H<1>,3|C<4>}	C[6,6](N[6,6]C[6]2)(C[6]N[6]O)(S[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	117.8347	0.515	3	117.8347	0.265	3	117.8347	0.265	3	117.8347	0.265	3	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6,6]-4:N[6]-3:O-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]H)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]N[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	117.7990	0.000	1	117.7990	0.000	1	117.7990	0.000	1	117.7990	0.000	1	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	3:3:3:2:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6]2O[6])(N[6]C[6]C)(O)	C[6,6](C[6]C[6]H)2(C[6]N[6]O)(O[6]C[6])	N[6](C[6]C[6,6]O)(C[6]C[6]C)(CC[6a]HH)	C[6](C[6,6]C[6]2O[6])(N[6]C[6]C)(O){2|H<1>,4|C<3>}	C[6,6](C[6]C[6]H)2(C[6]N[6]O)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]C)(CC[6a]HH){1|O<1>,1|O<2>,2|C<3>}	117.9565	0.364	2	117.9565	0.133	2	117.9565	0.133	2	117.0803	2.369	3	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	3:3:3:2:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:C[6,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]N[6]O)(N[6]C[6]C)(O)	C[6,6](N[6]C[6,6a]C)(C[6,6]N[6]2)(C[6]N[6]O)(OC)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6,6]N[6]O)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[6,6](N[6]C[6,6a]C)(C[6,6]N[6]2)(C[6]N[6]O)(OC){2|C<4>,3|C<3>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	115.3280	0.000	1	115.3280	0.000	1	115.3280	0.000	1	117.0803	2.369	3	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	3:3:3:4:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]O)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	117.0280	0.000	1	117.0280	0.000	1	117.0280	0.000	1	117.0280	0.000	1	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	3:4:3:1:	3:4:1:	C[6,6]-4:N[6]-3:O-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,5|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.7775	0.678	11	118.7775	0.459	11	118.7775	0.459	11	118.7775	0.459	11	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	3:4:3:1:	3:4:4:	C[6,6]-4:N[6]-3:O-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|O<1>,1|S<2>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.7383	0.427	3	118.6305	0.123	6	118.5537	0.116	10	118.5537	0.116	10	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	3:4:3:1:	3:4:4:	C[6,6]-4:N[6]-3:O-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|O<1>,3|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.5227	0.301	3	118.6305	0.123	6	118.5537	0.116	10	118.5537	0.116	10	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	3:4:3:1:	3:4:4:	C[6,6]-4:N[6]-3:O-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O)	C[6,6](N[6,6]C[6]2)(C[6]S[6]HH)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]S[6]HH)(C[6]N[6]O)(H){1|O<1>,2|H<1>,3|C<4>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.4385	0.338	4	118.4385	0.115	4	118.5537	0.116	10	118.5537	0.116	10	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6,6]-4:N[6]-3:O-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O)	C[6,6](N[6,6]C[6,6]C[4])(C[6]C[5a,6]HH)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	C[6,6](N[6,6]C[6,6]C[4])(C[6]C[5a,6]HH)(C[6]N[6]O)(H){2|H<1>,3|C<3>,3|C<4>}	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	118.9340	0.000	1	118.9340	0.000	1	118.9340	0.000	1	118.9340	0.000	1	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	3:4:3:2:	3:3:3:	C[6,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-4:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6a]C[6])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6]N[6]O)(O[6]C[6])	N[6](C[6]C[6,6a]O)(C[6]C[6,6]O)(C[6a]C[6a]2)	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6]N[6]O)(O[6]C[6]){3|H<1>,6|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6,6]O)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	116.9770	0.000	1	116.9770	0.000	1	117.1325	0.048	2	117.1325	0.048	2	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	3:4:3:2:	3:3:3:	C[6,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-4:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6a]C[6])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]O)(O[6]C[6])	N[6](C[6]C[6,6a]O)(C[6]C[6,6]O)(C[6a]C[6a]2)	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6a]C[6])(O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]O)(O[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6,6]O)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	117.2880	0.000	1	117.2880	0.000	1	117.1325	0.048	2	117.1325	0.048	2	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	3:4:3:2:	3:4:4:	C[6,6]-4:N[6]-3:O-1:	N[6,6]-3:C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]N[6,6]C[6]O)(N[6]C[6]C)(O)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]N)(C[6]N[6]O)(OH)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6,6]N[6,6]C[6]O)(N[6]C[6]C)(O){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]N)(C[6]N[6]O)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	118.5440	0.000	1	118.5440	0.000	1	119.2915	1.118	2	118.1113	4.737	3	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	3:4:3:2:	3:4:4:	C[6,6]-4:N[6]-3:O-1:	N[6,6]-3:C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]N[6,6]C[6]O)(N[6]C[6]C)(O)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]O)(C[6]N[6]O)(OH)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6,6]N[6,6]C[6]O)(N[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]O)(C[6]N[6]O)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	120.0390	0.000	1	120.0390	0.000	1	119.2915	1.118	2	118.1113	4.737	3	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	3:4:3:2:	3:4:4:	C[6,6]-4:N[6]-3:O-1:	N[6,6]-3:C[6]-4:C[6]-3:S-2:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]N[6,6]C[6]S)(N[6]C[6]C)(O)	C[6,6](N[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]N[6]O)(SS)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6,6]N[6,6]C[6]S)(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]N[6]O)(SS){1|O<1>,1|O<2>,4|C<4>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	115.7510	0.000	1	115.7510	0.000	1	115.7510	0.000	1	118.1113	4.737	3	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	3:4:3:4:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH){1|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	118.6943	1.199	3	118.6943	1.438	3	117.8504	1.838	7	117.8504	1.838	7	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	3:4:3:4:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CH3){1|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	118.8180	0.000	1	118.8180	0.000	1	117.8504	1.838	7	117.8504	1.838	7	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	3:4:3:4:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3){3|C<3>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	116.2680	0.000	1	116.2760	0.000	2	117.8504	1.838	7	117.8504	1.838	7	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	3:4:3:4:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3){3|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	116.2840	0.000	1	116.2760	0.000	2	117.8504	1.838	7	117.8504	1.838	7	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	3:4:3:4:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]Si[6]HH)(C[6]N[6]O)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){1|Si<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]Si[6]HH)(C[6]N[6]O)(CH3){2|C<3>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	117.5000	0.000	1	117.5000	0.000	1	117.8504	1.838	7	117.8504	1.838	7	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	3:4:4:3:	3:3:1:	C[6,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]H)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]O)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]H)(O){1|O<1>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]O){2|H<1>,6|C<3>}	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H){2|C<3>,2|C<4>}	116.4165	0.183	2	116.4165	0.034	2	116.4165	0.034	2	116.4165	0.034	2	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6,6]-4:N[6]-3:O-1:	C[5,6,6]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O)	C[6,6](C[5,6,6]C[5,6]C[5]N[6])(C[6]C[6]N)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|O<1>,2|C<4>,2|N<3>}	C[6,6](C[5,6,6]C[5,6]C[5]N[6])(C[6]C[6]N)(C[6]N[6]O)(H){1|C<2>,1|C<3>,3|C<4>,5|H<1>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	115.2670	0.000	1	115.2670	0.000	1	116.0080	0.511	3	116.2778	0.239	12	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6,6]-4:N[6]-3:O-1:	C[5,6,6]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O)	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]O)2(H)	N[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|O<1>,3|C<4>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]O)2(H){2|C<3>,2|C<4>,7|H<1>}	N[6](C[6]C[6,6]O)2(H){1|C<4>,2|C<3>,2|H<1>}	116.3785	0.446	2	116.3785	0.199	2	116.0080	0.511	3	116.2778	0.239	12	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]CC)(C[6]N[6]O)2(H)	N[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]CC)(C[6]N[6]O)2(H){2|C<3>,3|H<1>}	N[6](C[6]C[6,6]O)2(H){1|C<4>,2|C<3>,2|H<1>}	116.5390	0.512	2	116.5390	0.262	2	116.3678	0.164	9	116.2778	0.239	12	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]C[6a]C)(C[6]N[6]O)2(H)	N[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6,6]C[6a]C)(C[6]N[6]O)2(H){3|H<1>,4|C<3>}	N[6](C[6]C[6,6]O)2(H){1|C<4>,2|C<3>,2|H<1>}	116.4603	0.430	4	116.4603	0.185	4	116.3678	0.164	9	116.2778	0.239	12	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]O)2(H)	N[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]O)2(H){2|C<3>,3|H<1>}	N[6](C[6]C[6,6]O)2(H){1|C<4>,2|C<3>,2|H<1>}	116.1303	0.345	3	116.1303	0.119	3	116.3678	0.164	9	116.2778	0.239	12	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:3:3:1:	3:3:3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O)	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O){1|O<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H){1|O<1>,3|C<3>,4|H<1>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	114.6400	0.000	1	114.6400	0.000	1	114.6400	0.000	1	114.6400	0.000	1	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:3:3:1:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]O)2(H)	N[6](C[6]C[6,6]O)2(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]O)2(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6]O)2(CCHH){1|C<4>,2|C<3>,2|H<1>}	116.9393	0.340	4	116.9393	0.116	4	116.9393	0.116	4	117.1838	0.690	12	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:3:3:1:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O)	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]CO)	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O){1|O<2>,3|C<3>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]CO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	116.0370	0.000	1	116.0370	0.000	1	116.4382	0.084	4	117.1838	0.690	12	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:3:3:1:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O)	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	116.5720	0.135	3	116.5720	0.018	3	116.4382	0.084	4	117.1838	0.690	12	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:3:3:1:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(O)	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	117.9960	0.340	3	118.1740	0.204	4	118.1740	0.204	4	117.1838	0.690	12	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:3:3:1:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(O)	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	118.7080	0.000	1	118.1740	0.204	4	118.1740	0.204	4	117.1838	0.690	12	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:3:3:1:	3:4:4:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[5]-4:C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[5]C[6])(O)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)(C[5]C[5]2H)(C[6]C[6]HH)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[5]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[6](C[6]C[6,6]O)(C[5]C[5]2H)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	115.0970	0.000	1	115.0970	0.000	1	115.0970	0.000	1	117.6472	2.218	5	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:3:3:1:	3:4:4:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O)	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.0803	0.346	3	118.0803	0.120	3	118.2848	0.247	4	117.6472	2.218	5	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:3:3:1:	3:4:4:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCCH)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.8980	0.000	1	118.8980	0.000	1	118.2848	0.247	4	117.6472	2.218	5	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:3:3:3:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(C[6]N[6]O)2	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>,2|N<3>,2|O<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(C[6]N[6]O)2{1|C<2>,1|H<1>,3|C<4>,4|C<3>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>}	117.4155	0.878	2	117.4155	0.770	2	117.4155	0.770	2	117.4155	0.770	2	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:3:3:4:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O)	C[6,6](C[6]C[6,6a]CH)(C[6,6]N[6]2)(C[6]N[6]O)(CC[6a]HH)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6,6](C[6]C[6,6a]CH)(C[6,6]N[6]2)(C[6]N[6]O)(CC[6a]HH){2|C<4>,3|C<3>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	117.7670	0.000	1	117.7670	0.000	1	117.7670	0.000	1	117.7670	0.000	1	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:3:3:4:	4:3:3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]N[6]O)(CH3)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	119.7470	0.000	1	119.7470	0.000	1	119.7470	0.000	1	119.7470	0.000	1	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:3:4:3:	3:3:1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]H)(O)	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]H)(O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O){1|N<3>,2|O<1>,3|C<3>,5|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	115.9140	0.000	1	115.9140	0.000	1	115.9140	0.000	1	115.9140	0.000	1	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:3:4:3:	3:4:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(O){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O){2|C<4>,3|C<3>,7|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	120.3960	0.000	1	120.3960	0.000	1	120.3960	0.000	1	120.3960	0.000	1	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]H)(O){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	115.2050	0.000	1	115.2050	0.000	1	115.2050	0.000	1	116.6946	0.675	7	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)2(H){2|H<1>,3|C<4>}	116.9428	0.541	6	116.9428	0.293	6	116.9428	0.293	6	116.6946	0.675	7	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:1:	3:3:3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	117.3730	0.161	2	116.9587	0.429	4	116.9587	0.429	4	117.0078	0.313	6	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:1:	3:3:3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){1|Si<4>,2|C<3>,3|C<4>,3|H<1>}	116.5445	0.757	2	116.9587	0.429	4	116.9587	0.429	4	117.0078	0.313	6	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:1:	3:3:3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O)	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	117.4590	0.000	1	117.4590	0.000	1	117.4590	0.000	1	117.0078	0.313	6	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:1:	3:3:3:	C[6,6]-4:N[6]-3:S-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(S)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]S)(H)	N[6](C[6]C[6,6]O)(C[6]C[6,6]S)(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(S){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]S)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6,6]S)(C[6a]C[6a]2){1|Si<4>,2|C<3>,3|C<4>,3|H<1>}	116.7530	0.000	1	116.7530	0.000	1	116.7530	0.000	1	117.0078	0.313	6	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:1:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]2Cl)(N[6]C[6,6a]C)(O)	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6,6]C[6,6a]O[6]O)(C[6]N[6]O)(Cl)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	C[6](C[6,6]C[6,6]2Cl)(N[6]C[6,6a]C)(O){2|C<3>,2|C<4>,3|O<2>}	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6,6]C[6,6a]O[6]O)(C[6]N[6]O)(Cl){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	115.6690	0.000	1	115.6690	0.000	1	115.6690	0.000	1	116.7943	2.764	3	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:1:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CC[6a]HH){1|S<4>,2|C<4>,2|H<1>}	118.7040	0.000	1	118.7040	0.000	1	117.3570	3.629	2	116.7943	2.764	3	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:1:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)(C[6]N[6,6]S)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|C<4>,1|N<3>,1|S<1>,4|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6]O)(C[6]N[6,6]S)(CC[6a]HH){1|H<1>,3|C<4>}	116.0100	0.000	1	116.0100	0.000	1	117.3570	3.629	2	116.7943	2.764	3	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){3|C<4>,6|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	118.9950	0.000	1	118.9950	0.000	1	118.9950	0.000	1	118.9950	0.000	1	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:1:	3:4:3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]O){2|C<4>,3|H<1>}	119.0120	0.000	1	119.0120	0.000	1	119.0120	0.000	1	119.0120	0.000	1	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:1:	3:4:4:	C[6,6]-4:N[6]-3:O-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]C)(O)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]O)(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,3|H<1>}	119.7200	0.000	1	119.7200	0.000	1	119.7200	0.000	1	118.4560	1.862	5	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:1:	3:4:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]N[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,3|H<1>}	119.4220	0.000	1	119.4220	0.000	1	118.1400	1.816	4	118.4560	1.862	5	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:1:	3:4:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){1|O<2>,4|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH){2|C<4>,3|H<1>}	116.3950	0.000	1	116.3950	0.000	1	118.1400	1.816	4	118.4560	1.862	5	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:1:	3:4:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,3|H<1>}	118.3715	0.808	2	118.3715	0.653	2	118.1400	1.816	4	118.4560	1.862	5	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:1:	4:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	119.4350	0.000	1	119.4350	0.000	1	118.7708	2.209	5	118.0949	2.155	8	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:1:	4:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CO)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CO)(C[6]N[6]O)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	119.9390	0.000	1	119.9390	0.000	1	118.7708	2.209	5	118.0949	2.155	8	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:1:	4:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CO)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|N<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CO)(C[6]N[6]O)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	120.0890	0.000	1	120.0890	0.000	1	118.7708	2.209	5	118.0949	2.155	8	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:1:	4:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6]O)(CC[5a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H){3|C<4>,5|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6]O)(CC[5a]HH){2|C<3>,2|C<4>,2|H<1>}	117.1955	0.573	2	117.1955	0.329	2	118.7708	2.209	5	118.0949	2.155	8	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:1:	4:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(O){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]N[6]O)(H){1|S<4>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(SC[6a]OO){2|H<1>,3|C<4>}	116.9683	0.280	3	116.9683	0.078	3	116.9683	0.078	3	118.0949	2.155	8	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:2:	3:4:4:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6,6]-4:C[6]-3:C-2:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6]O)(CN)	N[6](C[6]C[6,6]O)(C[6]C[6]HO)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6]O)(CN){2|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HO)(CC[6a]HH){1|C<2>,2|C<4>,2|H<1>}	118.4890	0.000	1	118.4890	0.000	1	118.4890	0.000	1	118.4890	0.000	1	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:2:	4:3:1:	C[6,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]H)(O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(C[6]N[6]O)(CN)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]H)(O){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(C[6]N[6]O)(CN){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	117.5490	0.000	1	117.5490	0.000	1	117.5490	0.000	1	117.5490	0.000	1	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:3:	3:3:1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]H)(O)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6]N[6]O)2	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|N<3>,2|O<1>,3|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6]N[6]O)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,3|C<4>}	116.5980	0.000	1	116.5980	0.000	1	116.5980	0.000	1	116.9304	0.680	7	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:3:	3:3:1:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)2	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)2{2|H<1>,4|C<3>}	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H){2|C<3>,2|C<4>}	116.4455	0.962	2	116.4455	0.926	2	116.9858	0.790	6	116.9304	0.680	7	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:3:	3:3:1:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]N[6]O)2	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]N[6]O)2{1|C<4>,3|H<1>,6|C<3>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	117.3020	0.970	2	117.3020	0.941	2	116.9858	0.790	6	116.9304	0.680	7	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:3:	3:3:1:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	C[6,6](C[6]C[6a]N[6]H)2(C[6]N[6]O)2	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|N<2>,2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6,6](C[6]C[6a]N[6]H)2(C[6]N[6]O)2{3|H<1>,6|C<3>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	117.2100	1.095	2	117.2100	1.198	2	116.9858	0.790	6	116.9304	0.680	7	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:3:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(O)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6]N[6]O)2	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|N<3>,2|O<1>,3|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6]N[6]O)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CCHH){1|C<3>,1|H<1>,2|C<4>}	120.1020	0.000	1	120.1020	0.000	1	120.1020	0.000	1	117.8417	0.793	21	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:3:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(C[6]N[6]O)2	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(C[6]N[6]O)2{1|H<1>,2|C<4>,7|C<3>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	118.0857	0.341	4	118.0857	0.116	4	117.7287	0.553	20	117.8417	0.793	21	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:3:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(C[6]N[6]O)2	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(C[6]N[6]O)2{2|C<4>,4|C<3>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	116.5955	0.870	2	116.5955	0.758	2	117.7287	0.553	20	117.8417	0.793	21	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:3:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6]N[6]O)2	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6]N[6]O)2{2|C<4>,2|H<1>,5|C<3>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	117.5440	0.443	2	117.5440	0.196	2	117.7287	0.553	20	117.8417	0.793	21	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:3:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6,6](C[6]C[6a]C[6]H)2(C[6]N[6]O)2	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6]C[6a]C[6]H)2(C[6]N[6]O)2{2|C<4>,4|H<1>,6|C<3>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	118.5643	0.396	4	118.5643	0.157	4	117.7287	0.553	20	117.8417	0.793	21	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:3:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(C[6]N[6]O)2	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(C[6]N[6]O)2{1|S<4>,2|C<4>,5|C<3>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	117.2690	0.587	2	117.2690	0.344	2	117.7287	0.553	20	117.8417	0.793	21	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:3:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6,6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(C[6]N[6]O)2	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|H<1>}	C[6,6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(C[6]N[6]O)2{1|H<1>,3|C<3>,4|C<4>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	117.5262	0.596	6	117.5262	0.356	6	117.7287	0.553	20	117.8417	0.793	21	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:3:	3:4:1:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)2{4|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	120.0710	0.000	1	120.0710	0.000	1	120.0710	0.000	1	120.0710	0.000	1	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:3:	3:4:4:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)2{4|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	120.1940	0.000	1	120.1940	0.000	1	120.1940	0.000	1	118.5263	1.847	4	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:3:	3:4:4:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6]2N[6])(N[6]C[6]C)(O)	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(C[6]N[6]O)(N[6]C[6]C)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)	C[6](C[6,6]C[6]2N[6])(N[6]C[6]C)(O){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(C[6]N[6]O)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH){1|N<3>,2|C<4>,2|H<1>}	118.9140	0.000	1	118.9140	0.000	1	117.9703	0.916	3	118.5263	1.847	4	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:3:	3:4:4:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6]2N[6])(N[6]C[6]C)(O)	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)(N[6]C[6]H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6,6]C[6]2N[6])(N[6]C[6]C)(O){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)(N[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>}	117.4985	0.705	2	117.4985	0.497	2	117.9703	0.916	3	118.5263	1.847	4	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:3:	4:3:1:	C[6,6]-4:N[6]-3:O-1:	C[3x6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]N[6]O)(COO)	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(O){1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]N[6]O)(COO){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]O)(H){2|C<3>,2|C<4>,3|H<1>}	119.0720	0.668	2	119.0720	0.446	2	119.0720	0.446	2	119.0720	0.446	2	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]H)(O)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]N[6]HH)(C[6]N[6]O)(CHHO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]H)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]N[6]HH)(C[6]N[6]O)(CHHO){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	116.4377	0.251	3	116.4377	0.063	3	116.4377	0.063	3	116.5346	0.049	5	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:4:	3:3:1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	N[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(O){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	N[6](C[6]C[6,6]O)2(H){5|C<4>}	116.6800	0.035	2	116.6800	0.001	2	116.6800	0.001	2	116.5346	0.049	5	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:4:	3:3:3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH){3|C<3>,3|C<4>}	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){1|H<1>,2|C<3>,6|C<4>}	116.9428	0.310	4	116.9428	0.096	4	117.1311	0.164	18	117.3159	0.357	21	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:4:	3:3:3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){3|C<3>,3|C<4>}	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){1|H<1>,2|C<3>,6|C<4>}	117.0633	0.432	10	117.1849	0.178	14	117.1311	0.164	18	117.3159	0.357	21	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:4:	3:3:3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){3|C<3>,3|C<4>}	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){2|C<3>,2|H<1>,5|C<4>}	117.4890	0.201	4	117.1849	0.178	14	117.1311	0.164	18	117.3159	0.357	21	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:4:	3:3:3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:Si-4:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]Si)(N[6]C[6a]C[6])(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(SiC3)	N[6](C[6]C[6,6]O)(C[6]C[6,6]S)(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6]Si)(N[6]C[6a]C[6])(O){1|S<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(SiC3){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6,6]S)(C[6a]C[6a]2){1|Si<4>,2|C<3>,3|C<4>,3|H<1>}	118.6060	0.000	1	118.6060	0.000	1	118.4247	0.025	3	117.3159	0.357	21	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:4:	3:3:3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:Si-4:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]Si)(N[6]C[6a]C[6])(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(SiC3)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6]Si)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(SiC3){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){1|Si<4>,2|C<3>,3|C<4>,3|H<1>}	118.3340	0.013	2	118.3340	0.000	2	118.4247	0.025	3	117.3159	0.357	21	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:4:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH){2|H<1>,3|C<4>}	117.6154	0.344	5	117.6154	0.118	5	117.4210	0.123	11	117.4210	0.123	11	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:4:	3:3:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	N[6](C[6]C[6,6]O)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<3>,4|C<4>}	N[6](C[6]C[6,6]O)2(CCHH){5|C<4>}	117.2590	0.287	6	117.2590	0.083	6	117.4210	0.123	11	117.4210	0.123	11	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:4:	4:3:1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(O){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,4|C<4>}	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H){5|C<4>}	117.4910	0.000	1	117.4910	0.000	1	117.4910	0.000	1	117.4910	0.000	1	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:4:	4:3:4:	C[6,6]-4:N[6]-3:O-1:	C[4x6]-4:C[6]-4:C[6]-3:C-4:	C[3x6]-4:C[6]-3:C-4:	C[6](C[6,6]C[4x6]C[6]C)(N[6]C[3x6]C)(O)	C[6,6](C[4x6]C[5x6]C[6,6]H)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	N[6](C[3x6]C[5x6]C[6,6]H)(C[6]C[6,6]O)(CCHH)	C[6](C[6,6]C[4x6]C[6]C)(N[6]C[3x6]C)(O){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[4x6]C[5x6]C[6,6]H)(C[6]C[6]HH)(C[6]N[6]O)(CH3){1|O<2>,3|H<1>,5|C<4>}	N[6](C[3x6]C[5x6]C[6,6]H)(C[6]C[6,6]O)(CCHH){1|C<3>,6|C<4>}	119.1640	0.000	1	119.1640	0.000	1	119.1640	0.000	1	119.1640	0.000	1	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:4:3:	3:4:1:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	C[6,6](C[6]C[5a,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]N[6]O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]N[6]O){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	119.7490	1.065	2	119.7490	1.134	2	119.8743	0.614	3	119.8743	0.614	3	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:4:3:	3:4:1:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){4|C<4>,7|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]O){2|C<4>,7|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	120.1250	0.000	1	120.1250	0.000	1	119.8743	0.614	3	119.8743	0.614	3	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:4:3:	3:4:4:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){4|C<4>,7|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]O){3|C<4>,6|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){2|H<1>,3|C<4>}	120.7190	0.223	2	120.7190	0.050	2	120.7190	0.050	2	120.7190	0.050	2	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:2:	4:4:3:2:	3:3:1:	C[6,6]-4:N[6]-3:N-2:	C[6,6]-4:C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(NC[6a])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]N)(CN)	N[6](C[6]C[6,6]N)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(NC[6a]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]N)(CN){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[6,6]N)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	116.3680	0.000	1	116.3680	0.000	1	116.3680	0.000	1	116.3680	0.000	1	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6,6]-4:N[6]-3:C-3:	N[6,6]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(CCH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(CCH){2|H<1>,3|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]C)(H){1|H<1>,1|S<4>,4|C<3>}	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	109.9910	0.148	2	109.9910	0.022	2	109.9910	0.022	2	109.9910	0.022	2	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:3:	4:4:4:3:	3:4:1:	C[6,6]-4:N[6]-3:N-3:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6]3)(N[6]C[6]O)(NHH)	C[6,6](C[6]C[6]HH)3(C[6]N[6]N)	N[6](C[6]C[6,6]N)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6]3)(N[6]C[6]O)(NHH){3|C<4>,8|H<1>}	C[6,6](C[6]C[6]HH)3(C[6]N[6]N){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	N[6](C[6]C[6,6]N)(C[6]C[6]HH)(O){1|O<2>,4|C<4>}	123.1800	0.000	1	123.1800	0.000	1	123.1800	0.000	1	123.1800	0.000	1	117.6013	2.212	197	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:2:1:1:	4:3:3:	N[6,6]-3:C[6]-4:H-1:	C[6]-3:O[6]-2:H-1:H-1:	S[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]S[6])(C[6]O[6]HH)(H)	C[6](C[6]N[6,6]H)(O[6]C[6])(H)2	N[6,6](S[6]C[6,6a]OO)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]O[6]HH)(H){2|O<1>,3|C<3>}	C[6](C[6]N[6,6]H)(O[6]C[6])(H)2{1|S<4>,2|C<3>}	N[6,6](S[6]C[6,6a]OO)(C[6,6]C[6]2)(C[6]C[6]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	110.0140	0.000	1	110.0140	0.000	1	110.0140	0.000	1	110.0140	0.000	1	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:2:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(O)	C[6](C[6]N[6,6]O)(O[6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]O)(O[6]C[6])(H)2{1|H<1>,3|C<4>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	116.8630	0.000	1	116.8630	0.000	1	116.8630	0.000	1	116.8630	0.000	1	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:1:1:	3:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6]HH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6]HH)(O){1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	119.3920	0.000	1	119.1545	0.113	2	119.1545	0.113	2	119.1545	0.113	2	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:1:1:	3:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6]HH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6]HH)(O){1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	118.9170	0.000	1	119.1545	0.113	2	119.1545	0.113	2	119.1545	0.113	2	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:1:1:	4:3:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[3,6,6]-4:C[6,6a]-3:C[6]-3:	C[6](N[6,6]C[3,6,6]C[6,6a])(C[6]N[6]HH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	N[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6](N[6,6]C[3,6,6]C[6,6a])(C[6]N[6]HH)(O){1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	117.8513	0.822	3	117.8513	0.675	3	117.8513	0.675	3	117.8750	1.005	5	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:1:1:	4:3:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6](N[6,6]C[5,6,6]C[6,6a])(C[6]N[6]HH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	N[6,6](C[5,6,6]C[5,6]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6](N[6,6]C[5,6,6]C[6,6a])(C[6]N[6]HH)(O){1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[6,6](C[5,6,6]C[5,6]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	119.0650	0.000	1	119.0650	0.000	1	119.0650	0.000	1	117.8750	1.005	5	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:1:1:	4:3:3:	N[6,6]-3:C[6]-4:O-1:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	C[6](N[6]C[6a]C[6])(C[6]N[6,6]O)(H)2	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6,6]O)(H)2{1|C<4>,1|O<1>,3|C<3>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	116.7560	0.000	1	116.7560	0.000	1	116.7560	0.000	1	117.8750	1.005	5	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6a]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2	N[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6a]HH)(O){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	117.0010	0.000	1	117.0010	0.000	1	117.0010	0.000	1	117.7731	1.561	17	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2	N[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,3|C<3>,4|H<1>}	117.3360	0.000	1	117.3360	0.000	1	117.5655	0.105	2	117.7731	1.561	17	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	117.7950	0.000	1	117.7950	0.000	1	117.5655	0.105	2	117.7731	1.561	17	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	117.3890	0.000	1	117.3890	0.000	1	117.3890	0.000	1	117.7731	1.561	17	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,6|H<1>}	117.3000	0.000	1	118.9070	1.186	5	118.9070	1.186	5	117.7731	1.561	17	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,6|H<1>}	119.3088	0.711	4	118.9070	1.186	5	118.9070	1.186	5	117.7731	1.561	17	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	N[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	N[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O){1|O<1>,2|N<3>,3|C<3>,4|H<1>}	117.9297	0.148	3	117.9297	0.022	3	117.9297	0.022	3	117.7731	1.561	17	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	C[6](N[6]C[6a]C[6])(C[6]N[6,6]O)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6,6]O)(H)2{1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	117.4977	0.383	4	117.4977	0.147	4	117.4977	0.147	4	117.7731	1.561	17	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	C[6](N[6]C[5]C[6])(C[6]N[6,6]O)(H)2	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[5]C[6])(C[6]N[6,6]O)(H)2{1|H<1>,1|O<1>,4|C<4>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	114.3070	0.000	1	114.3070	0.000	1	114.3070	0.000	1	117.7731	1.561	17	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:3:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CHH)(H)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CHH)(H){1|O<1>,2|C<4>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	118.3280	0.000	1	118.3280	0.000	1	118.3280	0.000	1	118.3280	0.000	1	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:4:1:	3:3:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	N[6,6](N[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	115.8570	0.000	1	115.8570	0.000	1	115.8570	0.000	1	115.8570	0.000	1	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:4:1:	3:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HN)(C[6]C[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HN)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	114.5275	0.005	2	114.5275	0.000	2	114.5998	0.036	4	114.5998	0.036	4	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:4:1:	3:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	114.6720	0.294	2	114.6720	0.087	2	114.5998	0.036	4	114.5998	0.036	4	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:4:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|H<1>}	118.5968	0.632	4	118.6181	0.210	7	118.6517	0.276	25	118.6517	0.276	25	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:4:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	118.6467	0.167	3	118.6181	0.210	7	118.6517	0.276	25	118.6517	0.276	25	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:4:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]S[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]S[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	118.4233	0.199	3	118.4233	0.040	3	118.6517	0.276	25	118.6517	0.276	25	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:4:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	N[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	118.1620	0.608	3	118.1620	0.370	3	118.6517	0.276	25	118.6517	0.276	25	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:4:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]N[6,6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|O<1>,2|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	118.8508	0.539	12	118.8508	0.291	12	118.6517	0.276	25	118.6517	0.276	25	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	3:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-3:	C[6](N[6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]CC)(H)2	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O)(C[6]C[6]O)	C[6](N[6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,4|C<4>}	C[6](C[6]N[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O)(C[6]C[6]O){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	118.5865	1.132	2	118.5865	1.282	2	118.5865	1.282	2	117.6787	3.113	3	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	3:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	115.8630	0.000	1	115.8630	0.000	1	115.8630	0.000	1	117.6787	3.113	3	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:3:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	118.8140	0.000	1	118.8140	0.000	1	116.2157	5.126	3	116.2157	5.126	3	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:3:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,3|H<1>,5|C<3>}	114.9165	0.353	2	114.9165	0.125	2	116.2157	5.126	3	116.2157	5.126	3	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]CC)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	C[6](C[6]N[6,6]O)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,7|H<1>}	117.7810	0.000	1	117.7810	0.000	1	118.6232	1.186	35	118.6029	1.130	37	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	119.7020	0.000	1	119.7020	0.000	1	118.6232	1.186	35	118.6029	1.130	37	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(H)2{1|H<1>,3|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	118.4260	0.000	1	118.4260	0.000	1	118.6232	1.186	35	118.6029	1.130	37	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	N[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<2>,2|C<4>,6|H<1>}	119.3080	0.000	1	119.3080	0.000	1	118.6232	1.186	35	118.6029	1.130	37	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	120.6270	0.000	1	120.6270	0.000	1	118.6232	1.186	35	118.6029	1.130	37	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	119.5950	0.000	1	119.8245	0.105	2	118.6232	1.186	35	118.6029	1.130	37	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	120.0540	0.000	1	119.8245	0.105	2	118.6232	1.186	35	118.6029	1.130	37	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	116.3000	1.356	2	116.3000	1.839	2	118.6232	1.186	35	118.6029	1.130	37	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	118.4080	0.000	1	118.9168	0.629	4	118.6232	1.186	35	118.6029	1.130	37	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	119.4540	0.854	2	118.9168	0.629	4	118.6232	1.186	35	118.6029	1.130	37	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	118.3510	0.000	1	118.9168	0.629	4	118.6232	1.186	35	118.6029	1.130	37	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	118.6059	0.675	12	118.6059	0.456	12	118.6232	1.186	35	118.6029	1.130	37	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	118.1740	0.000	1	118.1740	0.000	1	118.6232	1.186	35	118.6029	1.130	37	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	119.3975	0.289	2	119.3100	0.048	4	118.6232	1.186	35	118.6029	1.130	37	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	119.0980	0.000	1	119.3100	0.048	4	118.6232	1.186	35	118.6029	1.130	37	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	119.3470	0.000	1	119.3100	0.048	4	118.6232	1.186	35	118.6029	1.130	37	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,7|H<1>}	119.4910	0.000	1	119.4910	0.000	1	118.6232	1.186	35	118.6029	1.130	37	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|O<2>,2|C<4>,7|H<1>}	118.7650	0.000	1	118.7650	0.000	1	118.6232	1.186	35	118.6029	1.130	37	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HS)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|S<2>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HS)(H)2{2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	117.6090	0.000	1	117.6090	0.000	1	118.6232	1.186	35	118.6029	1.130	37	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2{1|H<1>,2|C<4>}	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,6|H<1>}	116.6950	0.000	1	116.6950	0.000	1	118.6232	1.186	35	118.6029	1.130	37	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]O[6]CH)(H)2	N[6,6](C[6,6]C[5a,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]N[6,6]O)(C[6]O[6]CH)(H)2{2|C<4>}	N[6,6](C[6,6]C[5a,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	116.8080	0.000	1	116.8080	0.000	1	118.6232	1.186	35	118.6029	1.130	37	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	N[6,6](C[6]C[3,5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	N[6,6](C[6]C[3,5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O){1|O<2>,3|C<4>,6|H<1>}	118.0250	0.000	1	118.0250	0.000	1	118.0250	0.000	1	118.6029	1.130	37	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:S-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(S)	C[6](C[6]N[6,6]S)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]S)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(S){4|C<4>,4|H<1>}	C[6](C[6]N[6,6]S)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]S){2|C<4>,8|H<1>}	118.4690	0.000	1	118.4690	0.000	1	118.4690	0.000	1	118.6029	1.130	37	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:3:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(COO)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(COO)(H){2|C<4>,2|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	118.1210	0.000	1	118.1210	0.000	1	118.1210	0.000	1	115.9143	3.663	3	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:3:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(NCH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(O){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(NCH)(H){2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	114.8110	0.151	2	114.8110	0.023	2	114.8110	0.023	2	115.9143	3.663	3	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:4:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CCHH)(H)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	119.7795	0.343	2	119.7795	0.118	2	119.7795	0.118	2	119.7795	0.118	2	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	4:3:1:1:	3:3:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6,6]-3:C[6,6a]-3:C[6]-3:	C[6](N[6,6]C[5a,6,6]C[6,6a])(C[6]C[6]HH)(O)	C[6](C[6]N[5a,6]HH)(C[6]N[6,6]O)(H)2	N[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6](N[6,6]C[5a,6,6]C[6,6a])(C[6]C[6]HH)(O){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]HH)(C[6]N[6,6]O)(H)2{1|N<2>,2|C<3>}	N[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	115.7665	0.397	2	115.7665	0.157	2	115.7665	0.157	2	115.7665	0.157	2	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	4:3:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]O)(H)2	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]O)(H)2{3|H<1>,4|C<4>}	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	116.3950	1.215	2	116.3950	1.476	2	116.3950	1.476	2	118.1178	1.913	8	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	4:3:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]ClH)(O)	C[6](C[6]C[6a]C[6]O)(C[6]N[6,6]O)(Cl)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]ClH)(O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6a]C[6]O)(C[6]N[6,6]O)(Cl)(H){2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){1|Cl<1>,2|C<4>,7|H<1>}	118.0580	0.000	1	118.0580	0.000	1	118.0580	0.000	1	118.1178	1.913	8	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	4:3:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4x6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[3x6]HH)(C[6]N[6,6]O)(H)2	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]N[6,6]O)(H)2{1|H<1>,3|C<4>}	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,4|C<4>,8|H<1>}	119.4400	0.130	2	119.4400	0.017	2	119.4400	0.017	2	118.1178	1.913	8	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	4:3:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]N[6,6]O)(H)2	N[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]N[6,6]O)(H)2{1|H<1>,3|C<4>}	N[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,3|C<4>,7|H<1>}	117.3910	0.000	1	117.3910	0.000	1	117.3910	0.000	1	118.1178	1.913	8	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	4:3:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[3x6]-4:C[6]-3:	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]O)(H)2	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O)	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(O){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]O)(H)2{1|H<1>,3|C<4>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O){6|C<4>,6|H<1>}	118.3320	0.000	1	118.3320	0.000	1	118.3320	0.000	1	118.1178	1.913	8	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	4:3:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6a]C[6]O)(C[6]N[6,6]O)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6a]C[6]O)(C[6]N[6,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){2|C<4>,8|H<1>}	119.4910	0.000	1	119.4910	0.000	1	119.4910	0.000	1	118.1178	1.913	8	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	4:3:2:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(O)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]N[6,6]O)(CN)(H)	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]N[6,6]O)(CN)(H){2|C<3>,3|C<4>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	116.3720	0.000	1	116.3720	0.000	1	116.3720	0.000	1	116.3720	0.000	1	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	4:3:3:1:	3:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(COO)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]O)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	118.6100	0.000	1	118.6100	0.000	1	117.5645	2.186	2	117.5645	2.186	2	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	4:3:3:1:	3:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(COO)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]O)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	116.5190	0.000	1	116.5190	0.000	1	117.5645	2.186	2	117.5645	2.186	2	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	4:3:4:1:	3:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[5,6]HH)(C[6]N[6,6]O)(CCHH)(H)	N[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]CH)(O){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6,6]O)(CCHH)(H){2|C<3>,2|C<4>}	N[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,3|H<1>,5|C<4>}	117.7730	0.000	1	117.7730	0.000	1	117.7730	0.000	1	117.7730	0.000	1	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	4:3:4:1:	4:3:3:	N[6,6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6,6]O)(CCHH)(H)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6,6]O)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	114.1500	0.000	1	114.1500	0.000	1	114.1500	0.000	1	114.1500	0.000	1	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	4:3:4:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O)	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H)	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H){3|C<4>}	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|H<1>,4|C<4>}	118.4910	0.000	1	118.4910	0.000	1	118.4910	0.000	1	119.1755	0.937	2	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:1:	4:3:4:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[5]C[6]H)(C[6]N[6,6]O)(CCHH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]N[6,6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>,2|S<2>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	119.8600	0.000	1	119.8600	0.000	1	119.8600	0.000	1	119.1755	0.937	2	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:2:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|N<4>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,7|H<1>}	121.0690	0.000	1	121.0690	0.000	1	121.0690	0.000	1	121.0690	0.000	1	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:2:	3:4:3:1:	3:3:3:	N[6,6]-3:C[6]-4:N-2:	C[6]-3:C[5]-4:N[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5]N[6]H)(NC[6a])	C[6](C[6]N[6,6]N)(C[5]C[5]2H)(N[6]N[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5]N[6]H)(NC[6a]){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]N)(C[5]C[5]2H)(N[6]N[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]N){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	112.2230	0.000	1	112.2230	0.000	1	112.2230	0.000	1	112.2230	0.000	1	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:2:	3:4:3:1:	3:4:3:	N[6,6]-3:C[6]-4:N-2:	C[6]-3:C[6]-4:N-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(NC[6a])	C[6](C[6]N[6,6]N)(C[6]C[6]HH)(NCH)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(NC[6a]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]N[6,6]N)(C[6]C[6]HH)(NCH)(H){1|C<3>,1|C<4>,2|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]N){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.9340	0.000	1	119.9340	0.000	1	119.9340	0.000	1	119.9340	0.000	1	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:4:3:	3:2:1:1:	3:3:3:	N[6,6]-3:C[6]-4:C-3:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6,6a]-3:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]O[6]HH)(CHI)	C[6](C[6]N[6,6]C)(O[6]C[6,6a])(H)2	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]O[6]HH)(CHI){1|H<1>,3|C<3>}	C[6](C[6]N[6,6]C)(O[6]C[6,6a])(H)2{3|C<3>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(C[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	111.5110	0.000	1	111.5110	0.000	1	111.5110	0.000	1	111.5110	0.000	1	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	4:3:1:	3:3:3:4:	4:4:3:	C[6]-4:N[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6,6a]C[6a]C)(N[6,6]C[6,6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]2)(CH3)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[6]C[6,6a]C[6a]C)(N[6,6]C[6,6]C[6])(O){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]2)(CH3){2|C<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	117.1870	0.000	1	117.1870	0.000	1	117.1870	0.000	1	117.1870	0.000	1	117.8980	3.245	127	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:1:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	O[6]-2:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6]O[6]HH)(O)	C[6](O[6]C[5a,6])(C[6]N[6]O)(H)2	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(H)	C[6](N[6]C[5a,6]H)(C[6]O[6]HH)(O){2|C<3>}	C[6](O[6]C[5a,6])(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>}	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	118.7570	0.000	1	118.7570	0.000	1	118.7570	0.000	1	116.0300	2.513	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:1:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]O[6]HH)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]O[6]HH)(O){2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|H<1>}	115.8300	0.000	1	115.8300	0.000	1	115.8300	0.000	1	116.0300	2.513	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:1:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	S[6]-2:C[6]-3:F-1:F-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]S[6]FF)(O)	C[6](S[6]C[6,6a])(C[6]N[6]O)(F)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]FF)(O){2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(F)2{1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,1|S<2>,2|C<3>,2|F<1>}	115.4780	0.000	1	115.4780	0.000	1	115.4780	0.000	1	116.0300	2.513	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:1:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	S[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(O)	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(O){2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){2|C<3>,2|H<1>,2|S<2>}	115.0425	0.566	2	115.0425	0.321	2	115.0425	0.321	2	116.0300	2.513	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:1:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(O){4|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|O<2>,4|C<3>,5|H<1>}	115.6250	0.000	1	115.6250	0.000	1	115.6250	0.000	1	115.6250	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:1:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(O){2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,3|H<1>}	115.9591	0.937	7	115.9591	0.878	7	116.0682	0.737	9	116.4421	0.812	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:1:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(O){2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|O<2>,2|C<3>,3|H<1>}	116.4500	0.505	2	116.4500	0.255	2	116.0682	0.737	9	116.4421	0.812	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:1:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	S[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O)	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O){2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|S<2>,2|C<3>,3|H<1>}	117.1808	0.630	4	117.1808	0.398	4	116.6825	0.761	14	116.4421	0.812	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:1:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	S[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O)	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5]HH)	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O){2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5]HH){1|S<2>,2|C<3>,3|H<1>}	116.7190	0.000	1	116.7190	0.000	1	116.6825	0.761	14	116.4421	0.812	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:1:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	S[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O)	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH)	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O){2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH){1|S<2>,2|C<3>,3|H<1>}	116.0868	1.098	5	116.0868	1.206	5	116.6825	0.761	14	116.4421	0.812	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:1:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	S[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O)	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O){2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|S<2>,2|C<3>,3|H<1>}	116.8390	0.000	1	116.8390	0.000	1	116.6825	0.761	14	116.4421	0.812	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:1:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	S[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O)	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O){2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|S<2>,2|C<3>,3|H<1>}	116.9467	0.660	3	116.9467	0.435	3	116.6825	0.761	14	116.4421	0.812	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:1:1:	3:4:3:	N[6]-3:C[6]-4:O-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6,6a]C[6])(C[6]O[6]HH)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]O)	C[6](N[6]C[6,6a]C[6])(C[6]O[6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	115.4730	0.000	1	115.4730	0.000	1	115.4730	0.000	1	115.4730	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:1:1:	4:3:1:	N[6]-3:C[6]-4:O-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]O[6]HH)(O)	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6,6]H)(C[6]O[6]HH)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,3|H<1>}	117.9780	0.000	1	117.9780	0.000	1	117.9780	0.000	1	117.9780	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:1:1:	4:3:3:	N[6]-3:C[6]-4:O-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O)	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){2|O<2>,3|C<3>,4|H<1>}	117.4620	0.000	1	117.4620	0.000	1	117.4620	0.000	1	117.4620	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:1:1:	4:4:3:	N[6]-3:C[6]-4:O-1:	O[6]-2:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(O)	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2	N[6](C[5]C[5,6a]2H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	N[6](C[5]C[5,6a]2H)(C[6]C[6,6]HH)(C[6]C[6]O){2|H<1>,2|O<2>,5|C<3>}	118.0340	0.000	1	118.0340	0.000	1	118.0340	0.000	1	118.0340	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:3:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	S[6]-2:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O){2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]O)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|S<2>,2|H<1>,3|C<3>}	119.0930	0.000	1	119.0930	0.000	1	119.0930	0.000	1	119.0930	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:4:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	S[6]-2:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CCHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O){2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(CCHH)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	115.9970	0.000	1	115.9970	0.000	1	116.5455	0.602	2	116.5455	0.602	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:4:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	S[6]-2:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]HO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O){2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]HO)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	117.0940	0.000	1	117.0940	0.000	1	116.5455	0.602	2	116.5455	0.602	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:4:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CC3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O){2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]O)(CC3)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.1250	0.000	1	118.1250	0.000	1	116.8653	2.913	3	116.8653	2.913	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:4:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CC3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O){2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]O)(CC3)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.5480	0.000	1	117.5480	0.000	1	116.8653	2.913	3	116.8653	2.913	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:4:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O){2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	114.9230	0.000	1	114.9230	0.000	1	116.8653	2.913	3	116.8653	2.913	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:4:2:	3:3:1:	N[6]-3:C[6]-4:O-1:	O[6]-2:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]O[6]CO)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CHHO)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]O[6]CO)(O){2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]O)(CHHO)(OH){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|O<2>,3|C<3>}	114.4930	0.000	1	114.4930	0.000	1	114.4930	0.000	1	114.4930	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:4:3:	3:3:1:	N[6]-3:C[6]-4:O-1:	O[6]-2:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O){2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(CCH){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|O<2>,3|C<3>}	114.2430	0.000	1	114.2430	0.000	1	114.2430	0.000	1	114.2430	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:4:4:	3:3:1:	N[6]-3:C[6]-4:O-1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CCHH)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O){2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]O)(CCHH)(CH3){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.0000	0.396	2	117.0000	0.157	2	117.0000	0.157	2	117.0000	0.157	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:4:4:	4:3:2:	N[6]-3:C[6]-4:O-1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-3:O-2:	C[6](N[6]C[6,6]O)(C[6]O[6]CC)(O)	C[6](O[6]N[6,6])(C[6]N[6]O)(CH3)2	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(OC)	C[6](N[6]C[6,6]O)(C[6]O[6]CC)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](O[6]N[6,6])(C[6]N[6]O)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>}	115.9390	0.000	1	115.9390	0.000	1	115.9390	0.000	1	115.9390	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:4:4:	4:3:3:	N[6]-3:C[6]-4:O-1:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]O[6]CC)(O)	C[6](O[6]C[6,6])(C[6]N[6]O)(CH3)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]O[6]CC)(O){1|C<4>,2|C<3>,2|H<1>}	C[6](O[6]C[6,6])(C[6]N[6]O)(CH3)2{1|C<4>,1|O<2>,2|C<3>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	117.9245	0.851	2	117.9245	0.724	2	117.9245	0.724	2	117.9245	0.724	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:2:1:1:	3:3:2:	N[6]-3:C[6]-4:O-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6](N[6]C[6a]N[6])(C[6]O[6]HH)(O)	C[6](C[6]N[6]O)(O[6]C[6])(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6]O[6]HH)(O){3|C<3>}	C[6](C[6]N[6]O)(O[6]C[6])(H)2{1|N<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]){1|O<2>,3|C<3>,4|H<1>}	114.8510	0.240	2	114.8510	0.058	2	114.8510	0.058	2	114.8510	0.058	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:2:1:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O)	C[6](C[6]N[6]O)(O[6]C[6])(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]N[6]O)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{2|C<3>,2|O<2>,5|H<1>}	115.5855	0.443	2	115.5855	0.197	2	115.5855	0.197	2	115.5855	0.197	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:2:1:1:	3:4:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O)	C[6](C[6]N[6]O)(O[6]C[6])(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]N[6]O)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|O<2>,2|C<3>,6|H<1>}	117.8583	0.355	3	117.8583	0.126	3	117.8583	0.126	3	117.8583	0.126	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(O)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(O){3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,2|C<3>,3|H<1>}	116.1445	0.278	2	116.1445	0.077	2	116.1445	0.077	2	116.1445	0.077	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:1:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|O<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{3|C<3>,5|H<1>}	117.5420	0.000	1	117.5420	0.000	1	117.5420	0.000	1	116.4375	0.647	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:1:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<3>,1|N<2>,1|N<3>,6|H<1>}	116.2940	0.107	2	116.2940	0.012	2	116.2940	0.012	2	116.4375	0.647	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:1:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	S[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O)	C[6](S[6]C[6,6a]O)(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O){1|O<1>,2|C<3>}	C[6](S[6]C[6,6a]O)(C[6]N[6]O)(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO){1|S<3>,2|C<3>,3|H<1>}	115.6200	0.000	1	115.6200	0.000	1	115.6200	0.000	1	116.4375	0.647	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:1:1:	3:4:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	117.6310	0.000	1	117.6310	0.000	1	117.6310	0.000	1	118.4727	0.477	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:1:1:	3:4:3:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(H)2{1|C<4>,1|O<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	118.7533	0.493	3	118.7533	0.243	3	118.7533	0.243	3	118.4727	0.477	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:1:1:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,5|C<3>,5|H<1>}	118.9340	0.000	1	118.9340	0.000	1	118.9340	0.000	1	118.9365	0.225	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:1:1:	4:3:3:	N[6]-3:C[6]-4:O-1:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]N[6,6]HH)(O)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]O)(H)2	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]N[6,6]HH)(O){1|C<4>,1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]O)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,5|C<3>,5|H<1>}	118.9373	0.581	3	118.9373	0.337	3	118.9373	0.337	3	118.9365	0.225	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:1:1:	4:4:3:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-3:	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(O)	C[6](N[6]C[5,6]C[6])(C[6]N[6]O)(H)2	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(O){3|H<1>,4|C<4>}	C[6](N[6]C[5,6]C[6])(C[6]N[6]O)(H)2{3|H<1>,4|C<4>}	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,4|H<1>,6|C<4>}	121.2880	0.000	1	121.2880	0.000	1	121.2880	0.000	1	121.2880	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:2:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]HO)(O)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(OH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]HO)(O){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(OH)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	117.0720	0.000	1	117.0720	0.000	1	117.0720	0.000	1	117.0720	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:2:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-3:O-2:H-1:	C[5,6]-3:C[6]-3:C-4:	C[6](N[6]C[5,6]C)(C[6]N[6]HO)(O)	C[6](N[6]C[5,6]C)(C[6]N[6]O)(OH)(H)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH)	C[6](N[6]C[5,6]C)(C[6]N[6]HO)(O){1|C<4>,2|C<3>}	C[6](N[6]C[5,6]C)(C[6]N[6]O)(OH)(H){1|C<3>,1|C<4>,1|N<3>}	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	114.6390	0.000	1	114.6390	0.000	1	114.6390	0.000	1	114.6390	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(O)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCS)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(O){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCS)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,2|H<1>,3|C<3>}	117.8580	0.000	1	117.8580	0.000	1	117.8580	0.000	1	117.8580	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:3:1:	4:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:C-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]N[6]CH)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH)(H)	N[6](C[6,6]C[6]3)(C[6]C[6]O)(H)	C[6](N[6]C[6,6]H)(C[6]N[6]CH)(O){1|C<3>,3|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6,6]C[6]3)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	118.1680	0.492	2	118.1680	0.242	2	118.1680	0.242	2	118.1680	0.242	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:3:4:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:N-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(NC[3x6]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(NC[3x6]H)(CH3){3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	119.1930	0.000	1	119.1930	0.000	1	119.1930	0.000	1	119.1930	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(O)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(O){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	115.4110	0.000	1	115.4110	0.000	1	115.4110	0.000	1	115.4110	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:Cl-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]ClC)(O)	C[6](C[6]N[6]O)2(CC[6a]CH)(Cl)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]ClC)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]N[6]O)2(CC[6a]CH)(Cl){3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	116.4095	0.472	2	116.4095	0.222	2	116.4095	0.222	2	115.2834	3.611	8	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(O){1|C<4>,4|C<3>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	116.0300	0.000	1	116.0300	0.000	1	116.0300	0.000	1	115.2834	3.611	8	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]N[5,6]CH)(O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)(H)	N[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]N[5,6]CH)(O){1|C<4>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)(H){1|O<1>,4|C<3>}	N[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	117.8220	0.000	1	117.8220	0.000	1	117.8220	0.000	1	115.2834	3.611	8	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6](N[6]C[6,6a]C)(C[6]N[6]CH)(O)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CC[6a]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]O)	C[6](N[6]C[6,6a]C)(C[6]N[6]CH)(O){3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CC[6a]HH)(H){3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	113.8990	1.618	4	113.8990	2.617	4	113.8990	2.617	4	115.2834	3.611	8	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]CH)(O)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6](N[6]C[6,6a]C)(C[6]N[6]CH)(O){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	113.1680	0.000	1	113.1680	0.000	1	113.1680	0.000	1	113.1680	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:1:	3:4:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	118.0840	0.000	1	118.0840	0.000	1	118.0840	0.000	1	118.0840	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:1:	4:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](N[6]C[4,6]H)(C[6]N[6]CH)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	N[6](C[4,6]C[4,6]C[4]C[6])(C[6]C[6]O)(H)	C[6](N[6]C[4,6]H)(C[6]N[6]CH)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[4,6]C[4,6]C[4]C[6])(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	115.3220	0.000	1	115.3220	0.000	1	115.3220	0.000	1	117.9914	2.632	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:1:	4:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](N[6]C[5,6]H)(C[6]N[6]CH)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6]HH)(H)	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[6](N[6]C[5,6]H)(C[6]N[6]CH)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6]HH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|O<1>,2|C<4>,2|N<3>,5|H<1>}	119.6920	0.000	1	119.6920	0.000	1	118.6587	0.540	4	117.9914	2.632	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:1:	4:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](N[6]C[5,6]H)(C[6]N[6]CH)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[6](N[6]C[5,6]H)(C[6]N[6]CH)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	118.3143	0.314	3	118.3143	0.098	3	118.6587	0.540	4	117.9914	2.632	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:1:	4:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[3,6]-4:C[6]-3:C-4:	C[6](N[6]C[3,6]C)(C[6]N[6]CH)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	N[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC[6a]HH)	C[6](N[6]C[3,6]C)(C[6]N[6]CH)(O){1|C<3>,3|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|O<1>,2|C<4>}	N[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	115.2510	0.000	1	115.2510	0.000	1	115.2510	0.000	1	115.2510	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:2:	3:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(CCHH)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]CO)(O){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(CCHH)(OH){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|O<2>,3|C<3>}	115.9020	0.000	1	115.9020	0.000	1	115.9020	0.000	1	115.9020	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:2:	4:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:C-4:S-2:	C[5,6]-4:C[6]-3:H-1:	C[6](N[6]C[5,6]H)(C[6]N[6]CS)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(SC)	N[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]O)(H)	C[6](N[6]C[5,6]H)(C[6]N[6]CS)(O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(SC){1|C<4>,1|H<1>,1|O<1>}	N[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	116.4020	0.000	1	116.4020	0.000	1	116.4020	0.000	1	116.4020	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:3:	3:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:N-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]CN)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(CCCH)(NCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]CN)(O){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(CCCH)(NCH){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.4775	0.961	2	119.4775	0.923	2	119.4775	0.923	2	119.4775	0.923	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:3:	4:3:1:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-3:C-4:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]N[6]CC)(O)	C[6](N[6]C[6,6]H)(C[6]N[6]O)(CH3)(CNS)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6,6]H)(C[6]N[6]CC)(O){2|C<4>,2|H<1>}	C[6](N[6]C[6,6]H)(C[6]N[6]O)(CH3)(CNS){2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	119.1540	0.000	1	119.1540	0.000	1	119.1540	0.000	1	119.1540	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6]C[6]CC)(O)	C[6](C[6]N[5a,6]O)(C[6]N[6]O)(CC[6a]HH)2	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]O)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]CC)(O){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]N[5a,6]O)(C[6]N[6]O)(CC[6a]HH)2{1|C<3>,1|H<1>,1|N<2>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|N<2>}	119.2720	0.000	1	119.2720	0.000	1	119.2720	0.000	1	119.2720	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:3:2:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-3:C[6]-2:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6]O)2(CH3)2{1|C<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]){4|C<3>,4|C<4>}	117.3420	0.103	2	117.3420	0.011	2	117.3420	0.011	2	117.3420	0.011	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[4,6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[4,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[4,6]O)(C[6]N[6]O)(CH3)2	N[6](C[4,6]N[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[4,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]N[4,6]O)(C[6]N[6]O)(CH3)2{1|P<3>,2|C<3>}	N[6](C[4,6]N[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]O){1|P<3>,3|C<3>,5|C<4>}	120.4275	1.261	2	120.4275	1.590	2	120.4275	1.590	2	116.4762	1.891	57	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2{1|C<4>,2|C<3>}	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O){1|P<3>,3|C<3>,6|C<4>}	115.5680	0.000	1	115.9787	0.258	3	115.9787	0.258	3	116.4762	1.891	57	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2{3|C<3>}	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O){1|P<4>,4|C<3>,5|C<4>}	115.8210	0.000	1	115.9787	0.258	3	115.9787	0.258	3	116.4762	1.891	57	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2{3|C<3>}	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O){5|C<3>,5|C<4>}	116.5470	0.000	1	115.9787	0.258	3	115.9787	0.258	3	116.4762	1.891	57	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[5a,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[5a,6]O)(C[6]N[6]O)(CH3)2	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[5a,6]C[6a])(C[6]C[6]CC)(O){1|O<1>,4|C<3>}	C[6](C[6]C[5a,6]O)(C[6]N[6]O)(CH3)2{1|N<3>,2|C<3>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	117.9310	0.000	1	117.9310	0.000	1	117.9310	0.000	1	116.4762	1.891	57	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	N[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]O){4|C<4>,6|C<3>}	115.6048	1.156	6	115.6048	1.337	6	115.6048	1.337	6	116.4762	1.891	57	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CCHH)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]N[6]O)2(CCHH)(CH3){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O){2|C<4>,3|C<3>,3|H<1>}	118.1000	0.000	1	118.1000	0.000	1	116.4176	1.325	45	116.4762	1.891	57	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<3>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B){4|C<3>,4|C<4>}	115.2328	0.451	6	115.9776	1.378	12	116.4176	1.325	45	116.4762	1.891	57	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B){4|C<3>,4|C<4>}	116.7223	1.223	6	115.9776	1.378	12	116.4176	1.325	45	116.4762	1.891	57	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|C<2>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){4|C<3>,4|C<4>}	117.4890	0.827	7	116.9238	0.738	18	116.4176	1.325	45	116.4762	1.891	57	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<2>,1|O<1>,3|C<3>}	C[6](C[6]N[6]O)2(CH3)2{2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){3|C<3>,4|C<4>}	117.1020	0.000	1	116.9238	0.738	18	116.4176	1.325	45	116.4762	1.891	57	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){4|C<3>,4|C<4>}	116.5104	0.705	10	116.9238	0.738	18	116.4176	1.325	45	116.4762	1.891	57	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]H){4|C<3>,4|C<4>}	114.5505	0.100	2	114.5505	0.010	2	116.4176	1.325	45	116.4762	1.891	57	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O){4|C<3>,4|C<4>}	118.0915	0.029	2	118.0915	0.001	2	116.4176	1.325	45	116.4762	1.891	57	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]P)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,1|P<2>,2|C<3>}	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]P){4|C<3>,4|C<4>}	117.0925	0.914	2	117.0925	0.836	2	116.4176	1.325	45	116.4762	1.891	57	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6a]C[6a]2)(C[6]N[6]Br)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Br<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]Br)(C[6]C[6]O){4|C<3>,4|C<4>}	115.9925	0.053	2	115.9925	0.003	2	116.4176	1.325	45	116.4762	1.891	57	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6a]C[6a]2)(C[6]N[6]Ir)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ir<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]Ir)(C[6]C[6]O){4|C<3>,4|C<4>}	115.2055	0.271	2	115.2780	0.051	4	116.4176	1.325	45	116.4762	1.891	57	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6a]C[6a]2)(C[6]N[6]Ir)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ir<6>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]Ir)(C[6]C[6]O){4|C<3>,4|C<4>}	115.3505	0.240	2	115.2780	0.051	4	116.4176	1.325	45	116.4762	1.891	57	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6a]C[6a]2)(C[6]N[6]Ni)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ni<3>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]Ni)(C[6]C[6]O){4|C<3>,4|C<4>}	115.8840	0.453	2	115.8840	0.205	2	116.4176	1.325	45	116.4762	1.891	57	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]C)(C[6]N[6]O)(CCHH)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]CC)(O){3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]O)(CCHH)(CH3){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	117.3650	0.000	1	117.3650	0.000	1	117.3650	0.000	1	116.3825	1.931	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:S-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]C)(C[6]N[6]O)(CHHN)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]CC)(O){3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]O)(CHHN)(CH3){1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	115.4000	0.000	1	115.4000	0.000	1	115.4000	0.000	1	116.3825	1.931	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:4:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<3>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	119.0130	0.102	2	117.1469	1.348	8	117.4863	1.027	15	117.4863	1.027	15	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:4:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	116.5248	0.166	6	117.1469	1.348	8	117.4863	1.027	15	117.4863	1.027	15	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:4:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]O){4|C<3>,4|C<4>}	118.4690	0.000	1	118.4690	0.000	1	117.4863	1.027	15	117.4863	1.027	15	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:4:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6a]C[6a]2)(C[6]N[6]HN)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HN)(C[6]C[6]O){4|C<3>,4|C<4>}	117.1025	0.070	2	117.1025	0.005	2	117.4863	1.027	15	117.4863	1.027	15	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:4:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6a]C[6a]2)(C[6]N[6]HP)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|H<1>,1|N<3>,1|O<1>,1|P<3>,2|C<3>}	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HP)(C[6]C[6]O){4|C<3>,4|C<4>}	117.7305	0.465	2	117.7305	0.216	2	117.4863	1.027	15	117.4863	1.027	15	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	3:4:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6a]C[6a]2)(C[6]N[6]SS)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|S<2>}	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]SS)(C[6]C[6]O){4|C<3>,4|C<4>}	118.4925	0.626	2	118.4925	0.392	2	117.4863	1.027	15	117.4863	1.027	15	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	4:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](N[6]C[5,6]H)(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CCHH)2	N[6](C[5,6]C[5,6a]2N[6])(C[6]C[6]O)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6]O)2(CCHH)2{1|H<1>,2|C<4>}	N[6](C[5,6]C[5,6a]2N[6])(C[6]C[6]O)(H){3|C<4>,5|C<3>}	118.5230	0.000	1	118.5230	0.000	1	118.5230	0.000	1	118.5230	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[3,6]C[3,5,6]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	N[6](C[3,6]C[3,5,6]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<3>,6|C<4>}	115.9297	0.672	4	115.9297	0.452	4	116.4736	0.488	26	116.8695	1.075	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|C<2>,2|H<1>,4|C<3>,4|C<4>}	117.5065	0.013	2	116.7926	0.405	14	116.4736	0.488	26	116.8695	1.075	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<4>,6|C<3>}	117.2940	0.129	4	116.7926	0.405	14	116.4736	0.488	26	116.8695	1.075	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){3|H<1>,4|C<4>,5|C<3>}	116.8260	0.359	2	116.7926	0.405	14	116.4736	0.488	26	116.8695	1.075	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,4|C<3>,5|C<4>}	116.3570	0.571	2	116.7926	0.405	14	116.4736	0.488	26	116.8695	1.075	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,4|C<4>,5|C<3>}	116.4910	0.257	2	116.7926	0.405	14	116.4736	0.488	26	116.8695	1.075	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<3>,4|C<4>}	115.7795	0.231	2	116.7926	0.405	14	116.4736	0.488	26	116.8695	1.075	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[3,6]C[3]N[3]N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	N[6](C[3,6]C[3]N[3]N[6])(C[6a]C[6a]2)(C[6]C[6]O){4|C<4>,5|C<3>}	115.9335	0.216	2	115.9335	0.047	2	116.4736	0.488	26	116.8695	1.075	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[3,6]C[3]N[6]O[3])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	N[6](C[3,6]C[3]N[6]O[3])(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,4|C<4>,5|C<3>}	116.4755	0.727	4	116.4755	0.529	4	116.4736	0.488	26	116.8695	1.075	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[3,6]C[3]N[6]P[3])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,1|P<2>,3|C<3>}	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	N[6](C[3,6]C[3]N[6]P[3])(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,5|C<4>}	115.8645	0.136	2	115.8645	0.019	2	116.4736	0.488	26	116.8695	1.075	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2	N[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2{1|C<4>,2|C<3>}	N[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O){5|C<3>,6|C<4>}	119.0850	0.000	1	119.0850	0.000	1	117.8702	0.494	5	116.8695	1.075	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<4>,6|C<3>}	117.6390	0.304	2	117.5665	0.044	4	117.8702	0.494	5	116.8695	1.075	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,1|O<1>,4|C<4>,5|C<3>}	117.4940	0.139	2	117.5665	0.044	4	117.8702	0.494	5	116.8695	1.075	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	N[6](C[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|O<1>,4|C<4>,6|C<3>}	119.2480	0.266	2	119.2480	0.071	2	119.2480	0.071	2	116.8695	1.075	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6]B[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|B<3>,2|C<3>}	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	N[6](C[6]B[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,4|C<4>,4|O<2>}	118.3240	0.585	2	118.3240	0.343	2	116.9360	1.188	8	116.8695	1.075	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6]B[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<3>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	N[6](C[6]B[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){2|O<2>,4|C<3>,4|C<4>}	115.9650	0.239	2	115.9650	0.057	2	116.9360	1.188	8	116.8695	1.075	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6]B[6,6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<3>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	N[6](C[6]B[6,6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,6|C<4>}	116.0255	0.087	2	116.0255	0.008	2	116.9360	1.188	8	116.8695	1.075	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	N[6](C[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,4|C<4>}	117.4295	0.162	2	117.4295	0.026	2	116.9360	1.188	8	116.8695	1.075	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	3:3:4:4:	4:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-3:C-4:	C[6](N[6]C[5,6]C)(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CCHH)2	N[6](C[5,6]C[5,6a]2N[6])(C[6]C[6]O)(CH3)	C[6](N[6]C[5,6]C)(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6]O)2(CCHH)2{1|H<1>,2|C<4>}	N[6](C[5,6]C[5,6a]2N[6])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,5|C<3>}	120.2490	0.000	1	120.2490	0.000	1	120.2490	0.000	1	120.2490	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:1:	N[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6]N[5,6]HH)(C[6]N[6]H)(H)2	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]N[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){3|C<4>,4|H<1>}	117.3000	0.000	1	117.3000	0.000	1	117.3000	0.000	1	116.4519	0.568	31	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	118.1400	0.000	1	118.1400	0.000	1	117.0177	0.560	6	116.4519	0.568	31	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	117.0088	0.345	4	117.0088	0.119	4	117.0177	0.560	6	116.4519	0.568	31	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]O)(H)2	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]O)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	115.9310	0.000	1	115.9310	0.000	1	117.0177	0.560	6	116.4519	0.568	31	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,4|H<1>}	116.5800	0.000	1	117.4225	1.420	2	117.4225	1.420	2	116.4519	0.568	31	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|H<1>,4|C<4>}	118.2650	0.000	1	117.4225	1.420	2	117.4225	1.420	2	116.4519	0.568	31	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	115.7070	0.000	1	115.2600	0.400	2	116.1708	0.313	22	116.4519	0.568	31	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	114.8130	0.000	1	115.2600	0.400	2	116.1708	0.313	22	116.4519	0.568	31	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6a]CO)(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CO)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	115.9710	0.000	1	115.9710	0.000	1	116.1708	0.313	22	116.4519	0.568	31	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(H)2{1|H<1>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	116.3940	0.000	1	116.3940	0.000	1	116.1708	0.313	22	116.4519	0.568	31	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	115.8290	0.000	1	115.8290	0.000	1	116.1708	0.313	22	116.4519	0.568	31	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	115.9790	0.000	1	116.2967	0.252	17	116.1708	0.313	22	116.4519	0.568	31	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	116.3166	0.512	16	116.2967	0.252	17	116.1708	0.313	22	116.4519	0.568	31	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:2:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|N<2>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	115.3860	0.000	1	115.3860	0.000	1	115.2257	0.593	3	115.2257	0.593	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:2:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|N<2>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	115.1455	1.071	2	115.1455	1.148	2	115.2257	0.593	3	115.2257	0.593	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]O)(H)2	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(O){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]O)(H)2{1|N<3>,3|C<3>,3|H<1>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	117.8650	0.000	1	117.8650	0.000	1	117.8020	0.008	2	116.5226	2.315	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]N[6]O)(H)2	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(O){1|C<4>,1|O<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	117.7390	0.000	1	117.7390	0.000	1	117.8020	0.008	2	116.5226	2.315	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2{5|C<3>}	N[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,2|H<1>}	114.6860	0.000	1	114.6860	0.000	1	115.3210	0.806	2	116.5226	2.315	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CN[6]O)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CN[6]O){1|C<4>,2|C<3>,3|H<1>}	115.9560	0.000	1	115.9560	0.000	1	115.3210	0.806	2	116.5226	2.315	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|S<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2{5|C<3>}	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	115.1530	0.000	1	115.1530	0.000	1	115.6262	0.317	5	116.5226	2.315	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2{3|C<3>}	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	115.1340	0.000	1	115.1340	0.000	1	115.6262	0.317	5	116.5226	2.315	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	115.8380	0.000	1	115.8380	0.000	1	115.6262	0.317	5	116.5226	2.315	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]O)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	116.0030	0.687	2	116.0030	0.472	2	115.6262	0.317	5	116.5226	2.315	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H)2	N[6](C[6]C[6,6]S)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|S<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H)2{1|C<4>,5|C<3>}	N[6](C[6]C[6,6]S)(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	117.7520	0.000	1	117.7520	0.000	1	117.7520	0.000	1	116.5226	2.315	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]2H)(C[6]N[6]O)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]2H)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,3|C<3>,5|H<1>}	117.0840	0.116	2	117.0840	0.013	2	116.7608	3.035	13	116.5226	2.315	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	116.3050	0.000	1	116.3050	0.000	1	116.7608	3.035	13	116.5226	2.315	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]O)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|H<1>,2|N<2>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{2|C<3>,2|H<1>}	N[6](C[6a]N[6a]2)(C[6]C[6]O)2{1|C<4>,2|C<3>,4|H<1>}	116.1500	0.421	2	116.1500	0.178	2	116.7608	3.035	13	116.5226	2.315	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	117.2705	0.653	2	117.2705	0.426	2	116.7608	3.035	13	116.5226	2.315	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6a]S[6]H)(C[6]N[6]O)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]S[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]N[6]O)(H)2{4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]S[6]N){1|C<4>,2|C<3>,4|H<1>}	119.0947	0.452	3	119.0947	0.204	3	116.7608	3.035	13	116.5226	2.315	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]S){2|C<3>,2|C<4>,4|H<1>}	114.3680	1.027	2	114.3680	1.054	2	116.7608	3.035	13	116.5226	2.315	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]O[6]CH)(C[6]N[6]O)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]O[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]O[6]CH)(C[6]N[6]O)(H)2{2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]O[6]O){1|C<4>,2|C<3>,4|H<1>}	114.5560	0.000	1	114.5560	0.000	1	116.7608	3.035	13	116.5226	2.315	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:F-1:F-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]FF)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(F)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]FF)(O){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(F)2{1|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	115.1850	0.000	1	115.1850	0.000	1	115.1850	0.000	1	117.2685	2.328	8	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]CH)(C[6]N[6]O)(H)2	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]CH)(C[6]N[6]O)(H)2{1|C<3>,3|C<4>}	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH){3|H<1>,4|C<4>}	120.1790	0.000	1	120.1790	0.000	1	120.1790	0.000	1	117.2685	2.328	8	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH)	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	117.0380	0.000	1	117.1183	0.020	3	117.0105	0.060	4	117.2685	2.328	8	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH)	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.1585	0.173	2	117.1183	0.020	3	117.0105	0.060	4	117.2685	2.328	8	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]HH)(C[6]N[6]O)(H)2	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CH3)	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>}	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	116.6870	0.000	1	116.6870	0.000	1	117.0105	0.060	4	117.2685	2.328	8	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	116.1430	0.000	1	116.1430	0.000	1	117.3710	3.016	2	117.2685	2.328	8	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,3|H<1>}	118.5990	0.000	1	118.5990	0.000	1	117.3710	3.016	2	117.2685	2.328	8	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:4:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	118.0205	0.326	2	118.0205	0.106	2	118.1142	0.052	4	118.1142	0.052	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:4:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	118.2940	0.000	1	118.2940	0.000	1	118.1142	0.052	4	118.1142	0.052	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:4:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	118.1220	0.000	1	118.1220	0.000	1	118.1142	0.052	4	118.1142	0.052	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	4:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-3:H-1:	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(H)	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2{1|H<1>,3|C<4>}	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(H){1|C<3>,4|C<4>,6|H<1>}	118.4065	0.521	2	118.6357	0.293	3	118.6357	0.293	3	117.8848	1.397	12	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	4:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-3:H-1:	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(H)	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(H){1|C<3>,3|C<4>,7|H<1>}	119.0940	0.000	1	118.6357	0.293	3	118.6357	0.293	3	117.8848	1.397	12	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	4:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,5,6]-4:C[6]-3:H-1:	C[6](N[6]C[4,5,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[4,6]HH)(C[6]N[6]O)(H)2	N[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]O)(H)	C[6](N[6]C[4,5,6]H)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	N[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	116.2750	0.000	1	116.2750	0.000	1	116.2750	0.000	1	117.8848	1.397	12	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	4:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](N[6]C[4,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[4,6]HH)(C[6]N[6]O)(H)2	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(H)	C[6](N[6]C[4,6]H)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	116.5910	0.000	1	116.5910	0.000	1	116.5910	0.000	1	117.8848	1.397	12	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	4:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	117.9110	0.000	1	117.9110	0.000	1	117.2060	0.994	2	117.8848	1.397	12	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	4:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(H)2	N[6](C[5,6]C[5,6]C[6a]O[5])(C[6]C[6]O)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[5,6]C[5,6]C[6a]O[5])(C[6]C[6]O)(H){1|C<4>,3|H<1>,4|C<3>}	116.5010	0.000	1	116.5010	0.000	1	117.2060	0.994	2	117.8848	1.397	12	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	4:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{1|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){4|C<4>,4|H<1>}	116.2570	0.000	1	116.2570	0.000	1	118.2703	3.045	3	117.8848	1.397	12	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	4:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H){3|C<4>,5|H<1>}	119.2770	0.099	2	119.2770	0.010	2	118.2703	3.045	3	117.8848	1.397	12	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	4:3:1:	N[6]-3:C[6]-4:S-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(S)	C[6](C[6]C[6,6]HH)(C[6]N[6]S)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]S)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(S){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]S)(H)2{2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]S)(H){3|C<4>,5|H<1>}	118.3110	0.089	2	118.3110	0.008	2	118.3110	0.008	2	117.8848	1.397	12	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	4:3:2:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N[6]-2:	C[6](N[6]C[6]N[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6])	C[6](N[6]C[6]N[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|N<2>}	N[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6]){1|C<3>,3|C<4>,6|H<1>}	115.4690	0.000	1	115.4690	0.000	1	115.4690	0.000	1	115.4690	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]O)(H)2	N[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]O)(H)2{1|C<4>,5|C<3>}	N[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	118.0660	0.000	1	118.0660	0.000	1	119.4895	1.196	10	119.3508	1.288	11	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	117.7590	0.000	1	117.7590	0.000	1	119.4895	1.196	10	119.3508	1.288	11	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	119.1773	0.175	3	119.1773	0.031	3	119.4895	1.196	10	119.3508	1.288	11	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|S<2>,3|C<3>,3|H<1>}	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>}	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	120.5132	0.631	4	120.3076	0.510	5	119.4895	1.196	10	119.3508	1.288	11	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|S<3>,3|C<3>,3|H<1>}	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	119.4850	0.000	1	120.3076	0.510	5	119.4895	1.196	10	119.3508	1.288	11	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	4:3:3:	N[6]-3:C[6]-4:O-1:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	C[6](N[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<4>,5|C<3>,5|H<1>}	117.9640	0.000	1	117.9640	0.000	1	117.9640	0.000	1	119.3508	1.288	11	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	4:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-3:C-4:	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(O)	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(CCHH)	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2{1|H<1>,3|C<4>}	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(CCHH){1|C<3>,3|C<4>,7|H<1>}	118.8820	0.000	1	118.8820	0.000	1	118.8820	0.000	1	118.5690	0.196	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	4:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6,6]HH)(C[6]N[6]O)(H)2	N[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6]O)(CC[6a]HH)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[6]O)(H)2{1|C<3>,3|C<4>}	N[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6]O)(CC[6a]HH){2|C<4>,2|H<1>,3|C<3>}	118.2560	0.000	1	118.2560	0.000	1	118.2560	0.000	1	118.5690	0.196	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	4:4:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[5]C[5]2Fe)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(O){1|Fe<10>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	N[6](C[5]C[5]2Fe)(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,6|H<1>}	118.0830	0.000	1	118.0830	0.000	1	118.0830	0.000	1	118.0830	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:2:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-2:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6]C[6]CH)(O)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(CN)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]CH)(O){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(CN)(H){1|H<1>,4|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	114.6850	0.308	2	114.6850	0.095	2	114.6850	0.095	2	114.6850	0.095	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:2:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-2:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[6]CC)(C[6]N[6]O)(CN)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){3|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]N[6]O)(CN)(H){2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	117.7140	0.000	1	117.7140	0.000	1	117.7140	0.000	1	117.7140	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:2:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HO)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(OH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]HO)(O){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(OH)(H){1|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	116.5970	0.000	1	116.5970	0.000	1	116.5970	0.000	1	116.5970	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:3:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:N-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6]C[6]HN)(O)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(NCH)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]HN)(O){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(NCH)(H){1|H<1>,4|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	115.5750	0.000	1	115.5750	0.000	1	115.5750	0.000	1	115.5750	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:3:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]CH)(O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CC[6a]O)(H)	N[6](C[6,6]C[3x6]N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]CH)(O){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CC[6a]O)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[3x6]N[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<2>,2|C<4>,3|H<1>,4|C<3>}	118.4140	0.000	1	118.4140	0.000	1	118.4140	0.000	1	116.4322	1.588	8	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:3:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(CCO)(H)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(CCO)(H){5|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,4|C<3>,5|H<1>}	116.1080	0.000	1	116.1080	0.000	1	115.7770	0.152	3	116.4322	1.588	8	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:3:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(CNO)(H)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(CNO)(H){5|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,4|C<3>,5|H<1>}	115.6115	0.373	2	115.6115	0.139	2	115.7770	0.152	3	116.4322	1.588	8	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:3:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[6]2H)(C[6]N[6]O)(CNO)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]2H)(C[6]N[6]O)(CNO)(H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,3|C<3>,5|H<1>}	117.3875	0.947	2	117.3875	0.896	2	117.3875	0.896	2	116.4322	1.588	8	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:3:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HN)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(NCH)(H)	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HN)(O){1|H<1>,1|S<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(NCH)(H){5|C<3>}	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	116.1830	0.000	1	116.1830	0.000	1	116.1830	0.000	1	116.4322	1.588	8	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:3:1:	3:3:3:	N[6]-3:C[6]-4:S-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(S)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]O)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(S){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]O)(H){5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]S){1|C<4>,3|H<1>,4|C<3>}	114.7550	0.000	1	114.7550	0.000	1	114.7550	0.000	1	116.4322	1.588	8	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:3:1:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CNO)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CNO)(H){1|C<4>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	117.8870	0.000	1	117.8870	0.000	1	117.8870	0.000	1	118.8797	1.281	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:3:1:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(O)	C[6](C[6]S[6]HH)(C[6]N[6]O)(NCH)(H)	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(O){1|S<3>,3|C<3>,3|H<1>}	C[6](C[6]S[6]HH)(C[6]N[6]O)(NCH)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	119.3760	1.041	2	119.3760	1.083	2	119.3760	1.083	2	118.8797	1.281	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:3:3:	3:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-3:N-3:	C[6,6a]-3:C[6]-3:S-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]CN)(O)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(COO)(NCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]CN)(O){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(COO)(NCH){1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	115.5815	0.395	2	115.5815	0.156	2	115.5815	0.156	2	115.5815	0.156	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:1:	3:3:1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]CH)(C[6]N[6]O)(CH3)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]CH)(C[6]N[6]O)(CH3)(H){1|H<1>,2|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	115.0860	0.000	1	115.0860	0.000	1	115.0860	0.000	1	115.0860	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{2|C<3>,3|C<4>,4|H<1>}	118.1665	1.109	2	118.1665	1.231	2	115.3830	5.048	6	115.3830	5.048	6	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CC[6a]HH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(CC[6a]HH)(H){1|C<4>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]S){2|C<3>,3|C<4>,3|H<1>}	113.7295	0.699	2	113.7295	0.489	2	115.3830	5.048	6	115.3830	5.048	6	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CHHS)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(CHHS)(H){3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O){2|C<4>,3|C<3>,3|H<1>}	114.2530	0.057	2	114.2530	0.003	2	115.3830	5.048	6	115.3830	5.048	6	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-3:C[6]-3:C-4:	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(O)	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(CCHH)(H)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CCHH)	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(CCHH)(H){2|C<3>,2|C<4>}	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CCHH){1|C<3>,2|H<1>,4|C<4>}	119.8220	0.000	1	119.8220	0.000	1	119.8220	0.000	1	117.3293	2.162	6	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	115.8930	0.000	1	115.8930	0.000	1	116.3155	0.357	2	117.3293	2.162	6	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(CN[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(O){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(CN[5]HH)(H){1|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	116.7380	0.000	1	116.7380	0.000	1	116.3155	0.357	2	117.3293	2.162	6	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:P-4:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HP)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(PO3)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6a]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HP)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(PO3)(H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6a]HH){1|P<4>,3|C<4>,3|H<1>}	118.3570	0.000	1	118.3570	0.000	1	118.3570	0.000	1	117.3293	2.162	6	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HS)(O)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SCOO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]HS)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SCOO)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|F<1>,1|H<1>,1|S<4>,2|C<3>}	116.6590	0.000	1	116.5830	0.012	2	116.5830	0.012	2	117.3293	2.162	6	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HS)(O)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SCOO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]HS)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SCOO)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	116.5070	0.000	1	116.5830	0.012	2	116.5830	0.012	2	117.3293	2.162	6	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:1:	3:4:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CCHH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]O)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	119.2760	0.000	1	119.2760	0.000	1	118.9860	0.178	5	118.9860	0.178	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:1:	3:4:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	119.3290	0.000	1	119.3290	0.000	1	118.9860	0.178	5	118.9860	0.178	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:1:	3:4:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	118.9500	0.000	1	118.9500	0.000	1	118.9860	0.178	5	118.9860	0.178	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:1:	3:4:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	119.0940	0.000	1	118.6875	0.330	2	118.9860	0.178	5	118.9860	0.178	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:1:	3:4:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	118.2810	0.000	1	118.6875	0.330	2	118.9860	0.178	5	118.9860	0.178	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:1:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CH)(O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]N[6]O)(CH3)(H)	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]N[6]O)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	113.1350	0.000	1	113.1350	0.000	1	113.1350	0.000	1	115.4240	10.479	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:1:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]CH)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]O)(CH3)(H)	N[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]CH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]O)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	117.7130	0.000	1	117.7130	0.000	1	117.7130	0.000	1	115.4240	10.479	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:1:	4:3:4:	N[6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:P-4:H-1:	C[5,6,6]-4:C[6]-3:C-4:	C[6](N[6]C[5,6,6]C)(C[6]C[6,6]HP)(O)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]N[6]O)(PO3)(H)	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]HH)	C[6](N[6]C[5,6,6]C)(C[6]C[6,6]HP)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]N[6]O)(PO3)(H){1|H<1>,2|C<3>,3|C<4>}	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|P<4>,3|C<4>,4|H<1>}	118.6670	0.000	1	118.6670	0.000	1	118.6670	0.000	1	118.6670	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:3:	3:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(CNO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6]C[6]CC)(O){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(CNO){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	116.6530	0.000	1	116.6530	0.000	1	116.6530	0.000	1	116.7210	0.009	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:3:	3:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]CN)(O)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(NOO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6]C[6]CN)(O){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(NOO){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	116.7890	0.000	1	116.7890	0.000	1	116.7890	0.000	1	116.7210	0.009	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:4:	3:3:2:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-3:C[6]-2:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]HH)(C[6]N[6]O)(CH3)2	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]N[6]O)(CH3)2{1|C<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]){3|C<3>,5|C<4>}	116.3560	0.000	1	116.3560	0.000	1	116.3560	0.000	1	116.3560	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:4:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	N[6](C[6a]C[6a]2)(C[6]C[6]Ir)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ir<6>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2{2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]Ir)(C[6]C[6]O){2|C<3>,7|C<4>}	119.3370	0.000	1	119.3370	0.000	1	117.4890	6.830	2	116.4887	6.417	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:4:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]HH)(C[6]N[6]O)(CH3)2	N[6](C[6a]C[6a]2)(C[6]N[6]Ir)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]N[6]O)(CH3)2{3|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]Ir)(C[6]C[6]O){3|C<3>,5|C<4>}	115.6410	0.000	1	115.6410	0.000	1	117.4890	6.830	2	116.4887	6.417	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:4:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-4:	N[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]N[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]N[6])(C[6]C[6]CC)(O){2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	114.4880	0.000	1	114.4880	0.000	1	114.4880	0.000	1	116.4887	6.417	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:4:	3:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:S-4:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]CS)(O)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(SCOO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]CS)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(SCOO){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	118.2190	0.000	1	118.2190	0.000	1	118.2190	0.000	1	118.2190	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:4:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	N[6](C[3,6]C[3]2C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2{1|C<3>,3|C<4>}	N[6](C[3,6]C[3]2C[6])(C[6a]C[6a]2)(C[6]C[6]O){3|C<3>,8|C<4>}	119.6490	0.000	1	119.6490	0.000	1	119.6490	0.000	1	119.9575	0.190	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:4:4:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	N[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2{1|C<3>,3|C<4>}	N[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O){2|C<3>,7|C<4>}	120.2660	0.000	1	120.2660	0.000	1	120.2660	0.000	1	119.9575	0.190	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:2:	4:3:3:1:	3:3:3:	N[6]-3:C[6]-4:N-2:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(NH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(NH){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO)(H){5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<4>,3|H<1>,4|C<3>}	116.4420	0.000	1	116.4420	0.000	1	116.4420	0.000	1	116.4420	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:3:	2:3:1:1:	3:3:1:	N[6]-3:C[6]-4:C-3:	S[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(CC[5a]C)	C[6](S[6]C[6,6a])(C[6]N[6]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(CC[5a]C){2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]C)(H)2{1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|S<2>,2|C<3>,3|H<1>}	114.8790	0.000	1	114.8790	0.000	1	114.8790	0.000	1	114.8790	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:3:	3:2:1:1:	3:3:3:	N[6]-3:C[6]-4:C-3:	C[6]-3:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CHH)	C[6](C[6]N[6]C)(O[6]C[6])(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CHH){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]N[6]C)(O[6]C[6])(H)2{1|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	113.5520	0.000	1	113.5520	0.000	1	113.5520	0.000	1	113.5520	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:3:	3:3:1:1:	3:3:4:	N[6]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6](N[6]C[6,6a]S)(C[6]N[6]HH)(CC[6a]H)	C[6](N[6]C[6,6a]S)(C[6]N[6]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]N[6]HH)(CC[6a]H){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]N[6]C)(H)2{1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO){1|N<3>,2|C<3>,3|H<1>}	113.4416	0.266	5	113.4416	0.071	5	113.4416	0.071	5	113.4416	0.071	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:3:	3:3:3:1:	3:3:3:	N[6]-3:C[6]-4:C-3:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(CCH)	C[6](C[6]N[6]C)(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(CCH){1|S<4>,4|C<3>}	C[6](C[6]N[6]C)(N[6]C[6]S)(CCH)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,4|H<1>,5|C<3>}	118.3440	0.000	1	118.3440	0.000	1	118.3440	0.000	1	118.3440	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:3:	4:3:1:1:	3:3:3:	N[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CHH)	C[6](C[6]C[6]CC)(C[6]N[6]C)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CHH){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]N[6]C)(H)2{1|C<2>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	114.9600	0.000	1	114.9600	0.000	1	114.9600	0.000	1	114.9600	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:3:	4:3:3:1:	3:3:2:	N[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-3:Ge[6]-2:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]CH)(CHH)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCN)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]O[6])	C[6](N[6]C[6a]Ge[6])(C[6]C[6]CH)(CHH){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCN)(H){1|Ge<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]O[6]){1|H<1>,3|C<3>,3|C<4>}	114.0780	0.000	1	114.0780	0.000	1	114.0780	0.000	1	114.0780	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:4:	3:3:1:1:	3:3:3:	N[6]-3:C[6]-4:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]HH)(CH3)	C[6](C[6]N[6]C)2(H)2	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]N[6]C)2(H)2{1|Ge<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C){2|C<4>,2|H<1>,4|C<3>}	123.7502	1.169	4	123.7502	1.366	4	123.7502	1.366	4	123.7502	1.366	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:4:4:	4:3:1:1:	4:4:3:	N[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	In[6]-4:C[6]-4:C[6]-3:	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6]O[6]CC)(C[6]N[6]C)(H)2	N[6](In[6]O[6]CO)(C[6]C[6]2H)(C[6]C[6]C)	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(CH3){1|H<1>,2|O<2>,5|C<4>}	C[6](C[6]O[6]CC)(C[6]N[6]C)(H)2{1|In<4>,1|C<4>}	N[6](In[6]O[6]CO)(C[6]C[6]2H)(C[6]C[6]C){1|N<2>,3|C<4>,5|H<1>}	116.7170	0.000	1	116.7170	0.000	1	116.7170	0.000	1	116.7170	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	2:3:1:1:	4:3:3:	C[6]-4:N[6]-3:O-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]O[6]HH)(N[6]C[6]C)(O)	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(O){1|C<4>,2|H<1>}	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	N[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCO){1|C<3>,2|H<1>,2|O<2>}	114.2750	0.513	2	114.2750	0.264	2	114.2750	0.264	2	114.2750	0.264	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:2:1:1:	3:2:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]O[6]HH)(N[6]N[6]H)(O)	C[6](C[6]N[6]O)(O[6]C[6])(H)2	N[6](C[6]C[6]O)(N[6]C[6])(H)	C[6](C[6]O[6]HH)(N[6]N[6]H)(O){1|C<3>}	C[6](C[6]N[6]O)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]O)(N[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>}	117.3930	0.000	1	117.3930	0.000	1	117.3930	0.000	1	117.3930	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:2:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(O[6]N[6])(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]O)(H)	C[6](C[6]O[6]HH)(N[6]C[6]H)(O){1|C<3>,1|N<2>}	C[6](C[6]N[6]O)(O[6]N[6])(H)2{1|C<3>,1|H<1>}	N[6](C[6]C[6a]N[6])(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|H<1>}	112.9590	0.000	1	112.9590	0.000	1	112.9590	0.000	1	112.9590	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:2:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6])(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6]N[6]O)(N[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	118.7700	0.588	2	118.7700	0.346	2	118.7700	0.346	2	117.8410	2.762	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:2:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(O[6]C[6])(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]O[6]HH)(N[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]N[6]O)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|H<1>}	115.9830	0.000	1	115.9830	0.000	1	115.9830	0.000	1	117.8410	2.762	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:2:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]S[6]HH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(S[6]C[6])(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]S[6]HH)(N[6]C[6]C)(O){1|H<1>,2|C<4>}	C[6](C[6]N[6]O)(S[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|S<2>,3|H<1>}	117.6000	0.000	1	117.6000	0.000	1	117.6000	0.000	1	117.6000	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:2:3:4:	3:3:3:	C[6]-4:N[6]-3:O-1:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-3:	C[6](C[6]C[6a]O[6]C)(N[6]C[6,6a]C)(O)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]O)(CC[6a]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)	C[6](C[6]C[6a]O[6]C)(N[6]C[6,6a]C)(O){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]O)(CC[6a]HH){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	116.1100	0.000	1	116.1100	0.000	1	116.1100	0.000	1	116.1100	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:2:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	115.2970	0.000	1	115.2970	0.000	1	114.7160	0.734	5	114.7160	0.734	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:2:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(O[6]C[6])(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	114.9263	0.705	3	114.9263	0.498	3	114.7160	0.734	5	114.7160	0.734	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:2:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(O[6]P[6])(CH3)(H)	N[6](C[6]P[6]CH)(C[6]C[6]O)(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]N[6]O)(O[6]P[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]P[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	113.5040	0.000	1	113.5040	0.000	1	114.7160	0.734	5	114.7160	0.734	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:2:4:1:	4:3:2:	C[6]-4:N[6]-3:O-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]O[6]CH)(N[6]C[6]O)(O)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	C[6](C[6]O[6]CH)(N[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|N<2>,1|O<2>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	117.1280	0.000	1	117.1280	0.000	1	117.1280	0.000	1	117.1280	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	2:3:1:	C[6]-4:N[6]-3:O-1:	N[5,6]-3:C[6]-3:H-1:H-1:	N[6]-2:C[6]-3:H-1:	C[6](C[6]N[5,6]HH)(N[6]N[6]H)(O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(H)2	N[6](N[6]C[5,6])(C[6]C[6]O)(H)	C[6](C[6]N[5,6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	N[6](N[6]C[5,6])(C[6]C[6]O)(H){2|H<1>,2|N<3>}	117.3720	0.000	1	117.3720	0.000	1	117.3720	0.000	1	117.3720	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H)2	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){2|C<3>,2|H<1>}	118.9400	0.072	2	118.9400	0.005	2	118.9400	0.005	2	116.4583	1.535	98	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br2)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(Br)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]Br2)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(Br)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|Br<1>,1|C<3>,1|H<1>}	114.5536	0.669	10	114.5536	0.448	10	114.5536	0.448	10	116.4583	1.535	98	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(Cl)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(Cl)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|Cl<1>,1|C<3>,1|H<1>}	114.8677	0.633	16	114.8677	0.401	16	114.8677	0.401	16	116.4583	1.535	98	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(H)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,3|H<1>}	117.0018	0.453	65	117.0018	0.205	65	117.0018	0.205	65	116.4583	1.535	98	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){3|C<3>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	117.3495	2.040	2	117.3495	4.162	2	116.6787	2.060	4	116.4583	1.535	98	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]O)2(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|O<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	N[6](C[6]C[6]O)2(H){1|N<3>,4|H<1>}	116.0080	0.467	2	116.0080	0.218	2	116.6787	2.060	4	116.4583	1.535	98	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	N[5a,6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]HH)(N[6]N[6]H)(O)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H)2	N[6](N[6]C[5a,6]C)(C[6]C[6]O)(H)	C[6](C[6]N[5a,6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>,1|N<2>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H)2{1|H<1>,1|N<3>,2|N<2>}	N[6](N[6]C[5a,6]C)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|H<1>}	119.7840	0.000	1	119.7840	0.000	1	119.7840	0.000	1	116.4583	1.535	98	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	3:3:2:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC){2|C<3>,2|H<1>}	115.7077	0.099	3	115.7077	0.010	3	116.1612	0.829	4	116.1612	0.829	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	3:3:2:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OH){2|C<3>,2|H<1>}	117.5220	0.000	1	117.5220	0.000	1	116.1612	0.829	4	116.1612	0.829	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	3:3:3:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(O){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O){1|Br<1>,3|H<1>,4|C<3>}	117.9790	0.000	1	117.8220	0.049	2	117.8220	0.049	2	117.8220	0.049	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	3:3:3:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(O){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O){1|Cl<1>,3|H<1>,4|C<3>}	117.6650	0.000	1	117.8220	0.049	2	117.8220	0.049	2	117.8220	0.049	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	N[6](C[6]C[6,6a]N)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(O){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]N)(C[6]C[6]O)(CH3){2|C<3>,2|H<1>}	116.5220	0.000	1	116.5220	0.000	1	118.1130	1.165	4	117.1475	1.370	13	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]HH){2|C<3>,2|H<1>}	118.6433	0.245	3	118.6433	0.060	3	118.1130	1.165	4	117.1475	1.370	13	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,1|S<4>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|H<1>}	114.8170	0.000	1	114.8170	0.000	1	114.8170	0.000	1	117.1475	1.370	13	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(H)2	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(H)2{1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	116.9560	0.706	8	116.9560	0.499	8	116.9560	0.499	8	117.1475	1.370	13	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6]O)(C[6]N[6]O)(H)2	N[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	118.7710	0.000	1	118.7710	0.000	1	117.7273	1.599	3	118.8560	0.678	31	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6]O)(C[6]N[6]O)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,4|H<1>}	117.2055	1.251	2	117.2055	1.565	2	117.7273	1.599	3	118.8560	0.678	31	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	117.8500	0.000	1	117.8500	0.000	1	118.9570	0.456	26	118.8560	0.678	31	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|N<3>,3|H<1>}	119.0590	0.000	1	119.0590	0.000	1	118.9570	0.456	26	118.8560	0.678	31	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	117.4930	0.000	1	117.4930	0.000	1	118.9570	0.456	26	118.8560	0.678	31	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,3|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	119.1198	0.543	22	119.1198	0.295	22	118.9570	0.456	26	118.8560	0.678	31	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2{1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	117.8450	0.000	1	117.8450	0.000	1	118.9570	0.456	26	118.8560	0.678	31	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[5a,6]HH)(N[6]C[6]H)(O)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]O)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[5a,6]HH)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|H<1>}	119.2360	1.170	2	119.2360	1.368	2	119.2360	1.368	2	118.8560	0.678	31	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:3:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-3:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO){2|H<1>,4|C<3>}	117.4497	0.516	3	117.4497	0.267	3	117.4497	0.267	3	117.1832	0.279	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:3:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]N[6]HH)(N[6]C[6]N)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH)	C[6](C[6]N[6]HH)(N[6]C[6]N)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH){1|N<3>,1|O<1>,2|H<1>}	116.6260	0.000	1	116.6260	0.000	1	116.7835	0.050	2	117.1832	0.279	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:3:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]N[6]HH)(N[6]C[6]N)(O)	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH)	C[6](C[6]N[6]HH)(N[6]C[6]N)(O){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2{1|C<4>,1|N<3>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH){1|N<3>,1|O<1>,2|H<1>}	116.9410	0.000	1	116.9410	0.000	1	116.7835	0.050	2	117.1832	0.279	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|H<1>}	115.6370	0.000	1	115.6370	0.000	1	115.6370	0.000	1	118.0799	2.820	28	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,1|O<1>,2|H<1>}	119.0290	0.000	1	117.6505	3.801	2	118.3114	2.124	22	118.0799	2.820	28	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,1|O<1>,2|H<1>}	116.2720	0.000	1	117.6505	3.801	2	118.3114	2.124	22	118.0799	2.820	28	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,2|H<1>}	117.0320	0.000	1	117.0320	0.000	1	118.3114	2.124	22	118.0799	2.820	28	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	117.9428	1.481	11	117.9428	2.195	11	118.3114	2.124	22	118.0799	2.820	28	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,1|O<1>,2|H<1>}	119.4290	0.000	1	119.4290	0.000	1	118.3114	2.124	22	118.0799	2.820	28	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,2|H<1>}	118.2560	0.083	2	118.2560	0.007	2	118.3114	2.124	22	118.0799	2.820	28	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CSiHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CSiHH){1|N<3>,1|O<1>,2|H<1>}	121.2420	0.000	1	121.2420	0.000	1	118.3114	2.124	22	118.0799	2.820	28	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH){1|N<3>,3|C<3>,3|H<1>}	119.6980	0.000	1	119.6980	0.000	1	118.3114	2.124	22	118.0799	2.820	28	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2{4|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,2|C<4>,2|H<1>}	117.5480	0.000	1	117.5480	0.000	1	118.3114	2.124	22	118.0799	2.820	28	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2{1|O<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	118.9670	0.000	1	118.9670	0.000	1	118.3114	2.124	22	118.0799	2.820	28	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]N[6]O)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|N<3>,3|C<3>,3|H<1>}	119.7510	0.000	1	119.7510	0.000	1	118.3114	2.124	22	118.0799	2.820	28	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:S[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]S[6]HH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(S[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]S[6]HH)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	C[6](C[6]N[6]O)(S[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|S<3>,4|H<1>}	114.3010	0.000	1	114.3010	0.000	1	114.3010	0.000	1	118.0799	2.820	28	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6,6]HH)(N[6]C[6]C)(O)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]O)(H)2	N[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6,6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(CCHH){1|N<3>,3|C<3>,3|H<1>}	119.4770	0.000	1	119.4770	0.000	1	119.4770	0.000	1	118.0799	2.820	28	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Si-4:	C[6](C[6]N[6]HH)(N[6]C[6]Si)(O)	C[6](N[6]C[6]Si)(C[6]N[6]O)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(SiC3)	C[6](C[6]N[6]HH)(N[6]C[6]Si)(O){1|Si<4>,1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]N[6]O)(H)2{1|Si<4>,1|C<4>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(SiC3){1|N<3>,1|O<1>,2|H<1>}	117.9903	2.017	3	117.9903	4.070	3	117.9903	4.070	3	118.0799	2.820	28	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:2:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HN)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(NN)(H)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]HN)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(NN)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<2>,2|H<1>}	115.6960	1.397	2	115.6960	1.952	2	115.6960	1.952	2	115.6960	1.952	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:2:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6a]-3:C[6]-3:S[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(S[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(O){1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(S[6]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	116.7690	0.000	1	116.7690	0.000	1	116.7690	0.000	1	116.7690	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:2:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:S-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]HS)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(SC)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6,6a]HS)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(SC)(H){1|O<2>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|S<2>,2|C<3>}	117.9685	0.139	2	117.9685	0.019	2	117.9685	0.019	2	117.9702	0.007	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:2:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CN)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CN)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<2>,1|H<1>,1|N<3>,1|O<1>}	117.9620	0.000	1	117.9620	0.000	1	117.9620	0.000	1	117.9702	0.007	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:2:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HO)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(OC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]HO)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(OC)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	117.9820	0.000	1	117.9820	0.000	1	117.9820	0.000	1	117.9702	0.007	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:2:2:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OO)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(OH)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]OO)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(OH)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|O<2>}	117.0607	0.922	4	117.0607	0.850	4	117.0607	0.850	4	117.0607	0.850	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:2:4:	3:3:3:	C[6]-4:N[6]-3:O-1:	C[6a]-3:C[6]-3:O[6]-2:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(O){1|C<4>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3){4|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	117.5010	0.000	1	117.5010	0.000	1	117.5010	0.000	1	117.5010	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:2:4:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6a]-3:C[6]-3:O[6]-2:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]O[6]C)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6a]O[6]C)(N[6]C[6]C)(O){1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	117.4650	0.042	2	117.4650	0.002	2	117.4650	0.002	2	117.4650	0.002	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:1:	3:2:1:	C[6]-4:N[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6]O)(N[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(O){1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H){1|N<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6]O)(N[6]C[6])(H){1|H<1>,1|N<3>,2|C<3>}	115.8077	0.323	4	115.8077	0.104	4	115.8077	0.104	4	115.8077	0.104	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[5a]-3:N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6]H)(N[6]C[6,6a]H)(O)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]C)(C[6]N[6]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](C[6]C[5a]N[6]H)(N[6]C[6,6a]H)(O){1|C<4>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]C)(C[6]N[6]O)(H){1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,2|H<1>,3|C<3>}	117.2712	0.413	4	117.2712	0.170	4	117.2712	0.170	4	117.2712	0.170	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[5a]-3:N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5a]N[6]H)(N[6]C[6,6]H)(O)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]H)(C[6]N[6]O)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5a]N[6]H)(N[6]C[6,6]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]H)(C[6]N[6]O)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	117.7270	0.000	1	117.7270	0.000	1	117.7270	0.000	1	118.8193	0.912	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	119.4980	0.000	1	119.4980	0.000	1	119.4980	0.000	1	118.8193	0.912	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]H)(O)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]N[6]O)(H)	N[6](C[6,6]C[5a,6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]H)(O){1|N<2>,2|C<4>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	N[6](C[6,6]C[5a,6]C[6]2)(C[6]C[6]O)(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,5|H<1>}	119.2330	0.000	1	119.2330	0.000	1	119.2330	0.000	1	118.8193	0.912	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:1:	4:3:3:	C[6]-4:N[6]-3:O-1:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]2)(O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O)(H)	N[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]2)(O){1|H<1>,2|C<4>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	N[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	114.8790	0.000	1	114.8790	0.000	1	114.8790	0.000	1	114.8790	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(CCH)(H)	N[6](C[6]C[4]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(CCH)(H){1|H<1>,2|C<4>}	N[6](C[6]C[4]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,2|H<1>,3|C<3>}	117.8480	0.000	1	117.8480	0.000	1	117.8480	0.000	1	116.8140	3.626	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCO)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	114.9520	0.000	1	114.9520	0.000	1	115.2240	0.148	2	116.8140	3.626	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	115.4960	0.000	1	115.4960	0.000	1	115.2240	0.148	2	116.8140	3.626	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|N<3>,3|C<3>,3|H<1>}	118.9600	0.000	1	118.9600	0.000	1	118.9600	0.000	1	116.8140	3.626	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:2:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]O)(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(OH)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(OH){1|O<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,1|O<2>,2|C<3>}	116.8390	0.704	4	116.8390	0.495	4	116.8390	0.495	4	116.8390	0.495	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:2:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2O)(N[6]C[6]C)(O)	C[6](C[6]C[6]2)(C[6]N[6]O)2(OH)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]2O)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6]2)(C[6]N[6]O)2(OH){1|C<3>,2|C<4>,2|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	117.9345	0.165	2	117.9345	0.027	2	117.9345	0.027	2	117.9345	0.027	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:2:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-3:S-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CS)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(SC)	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]CS)(N[6]C[6]C)(O){1|C<4>,1|S<2>,2|C<3>}	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(SC){1|O<1>,2|C<4>}	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	119.0340	0.000	1	119.0340	0.000	1	119.0340	0.000	1	119.0340	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:3:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CN)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CCN)(NHO)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CN)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CCN)(NHO){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	116.6450	0.925	4	116.6450	0.855	4	116.6450	0.855	4	116.6450	0.855	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:3:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6,6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]C[6a]2)(N[6]C[5,6,6]H)(O)	C[6](C[6,6]N[5,6,6]C[6])(C[6a]C[6a]2)2(C[6]N[6]O)	N[6](C[5,6,6]N[5,6,6]C[5,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]C[6a]2)(N[6]C[5,6,6]H)(O){1|C<4>,1|N<3>,6|C<3>}	C[6](C[6,6]N[5,6,6]C[6])(C[6a]C[6a]2)2(C[6]N[6]O){1|C<4>,6|C<3>,6|H<1>}	N[6](C[5,6,6]N[5,6,6]C[5,6]C[6])(C[6]C[6]O)(H){1|C<4>,2|H<1>,6|C<3>}	116.7840	0.000	1	116.7840	0.000	1	116.7840	0.000	1	116.7840	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2C)(N[6]C[6]H)(O)	C[6](C[6]C[6]2)(C[6]N[6]O)2(CH3)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]2C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6](C[6]C[6]2)(C[6]N[6]O)2(CH3){1|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<3>,2|C<4>}	115.5450	0.000	1	115.5450	0.000	1	115.5450	0.000	1	117.4280	1.208	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(N[6]C[6]2)(CCHH)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O){1|N<2>,2|C<4>,2|O<1>}	C[6](C[6]N[6]O)2(N[6]C[6]2)(CCHH){1|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	116.8390	0.000	1	118.1186	0.464	7	118.1186	0.464	7	117.4280	1.208	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(N[6]C[6]2)(CCHH)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O){1|N<3>,2|C<4>,2|O<1>}	C[6](C[6]N[6]O)2(N[6]C[6]2)(CCHH){1|C<3>,2|C<4>,6|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.3318	0.419	6	118.1186	0.464	7	118.1186	0.464	7	117.4280	1.208	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<3>,2|C<4>}	116.0580	0.000	1	117.6170	0.694	21	117.5526	0.752	22	117.4280	1.208	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH){3|C<3>,4|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	117.6949	0.772	20	117.6170	0.694	21	117.5526	0.752	22	117.4280	1.208	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){2|C<3>,2|C<4>}	116.2000	0.000	1	116.2000	0.000	1	117.5526	0.752	22	117.4280	1.208	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:4:	3:3:1:	C[6]-4:N[6]-3:S-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH)	N[6](C[6]C[6]S)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6]S)(C[6]N[6]O)(H){2|C<3>,2|C<4>}	114.4400	0.000	1	114.4400	0.000	1	115.5310	1.034	3	117.4280	1.208	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:4:	3:3:1:	C[6]-4:N[6]-3:S-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH)	N[6](C[6]C[6]S)(C[6]N[6]S)(H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6]S)(C[6]N[6]S)(H){2|C<3>,2|C<4>}	116.4530	0.000	1	116.4530	0.000	1	115.5310	1.034	3	117.4280	1.208	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:4:	3:3:1:	C[6]-4:N[6]-3:S-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CCHH)	N[6](C[6]C[6]S)(C[6]N[6]S)(H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S){1|N<3>,2|C<3>,2|S<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6]S)(C[6]N[6]S)(H){2|C<3>,2|C<4>}	115.7000	0.000	1	115.7000	0.000	1	115.5310	1.034	3	117.4280	1.208	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:4:	3:3:2:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CH3)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(O){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CH3){1|O<2>,3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC){1|C<4>,3|C<3>}	117.3970	0.000	1	117.3970	0.000	1	117.3970	0.000	1	117.3970	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:4:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6,6a]C)(O)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CCHH)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6,6a]C)(O){1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CCHH){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	118.4000	0.000	1	118.4000	0.000	1	118.4000	0.000	1	116.6558	4.646	11	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:4:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2C)(N[6]C[6]C)(O)	C[6](C[6]C[6]2)(C[6]N[6]O)2(CH3)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]2C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6](C[6]C[6]2)(C[6]N[6]O)2(CH3){1|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	117.7440	0.000	1	117.7440	0.000	1	117.7440	0.000	1	116.6558	4.646	11	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:4:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	118.7560	0.000	1	118.7560	0.000	1	118.4248	1.249	4	116.6558	4.646	11	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:4:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH)	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|S<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	119.7110	0.000	1	119.7110	0.000	1	118.4248	1.249	4	116.6558	4.646	11	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:4:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	118.1970	0.000	1	118.1970	0.000	1	118.4248	1.249	4	116.6558	4.646	11	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:4:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH)	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	117.0350	0.000	1	117.0350	0.000	1	118.4248	1.249	4	116.6558	4.646	11	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:4:	3:3:4:	C[6]-4:N[6]-3:S-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CCHH)	N[6](C[6]C[6]S)(C[6]N[6]S)(CH3)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S){1|N<3>,2|C<3>,2|S<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6]S)(C[6]N[6]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	116.8100	0.000	1	116.8100	0.000	1	114.6742	1.585	5	116.6558	4.646	11	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:3:4:	3:3:4:	C[6]-4:N[6]-3:S-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CH3)	N[6](C[6]C[6]S)(C[6]N[6]S)(CH3)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S){1|N<3>,2|C<3>,2|S<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CH3){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]S)(C[6]N[6]S)(CH3){2|C<3>,2|C<4>}	114.1402	0.461	4	114.1402	0.212	4	114.6742	1.585	5	116.6558	4.646	11	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	3:2:1:	C[6]-4:N[6]-3:O-1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]CH)(N[6]N[6]H)(O)	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H)	N[6](C[6]C[6]O)(N[6]C[6])(H)	C[6](C[6]N[6]CH)(N[6]N[6]H)(O){2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6]O)(N[6]C[6])(H){1|C<4>,1|N<3>,2|H<1>}	118.3210	0.000	1	118.3210	0.000	1	118.3210	0.000	1	118.3210	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|H<1>}	115.2790	0.000	1	115.2790	0.000	1	117.4053	3.535	3	116.2057	3.402	6	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.4685	0.537	2	118.4685	0.288	2	117.4053	3.535	3	116.2057	3.402	6	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]CH)(N[6]N[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]O)(N[6]C[6]C)(H)	C[6](C[6]N[6]CH)(N[6]N[6]H)(O){1|C<3>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	115.9340	0.000	1	115.9340	0.000	1	115.9340	0.000	1	116.2057	3.402	6	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	N[6,6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]CH)(N[6]C[6]H)(O)	C[6](N[6,6]C[5,6,6]C[6,6])(C[6]N[6]O)(CC[6a]HH)(H)	N[6](C[6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6]N[6,6]CH)(N[6]C[6]H)(O){1|C<3>,2|C<4>}	C[6](N[6,6]C[5,6,6]C[6,6])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<2>}	N[6](C[6]C[6,6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	114.6150	0.000	1	114.6150	0.000	1	114.6150	0.000	1	116.2057	3.402	6	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H)	N[6](C[6]C[6,6a]C)(C[6]C[6]O)(H)	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){3|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	114.4690	0.000	1	114.4690	0.000	1	114.4690	0.000	1	116.2057	3.402	6	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	3:3:3:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]CH)(N[6]N[6]C)(O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]O)(CCHH)(H)	N[6](N[6]C[6,6a]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6a]CH)(N[6]N[6]C)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]O)(CCHH)(H){1|N<3>,4|C<3>}	N[6](N[6]C[6,6a]H)(C[6]C[6]O)(COO){1|C<4>,1|H<1>,2|C<3>}	114.9820	0.000	1	114.9820	0.000	1	114.9820	0.000	1	114.1910	1.251	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	3:3:3:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C-3:	C[6](C[6]N[6]CH)(N[6]N[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]O)(N[6]C[6]C)(CCH)	C[6](C[6]N[6]CH)(N[6]N[6]C)(O){1|C<3>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(N[6]C[6]C)(CCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	113.4000	0.000	1	113.4000	0.000	1	113.4000	0.000	1	114.1910	1.251	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]CO)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCCN)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6a]CO)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCCN)(O){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	118.6640	0.000	1	118.6640	0.000	1	118.6640	0.000	1	116.9768	1.835	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[6]CH)(H)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CC[6]CH)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	117.0650	0.839	4	117.0650	0.703	4	117.1568	0.408	10	116.9768	1.835	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[6a]CH)(H)	N[6](C[6]C[6]O)(C[6]N[6]O)(CC3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CC[6a]CH)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CC3){1|C<3>,1|H<1>,2|C<4>}	117.5005	0.276	2	117.5005	0.076	2	117.1568	0.408	10	116.9768	1.835	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[6a]CH)(H)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CC[6a]CH)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	116.6630	0.687	2	116.6630	0.472	2	117.1568	0.408	10	116.9768	1.835	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[6a]HH)(H)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CC[6a]HH)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	117.4905	0.172	2	117.4905	0.030	2	117.1568	0.408	10	116.9768	1.835	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<4>,2|C<3>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	116.5860	0.000	1	116.5860	0.000	1	116.5210	1.653	9	116.9768	1.835	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(CCCH)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|H<1>,2|C<3>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CCCH){1|C<4>,1|N<3>,2|H<1>}	115.0940	0.000	1	115.0940	0.000	1	116.5210	1.653	9	116.9768	1.835	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|H<1>,2|C<3>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	114.4900	0.000	1	114.4900	0.000	1	116.5210	1.653	9	116.9768	1.835	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]O)2(CC[6a]HH)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	116.1435	0.245	2	116.1435	0.060	2	116.5210	1.653	9	116.9768	1.835	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]CH)(H)	N[6](C[6]C[6]O)2(CC[6a]HH)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]CH)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	117.2637	0.829	3	117.2637	0.687	3	116.5210	1.653	9	116.9768	1.835	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<4>,2|C<3>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.4410	0.000	1	118.4410	0.000	1	116.5210	1.653	9	116.9768	1.835	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]N[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]O)(N[6]C[6]C)(CCHO)	C[6](C[6]N[6]CH)(N[6]N[6]C)(O){1|C<3>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(N[6]C[6]C)(CCHO){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	113.7480	0.000	1	113.7480	0.000	1	113.7480	0.000	1	116.9768	1.835	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[5,6]CH)(N[6]C[6]C)(O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CCCH)(H)	N[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[5,6]CH)(N[6]C[6]C)(O){1|C<4>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CCCH)(H){1|C<4>,1|O<1>,3|C<3>}	N[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	119.4570	0.000	1	119.4570	0.000	1	119.4570	0.000	1	116.9768	1.835	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6,6a]CH)(N[6]C[6]C)(O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	C[6](C[6]N[6,6a]CH)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	118.3410	0.000	1	118.3410	0.000	1	118.3410	0.000	1	116.9768	1.835	23	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]CH)(N[6]C[5,6]H)(O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(CCHH)(H)	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[5,6]H)(O){2|C<3>,2|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.4640	0.136	3	120.4640	0.018	3	120.4640	0.018	3	117.9788	2.063	39	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.2250	0.404	3	118.2250	0.163	3	118.0849	0.913	28	117.9788	2.063	39	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.8160	0.502	3	118.8160	0.252	3	118.0849	0.913	28	117.9788	2.063	39	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CHHO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	117.8800	0.000	1	117.8800	0.000	1	118.0849	0.913	28	117.9788	2.063	39	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.7850	0.049	2	118.7850	0.002	2	118.0849	0.913	28	117.9788	2.063	39	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	117.0267	1.306	6	117.0267	1.706	6	118.0849	0.913	28	117.9788	2.063	39	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5]HH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	117.9470	0.140	2	117.9470	0.020	2	118.0849	0.913	28	117.9788	2.063	39	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.9280	0.000	1	118.9280	0.000	1	118.0849	0.913	28	117.9788	2.063	39	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]2H)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]2H)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.1690	0.212	2	118.1690	0.045	2	118.0849	0.913	28	117.9788	2.063	39	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	119.0850	0.219	2	119.0850	0.048	2	118.0849	0.913	28	117.9788	2.063	39	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.0193	0.413	3	118.0193	0.171	3	118.0849	0.913	28	117.9788	2.063	39	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){2|C<3>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.2660	0.000	1	119.2660	0.000	1	118.0849	0.913	28	117.9788	2.063	39	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	116.9600	0.000	1	116.9600	0.000	1	118.0849	0.913	28	117.9788	2.063	39	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,3|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.0290	0.000	1	118.0290	0.000	1	118.0849	0.913	28	117.9788	2.063	39	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[5,6]CH)(N[6]C[6]H)(O)	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]O)(CC[6a]HH)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[5,6]CH)(N[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,2|H<1>,2|N<3>}	117.9970	0.000	1	117.9970	0.000	1	117.9970	0.000	1	117.9788	2.063	39	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H)	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H)	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	114.6790	2.681	2	114.6790	7.190	2	116.2928	3.536	6	117.9788	2.063	39	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H)	N[6](C[6]C[6,6a]N[5]H)(C[6]C[6]O)(H)	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	N[6](C[6]C[6,6a]N[5]H)(C[6]C[6]O)(H){1|H<1>,1|N<2>,1|N<3>,3|C<4>}	115.7880	0.000	1	115.7880	0.000	1	116.2928	3.536	6	117.9788	2.063	39	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H)	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H)	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	117.7695	0.237	2	117.7695	0.056	2	116.2928	3.536	6	117.9788	2.063	39	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H)	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(H)	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	117.0720	0.000	1	117.0720	0.000	1	116.2928	3.536	6	117.9788	2.063	39	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](N[6]C[6]Mo)(C[6]N[6]O)(CHHS)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|Mo<12>,1|C<3>,2|H<1>}	C[6](N[6]C[6]Mo)(C[6]N[6]O)(CHHS)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	117.6520	0.000	1	117.6520	0.000	1	117.6520	0.000	1	117.9788	2.063	39	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:2:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]N[6]CH)(N[6]C[6]O)(O)	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	C[6](C[6]N[6]CH)(N[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	116.2210	0.000	1	116.2210	0.000	1	116.2210	0.000	1	116.2210	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:3:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(O){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,3|H<1>,4|C<3>}	115.2625	0.404	2	115.2625	0.163	2	115.2625	0.163	2	117.1390	5.300	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:3:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]N[6]CH)(N[6]C[6]N)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH)	C[6](C[6]N[6]CH)(N[6]C[6]N)(O){1|C<3>,3|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.1070	0.000	1	118.1070	0.000	1	118.1070	0.000	1	117.1390	5.300	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:3:	C[6]-4:N[6]-3:O-1:	N[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]N[5a,6]CH)(N[6]C[6]N)(O)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CC[6a]HH)(H)	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(NHH)	C[6](C[6]N[5a,6]CH)(N[6]C[6]N)(O){1|C<3>,1|N<2>,2|C<4>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<4>,1|N<3>,2|N<2>}	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(NHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	119.9240	0.000	1	119.9240	0.000	1	119.9240	0.000	1	117.1390	5.300	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	117.5210	0.000	2	117.5210	0.000	2	118.3330	0.879	4	118.9312	1.000	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(CH3)(H){1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	119.1450	0.000	2	119.1450	0.000	2	118.3330	0.879	4	118.9312	1.000	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.4210	0.000	1	118.4210	0.000	1	119.0789	0.899	28	118.9312	1.000	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	116.6870	0.000	1	116.6870	0.000	1	119.0789	0.899	28	118.9312	1.000	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCOO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCOO)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	116.3980	0.000	1	116.3980	0.000	1	119.0789	0.899	28	118.9312	1.000	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5]HH)(H)	N[6](C[6]C[6]CO)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5]HH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CO)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	119.8630	0.000	1	119.8630	0.000	1	119.0789	0.899	28	118.9312	1.000	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H)	N[6](C[6]C[6]CO)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CO)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	120.3390	0.000	1	120.3390	0.000	1	119.0789	0.899	28	118.9312	1.000	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	119.1637	0.303	9	119.1637	0.092	9	119.0789	0.899	28	118.9312	1.000	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]CO)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CO)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	119.3690	0.000	1	119.3690	0.000	1	119.0789	0.899	28	118.9312	1.000	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH){1|C<4>,1|N<3>,3|H<1>}	119.6510	0.703	3	119.6510	0.495	3	119.0789	0.899	28	118.9312	1.000	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CClHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CClHH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	119.2107	0.342	3	119.2107	0.117	3	119.0789	0.899	28	118.9312	1.000	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	120.1090	0.000	1	120.1090	0.000	1	119.0789	0.899	28	118.9312	1.000	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	117.4140	0.000	1	117.4140	0.000	1	119.0789	0.899	28	118.9312	1.000	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	119.7770	0.396	2	119.7770	0.157	2	119.0789	0.899	28	118.9312	1.000	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.8240	0.000	1	118.8240	0.000	1	119.0789	0.899	28	118.9312	1.000	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,3|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.5530	0.000	1	118.5530	0.000	1	119.0789	0.899	28	118.9312	1.000	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	119.6200	0.000	1	119.6200	0.000	1	119.0789	0.899	28	118.9312	1.000	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H){1|O<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	117.1890	0.000	1	117.1890	0.000	1	117.1890	0.000	1	118.9312	1.000	33	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:2:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CO)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)(OH)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CO)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CCHH)(OH){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	115.9680	0.413	2	115.9680	0.171	2	115.9680	0.171	2	115.9680	0.171	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:2:	3:3:3:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]CO)(N[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[6,6a]CO)(N[6]C[6a]C[6])(O){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	115.3370	1.329	2	115.3370	1.767	2	115.6940	1.380	4	115.6940	1.380	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:2:	3:3:3:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]CO)(N[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(OC)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[6,6a]CO)(N[6]C[6a]C[6])(O){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(OC){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	116.0510	1.365	2	116.0510	1.862	2	115.6940	1.380	4	115.6940	1.380	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:2:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]CO)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6a]CO)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	118.2995	0.394	2	118.2995	0.155	2	118.2995	0.155	2	118.2057	0.104	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:2:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CO)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(OH)	N[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]CO)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(OH){1|C<4>,4|C<3>}	N[6](C[6]C[6]O)2(CH3){1|C<4>,1|O<2>,2|C<3>}	118.0180	0.000	1	118.0180	0.000	1	118.0180	0.000	1	118.2057	0.104	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:2:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:S-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CS)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(SC)	N[6](C[6]C[6]CO)(C[6]C[6]O)(H)	C[6](C[6]N[6]CS)(N[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(SC){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CO)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	118.8240	0.000	1	118.8240	0.000	1	118.8240	0.000	1	118.8240	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:2:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:O-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CO)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(OH)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]CO)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(OH){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	119.8617	1.143	3	119.8617	1.306	3	119.9322	0.891	4	119.9068	0.557	6	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:2:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:O-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CO)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HS)(OC)	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]CO)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HS)(OC){1|O<1>,2|C<4>}	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	120.1440	0.000	1	120.1440	0.000	1	119.9322	0.891	4	119.9068	0.557	6	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:2:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:S-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CS)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(SS)	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]CS)(N[6]C[6]C)(O){1|C<3>,1|S<2>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(SS){1|O<1>,2|C<4>}	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	119.8560	0.322	2	119.8560	0.104	2	119.8560	0.104	2	119.9068	0.557	6	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:3:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]CN)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(NCN)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6,6a]CN)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(NCN){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>}	119.4445	0.156	2	119.4445	0.024	2	119.4445	0.024	2	118.0624	1.302	8	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:3:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CN)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[6a]HH)(NHO)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CN)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CC[6a]HH)(NHO){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|N<3>,2|C<4>}	117.6017	0.894	6	117.6017	0.799	6	117.6017	0.799	6	118.0624	1.302	8	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:3:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(CNS)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]CC)(N[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(CNS){1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.0940	0.000	1	119.0940	0.000	1	119.0940	0.000	1	119.0940	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]CC)(N[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	N[6](C[6]C[6,6a]C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]CC)(N[6]C[6]H)(O){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C)(C[6]C[6]O)(H){2|C<3>,2|C<4>}	116.6740	0.000	1	116.6740	0.000	1	116.6740	0.000	1	117.8512	0.707	84	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(CCCH)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]N[6]N)(C[6]N[6]O)(CCCH)2{1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,2|C<4>}	117.5990	0.170	2	117.5990	0.029	2	117.8654	0.699	83	117.8512	0.707	84	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCCH)(CCHH)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CCCH)(CCHH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,3|C<4>}	117.9890	0.000	1	118.1753	0.490	7	117.8654	0.699	83	117.8512	0.707	84	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCCH)(CCHH)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CCCH)(CCHH){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	118.2063	0.761	6	118.1753	0.490	7	117.8654	0.699	83	117.8512	0.707	84	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCCH)(CCHH)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]O)2(CCCH)(CCHH){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|H<1>,2|C<4>}	118.6225	0.383	2	118.6225	0.146	2	117.8654	0.699	83	117.8512	0.707	84	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)(CH3)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CCHH)(CH3){1|H<1>,2|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<3>,2|C<4>}	118.1710	0.000	1	118.1710	0.000	1	117.8654	0.699	83	117.8512	0.707	84	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)2(CCHH)2{1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,2|C<4>}	116.2623	0.324	3	116.8448	0.945	5	117.8654	0.699	83	117.8512	0.707	84	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)2(CCHH)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,1|H<1>,2|C<4>}	117.7185	1.013	2	116.8448	0.945	5	117.8654	0.699	83	117.8512	0.707	84	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,2|O<1>}	C[6](C[6]N[6]O)2(CCHH)2{1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,2|C<4>}	116.8710	0.000	1	117.7972	0.650	58	117.8654	0.699	83	117.8512	0.707	84	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]O)2(CCHH)2{1|Pd<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,2|C<4>}	117.9650	0.000	1	117.7972	0.650	58	117.8654	0.699	83	117.8512	0.707	84	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CCHH)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	118.0920	0.675	41	117.7972	0.650	58	117.8654	0.699	83	117.8512	0.707	84	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CCHH)2{1|Co<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Co<4>,1|C<3>,2|C<4>}	117.4740	0.000	1	117.7972	0.650	58	117.8654	0.699	83	117.8512	0.707	84	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CCHH)2{1|Cu<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Cu<4>,1|C<3>,2|C<4>}	116.0410	0.000	1	117.7972	0.650	58	117.8654	0.699	83	117.8512	0.707	84	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CCHH)2{1|Cu<5>,1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Cu<5>,1|C<3>,2|C<4>}	116.9243	0.213	3	117.7972	0.650	58	117.8654	0.699	83	117.8512	0.707	84	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CCHH)2{1|Ni<5>,1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Ni<5>,1|C<3>,2|C<4>}	117.1025	0.411	2	117.7972	0.650	58	117.8654	0.699	83	117.8512	0.707	84	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CCHH)2{1|Ni<6>,1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Ni<6>,1|C<3>,2|C<4>}	116.4530	0.000	1	117.7972	0.650	58	117.8654	0.699	83	117.8512	0.707	84	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CCHH)2{1|Pd<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,2|C<4>}	117.7000	0.709	4	117.7972	0.650	58	117.8654	0.699	83	117.8512	0.707	84	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CCHH)2{1|Pt<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Pt<4>,1|C<3>,2|C<4>}	116.5025	0.368	2	117.7972	0.650	58	117.8654	0.699	83	117.8512	0.707	84	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CCHH)2{1|Zn<5>,1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Zn<5>,1|C<3>,2|C<4>}	116.8750	0.000	1	117.7972	0.650	58	117.8654	0.699	83	117.8512	0.707	84	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]O)2(CCHH)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|H<1>,2|C<4>}	118.2630	0.495	2	118.2630	0.245	2	117.8654	0.699	83	117.8512	0.707	84	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CC[6a]HH)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CC[6a]HH)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	118.6670	0.530	6	118.6670	0.280	6	117.8654	0.699	83	117.8512	0.707	84	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]CC)(N[6]C[6,6a]C)(O)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]O)(CCHH)(CH3)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6a]CC)(N[6]C[6,6a]C)(O){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	118.0975	0.334	2	118.0975	0.112	2	118.0975	0.112	2	118.0030	2.887	26	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CBrHH)(CH3)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CBrHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>}	120.0450	0.000	1	120.0450	0.000	1	119.2645	1.066	10	118.0030	2.887	26	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>}	119.2680	0.929	4	119.2680	0.862	4	119.2645	1.066	10	118.0030	2.887	26	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)2	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){2|C<3>,2|C<4>}	118.8385	1.271	4	118.8385	1.616	4	119.2645	1.066	10	118.0030	2.887	26	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CHHN)(CH3)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CHHN)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>}	120.1740	0.000	1	120.1740	0.000	1	119.2645	1.066	10	118.0030	2.887	26	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CCCH)(CCHH)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CCCH)(CCHH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	120.1290	0.000	1	120.1290	0.000	1	116.8060	4.229	7	118.0030	2.887	26	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[6a]HH)(CCHH)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CC[6a]HH)(CCHH){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	118.1325	0.016	2	118.1325	0.000	2	116.8060	4.229	7	118.0030	2.887	26	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[6a]HH)(CCHH)	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|N<2>,1|O<1>,1|S<2>}	C[6](C[6]N[6]O)2(CC[6a]HH)(CCHH){1|C<3>,1|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3){1|C<3>,2|C<4>}	115.9780	0.113	2	115.9780	0.013	2	116.8060	4.229	7	118.0030	2.887	26	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CH3)2	N[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)2(CH3)2{1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|C<3>,3|C<4>}	114.6460	0.310	2	114.6460	0.096	2	116.8060	4.229	7	118.0030	2.887	26	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:N-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CN)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CCHH)(NHHO)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CN)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CCHH)(NHHO){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|N<4>,2|C<4>}	116.5900	0.091	2	116.5900	0.008	2	116.5900	0.008	2	118.0030	2.887	26	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:S-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CS)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CHSS)(SCOO)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CS)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CHSS)(SCOO){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|S<4>,2|C<4>}	116.9440	0.113	2	116.9440	0.013	2	116.9440	0.013	2	118.0030	2.887	26	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]CC)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(CCHH)	N[6](C[6]C[6]O)2(CCHH)	C[6](C[6]N[6]CC)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(CCHH){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]O)2(CCHH){1|N<3>,1|O<1>,2|C<4>}	119.9510	0.000	1	119.9510	0.000	1	119.9510	0.000	1	118.0030	2.887	26	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	3:3:4:	C[6]-4:N[6]-3:S-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(S)	C[6](C[6]N[6]S)2(CC[6a]HH)(CH3)	N[6](C[6]C[6]S)(C[6]N[6]S)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]C)(S){1|N<3>,2|S<1>}	C[6](C[6]N[6]S)2(CC[6a]HH)(CH3){1|C<3>,2|C<4>}	N[6](C[6]C[6]S)(C[6]N[6]S)(CH3){1|C<3>,3|C<4>}	117.2880	0.247	2	117.2880	0.061	2	117.2880	0.061	2	118.0030	2.887	26	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)2	N[6](C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]N[6]CC)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)2{1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CC)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<4>}	118.4640	0.000	1	118.4640	0.000	1	118.4640	0.000	1	119.8244	0.471	10	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	4:3:1:	C[6]-4:N[6]-3:O-1:	N[5,6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[5,6]CC)(N[6]C[6]H)(O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)2	N[6](C[6]C[5,6]CC)(C[6]C[6]O)(H)	C[6](C[6]N[5,6]CC)(N[6]C[6]H)(O){2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)2{1|H<1>,1|N<2>,1|O<1>,2|C<4>}	N[6](C[6]C[5,6]CC)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|C<4>}	120.3170	0.000	1	120.3170	0.000	1	120.3170	0.000	1	119.8244	0.471	10	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	4:3:1:	C[6]-4:N[6]-3:O-1:	N[5a,6]-3:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]N[5a,6]CC)(N[6]C[6,6]H)(O)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2	N[6](C[6,6]C[5a,6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6]N[5a,6]CC)(N[6]C[6,6]H)(O){1|C<3>,1|N<2>,2|C<4>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2{1|C<4>,1|H<1>,2|N<2>}	N[6](C[6,6]C[5a,6]C[6]2)(C[6]C[6]O)(H){1|N<2>,1|N<3>,4|C<4>,4|H<1>}	119.9320	0.765	4	119.9320	0.586	4	119.9320	0.586	4	119.8244	0.471	10	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	4:3:1:	C[6]-4:N[6]-3:O-1:	N[5a,6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[5a,6]CC)(N[6]C[6]H)(O)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(H)	C[6](C[6]N[5a,6]CC)(N[6]C[6]H)(O){1|C<3>,1|N<2>,2|C<4>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2{1|C<4>,1|H<1>,2|N<2>}	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|C<4>}	119.9338	0.314	4	119.9338	0.099	4	119.9338	0.099	4	119.8244	0.471	10	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	4:3:2:	C[6]-4:N[6]-3:O-1:	C[5a,6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[5a,6]CC)(N[6]C[6]O)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]O)(CH3)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(OC)	C[6](C[6]C[5a,6]CC)(N[6]C[6]O)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]O)(CH3)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(OC){1|C<3>,1|N<3>,2|C<4>}	118.3220	0.000	1	118.3220	0.000	1	118.3220	0.000	1	118.3220	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:4:2:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(CC[6a]HH)(O[6]C[6])(H)	N[6](C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<3>,2|C<4>}	C[6](C[6]N[6]O)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	115.9170	0.000	1	115.9170	0.000	1	115.9170	0.000	1	117.6100	1.283	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:4:2:1:	4:3:1:	C[6]-4:N[6]-3:S-1:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]CH)(N[6]C[6]H)(S)	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H)	N[6](C[6]C[6]CC)(C[6]C[6]S)(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(S){1|C<3>,2|C<4>}	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CC)(C[6]C[6]S)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	118.0380	0.000	1	118.1743	0.014	3	118.1743	0.014	3	117.6100	1.283	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:4:2:1:	4:3:1:	C[6]-4:N[6]-3:S-1:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]CH)(N[6]C[6]H)(S)	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H)	N[6](C[6]C[6]CC)(C[6]C[6]S)(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(S){1|C<3>,2|C<4>}	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|S<1>}	N[6](C[6]C[6]CC)(C[6]C[6]S)(H){1|C<4>,1|H<1>,1|O<2>,1|S<1>}	118.2425	0.018	2	118.1743	0.014	3	118.1743	0.014	3	117.6100	1.283	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:4:2:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(H){1|O<2>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	117.7510	0.000	1	117.7510	0.000	1	117.7510	0.000	1	118.1415	0.305	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:4:2:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]O[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(CC[6a]HO)(O[6]C[6])(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]O[6]CH)(N[6]C[6]C)(O){1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(CC[6a]HO)(O[6]C[6])(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	118.5320	0.000	1	118.5320	0.000	1	118.5320	0.000	1	118.1415	0.305	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:4:2:4:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CC)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(CH3)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]CC)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(CH3){1|O<2>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<2>,1|O<2>,2|C<4>}	119.2870	0.000	1	119.2870	0.000	1	119.2870	0.000	1	119.2870	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:4:3:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)(H){1|S<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	115.5880	0.000	1	115.5880	0.000	1	115.5880	0.000	1	115.5880	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(O)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]O)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]O)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	117.8260	0.000	1	117.8260	0.000	1	117.8260	0.000	1	116.9320	1.283	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6]H)(N[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]O)(H){1|C<4>,3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	115.6580	0.000	1	115.6580	0.000	1	115.6580	0.000	1	116.9320	1.283	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[5a]C[6]H)(N[6]C[6]H)(O)	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[5a]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|H<1>}	117.3120	0.000	1	117.3120	0.000	1	117.3120	0.000	1	116.9320	1.283	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:4:3:1:	4:3:3:	C[6]-4:N[6]-3:O-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O){1|C<3>,1|C<4>,3|H<1>}	117.3670	0.000	1	117.3670	0.000	1	117.3670	0.000	1	117.3670	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:4:3:3:	3:4:3:	C[6]-4:N[6]-3:O-1:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6]C)(N[6]C[6a]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6a]C[6]C)(N[6]C[6a]C[6])(O){4|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(COO){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|H<1>,5|C<3>}	116.9230	0.000	1	116.9230	0.000	1	116.9230	0.000	1	116.9230	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:4:3:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH)	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH){3|C<3>,5|H<1>}	N[6](C[6]C[6]O)2(H){1|C<3>,2|C<4>,2|H<1>}	116.6240	0.000	1	116.6240	0.000	1	116.6240	0.000	1	116.6240	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:4:3:4:	3:3:3:	C[6]-4:N[6]-3:O-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6]C)(N[6]C[6a]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6a]C[6]C)(N[6]C[6a]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CH3){2|H<1>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){2|C<4>,2|H<1>,4|C<3>}	115.9920	0.139	2	115.9920	0.019	2	115.9920	0.019	2	115.9920	0.019	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	2:3:1:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(N[6]N[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2	N[6](N[6]C[6,6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2{1|C<3>,1|N<2>,1|O<2>,3|H<1>}	N[6](N[6]C[6,6])(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	115.2080	1.598	2	115.2080	2.554	2	115.2080	2.554	2	115.2080	2.554	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	2:3:4:	C[6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(N[6]N[6]C)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(H)2	N[6](N[6]C[5,6])(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]HH)(N[6]N[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	N[6](N[6]C[5,6])(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|H<1>}	115.7320	0.000	1	115.7320	0.000	1	115.7320	0.000	1	114.9810	1.128	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	2:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(N[6]N[6]C)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2	N[6](N[6]C[6,6])(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]HH)(N[6]N[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[6](N[6]C[6,6])(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,2|H<1>}	114.2300	0.000	1	114.2300	0.000	1	114.2300	0.000	1	114.9810	1.128	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:2:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]HH)(N[6]N[6]H)(O)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)(N[6]C[6])(H)	C[6](C[6]C[6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]O)(N[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	115.0070	0.513	2	115.0070	0.264	2	115.4056	0.552	5	115.4056	0.552	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:2:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]HH)(N[6]N[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)(N[6]C[6])(H)	C[6](C[6]C[6]HH)(N[6]N[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]O)(N[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	115.6713	0.842	3	115.6713	0.708	3	115.4056	0.552	5	115.4056	0.552	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(O)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]N[6]O)(H)2	N[6](C[6]N[5,6]S)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]N[5,6]S)(C[6]C[6]O)(H){2|C<4>,2|H<1>}	115.1360	0.363	2	115.1360	0.132	2	114.9203	0.206	3	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(O)	C[6](C[5,6]C[5]N[6]O[5])(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5]N[6]O[5])(C[6]N[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	114.4890	0.000	1	114.4890	0.000	1	114.9203	0.206	3	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6,6a]H)(O)	C[6](C[6,6]C[6,6,6a]C[6]C)(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6a]H)(O){2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6,6a]C[6]C)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	115.4400	0.000	1	115.4400	0.000	1	115.4400	0.000	1	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	116.5200	0.000	1	116.5200	0.000	1	116.8483	0.178	3	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(O)	C[6](C[6,6]C[6]3)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(O){1|O<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]N[6]O)(H)2{1|C<3>,2|C<4>,7|H<1>}	N[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	117.0125	0.441	2	117.0125	0.194	2	116.8483	0.178	3	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:Cl-1:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(O)	C[6](C[6]N[6]HO)(C[6]N[6]O)(Cl)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]HO)(C[6]N[6]O)(Cl)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|Cl<1>,1|C<4>,1|H<1>}	114.2540	0.000	1	114.2540	0.000	1	114.2540	0.000	1	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2{1|C<3>,3|H<1>}	N[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	117.3945	0.452	4	117.3945	0.204	4	116.5608	1.461	60	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{1|C<3>,3|H<1>}	N[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	116.6930	1.414	2	116.6930	2.000	2	116.5608	1.461	60	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)(C[6]C[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,3|H<1>}	N[6](C[6]C[6]O)(C[6]C[6]S)(H){1|C<4>,4|H<1>}	116.7730	0.247	2	116.7730	0.061	2	116.5608	1.461	60	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,2|H<1>}	116.9525	0.530	2	117.0697	0.385	32	116.5608	1.461	60	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|F<1>,1|H<1>,1|N<3>}	N[6](C[6]C[6]O)2(H){1|C<4>,1|F<1>,1|N<3>,2|H<1>}	116.7225	0.574	4	117.0697	0.385	32	116.5608	1.461	60	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,3|H<1>}	116.8402	0.587	11	117.0697	0.385	32	116.5608	1.461	60	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,3|H<1>}	N[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	117.4029	0.576	14	117.0697	0.385	32	116.5608	1.461	60	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]O)2(H){1|C<3>,2|C<4>,2|H<1>}	116.5530	0.000	1	117.0697	0.385	32	116.5608	1.461	60	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<2>,1|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<2>,1|C<4>,2|H<1>}	115.3258	0.605	6	115.2830	0.314	8	116.5608	1.461	60	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	114.7550	0.000	1	115.2830	0.314	8	116.5608	1.461	60	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	115.5540	0.000	1	115.2830	0.314	8	116.5608	1.461	60	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	115.5900	0.000	1	115.5900	0.000	1	116.5608	1.461	60	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(H)2{1|H<1>,3|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<4>,2|H<1>}	114.4532	0.309	4	114.4532	0.096	4	116.5608	1.461	60	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|W<6>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<4>,1|W<6>,2|H<1>}	116.9560	0.000	1	116.9560	0.000	1	116.5608	1.461	60	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]N[6]HN)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]N[6]HN)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	115.6770	0.000	1	115.6770	0.000	1	116.5608	1.461	60	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]N[6]HS)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[6]HS)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	113.8090	0.209	2	113.8090	0.044	2	116.5608	1.461	60	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)(C[6]S[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]S[6]C)(H){1|C<4>,2|H<1>}	118.6190	0.342	2	118.6190	0.117	2	116.5608	1.461	60	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)(C[6]S[6]N)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|N<2>,1|S<2>,2|H<1>}	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	117.7480	0.000	1	117.7480	0.000	1	116.5608	1.461	60	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]N[6]H)(O)	C[6](C[6]C[6]HN)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]N[6]O)(H)2{1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	113.8680	0.000	1	113.8680	0.000	1	113.8680	0.000	1	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]N[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](N[6]C[6]Co)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]N[6]H)(O){1|Co<6>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>}	N[6](N[6]C[6]Co)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	116.2420	0.000	1	116.2420	0.000	1	116.2420	0.000	1	116.4108	1.560	70	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]O)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)2(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	N[6](C[6]C[6]O)2(OC){1|C<4>,1|N<3>,3|H<1>}	114.5810	1.055	2	114.5810	1.113	2	114.5810	1.113	2	114.5810	1.113	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(O)	C[6](C[6,6]C[6]3)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)2(CC[6a]O)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]N[6]O)(H)2{2|C<3>,2|C<4>,6|H<1>}	N[6](C[6]C[6]O)2(CC[6a]O){1|C<4>,4|H<1>}	116.8060	0.767	2	116.8060	0.588	2	116.8060	0.588	2	116.8060	0.588	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(H)2{1|H<1>,3|C<3>,3|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	118.7220	0.000	1	118.7220	0.000	1	117.8190	0.376	5	116.7629	4.052	44	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O)	C[6](C[5,6]C[5]2C[6])(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)2(CCHH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]N[6]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	N[6](C[6]C[6]O)2(CCHH){1|C<4>,4|H<1>}	117.5932	0.402	4	117.5932	0.161	4	117.8190	0.376	5	116.7629	4.052	44	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[6]O)(H)2	N[6](C[6]N[5,6]O)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[6]O)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	N[6](C[6]N[5,6]O)(C[6]C[6]O)(SC[6a]OO){2|C<4>,2|H<1>}	113.4200	0.000	1	113.4200	0.000	1	113.4200	0.000	1	116.7629	4.052	44	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(O)	C[6](C[6,6]C[6,6]2H)(C[6]N[6]O)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH){2|H<1>,3|C<4>}	118.4822	0.662	5	118.4822	0.438	5	118.4822	0.438	5	116.7629	4.052	44	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]FH)(N[6]C[6]C)(O)	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(F)(H)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]FH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(F)(H){2|C<4>,3|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|F<1>,1|H<1>,2|C<4>}	113.9430	0.000	1	113.9430	0.000	1	114.3618	0.269	4	116.7629	4.052	44	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]FH)(N[6]C[6]C)(O)	C[6](C[6]C[6]N[6]H)(C[6]N[6]O)(F)(H)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]FH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N[6]H)(C[6]N[6]O)(F)(H){1|O<2>,2|C<3>,3|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|F<1>,1|H<1>,2|C<4>}	114.9840	0.000	1	114.9840	0.000	1	114.3618	0.269	4	116.7629	4.052	44	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]FH)(N[6]C[6]C)(O)	C[6](C[6]N[6]CH)(C[6]N[6]O)(F)(H)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]FH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(F)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|F<1>,1|H<1>,2|C<4>}	114.5940	0.000	1	114.5940	0.000	1	114.3618	0.269	4	116.7629	4.052	44	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]FH)(N[6]C[6]C)(O)	C[6](C[6]N[6]CO)(C[6]N[6]O)(F)(H)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]FH)(N[6]C[6]C)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]CO)(C[6]N[6]O)(F)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|F<1>,1|H<1>,2|C<4>}	113.9260	0.000	1	113.9260	0.000	1	114.3618	0.269	4	116.7629	4.052	44	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(H)2{2|C<4>,3|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	116.1950	0.000	1	116.1975	0.000	2	117.5127	1.914	23	116.7629	4.052	44	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(H)2{1|O<2>,2|C<3>,3|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	116.2000	0.000	1	116.1975	0.000	2	117.5127	1.914	23	116.7629	4.052	44	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]O)2(CC[6a]HH){2|C<4>,3|H<1>}	118.6720	0.633	6	118.6720	0.401	6	117.5127	1.914	23	116.7629	4.052	44	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6](C[6]C[6]O)2(CCHH){1|C<4>,1|N<3>,3|H<1>}	117.5450	0.000	1	117.5450	0.000	1	117.5127	1.914	23	116.7629	4.052	44	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	N[6](C[6]C[6]O)2(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	117.2810	0.000	1	117.2810	0.000	1	117.5127	1.914	23	116.7629	4.052	44	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)2(CSiHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]O)2(CSiHH){1|C<4>,4|H<1>}	118.2122	1.428	6	118.2122	2.040	6	117.5127	1.914	23	116.7629	4.052	44	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6]N[6]H)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N[6]H)(C[6]N[6]O)(H)2{1|O<2>,2|C<4>,3|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	115.8670	0.000	1	115.8670	0.000	1	117.5127	1.914	23	116.7629	4.052	44	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	N[6](C[6]C[6]N)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>}	N[6](C[6]C[6]N)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|H<1>}	116.2000	0.000	1	116.2000	0.000	1	117.5127	1.914	23	116.7629	4.052	44	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	115.8200	0.000	1	115.8200	0.000	1	117.5127	1.914	23	116.7629	4.052	44	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]N[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|N<3>,1|S<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH){1|C<4>,3|H<1>}	115.8260	0.000	1	115.8260	0.000	1	117.5127	1.914	23	116.7629	4.052	44	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]N[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|N<3>,1|S<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(CC[6a]HH){1|C<4>,3|H<1>}	116.0695	0.521	2	116.0695	0.272	2	117.5127	1.914	23	116.7629	4.052	44	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]S[6]CH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)(C[6]S[6]O)(CCCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[6](C[6]S[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>}	N[6](C[6]C[6]O)(C[6]S[6]O)(CCCH){1|C<4>,2|H<1>}	118.4150	0.000	1	118.4150	0.000	1	117.5127	1.914	23	116.7629	4.052	44	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]C)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|S<4>}	N[6](C[6]C[6]C)(C[6]C[6]O)(SC[6a]OO){1|C<4>,3|H<1>}	115.5540	0.000	1	115.5540	0.000	1	113.7335	1.096	6	116.7629	4.052	44	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(O){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO){2|C<4>,2|H<1>}	113.3603	0.682	3	113.3603	0.465	3	113.7335	1.096	6	116.7629	4.052	44	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(O)	C[6](C[6]N[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(O){1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|S<4>}	N[6](C[6]C[6a]N[6])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	113.3830	0.758	2	113.3830	0.575	2	113.7335	1.096	6	116.7629	4.052	44	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	3:4:2:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C-4:N[6]-2:	C[6](C[6]C[6]HH)(N[6]N[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]O)(CC[6a]HH)(N[6]C[6])	C[6](C[6]C[6]HH)(N[6]N[6]C)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|N<2>}	N[6](C[6]C[6]O)(CC[6a]HH)(N[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	114.2490	0.000	1	114.2490	0.000	1	114.2490	0.000	1	114.2490	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:Cl-1:Cl-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]Cl2)(N[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(Cl)2	N[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]Cl2)(N[6]C[6,6]H)(O){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(Cl)2{1|Cl<1>,2|C<4>,4|H<1>}	N[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]O)(H){2|Cl<1>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	115.3000	0.000	1	115.3000	0.000	1	115.3000	0.000	1	118.4130	1.136	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	118.9640	0.233	2	118.9640	0.054	2	118.6553	0.313	3	118.4130	1.136	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(H)2	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	118.0380	0.000	1	118.0380	0.000	1	118.6553	0.313	3	118.4130	1.136	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]FH)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(F)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]FH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(F)(H){1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	118.0110	0.000	1	118.0110	0.000	1	118.0110	0.000	1	118.4130	1.136	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<2>,1|N<3>,4|H<1>}	119.0225	0.428	2	119.0225	0.183	2	118.5544	1.005	33	118.4130	1.136	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	118.9303	0.568	7	118.9303	0.322	7	118.5544	1.005	33	118.4130	1.136	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|F<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|F<1>,3|H<1>}	118.0090	0.000	1	118.6999	0.315	18	118.5544	1.005	33	118.4130	1.136	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|H<1>}	118.6725	0.209	2	118.6999	0.315	18	118.5544	1.005	33	118.4130	1.136	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	118.7496	0.586	15	118.6999	0.315	18	118.5544	1.005	33	118.4130	1.136	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.8350	0.000	1	118.3760	0.421	2	118.5544	1.005	33	118.4130	1.136	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	117.9170	0.000	1	118.3760	0.421	2	118.5544	1.005	33	118.4130	1.136	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6]HO)(C[6]N[6]O)(H)2	N[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(H){4|C<4>,4|H<1>}	117.7910	0.000	1	117.7910	0.000	1	118.5544	1.005	33	118.4130	1.136	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	118.3495	0.251	2	118.3495	0.063	2	118.5544	1.005	33	118.4130	1.136	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	113.8990	0.000	1	113.8990	0.000	1	118.5544	1.005	33	118.4130	1.136	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	C[6](N[6]C[6]CC)(C[6]N[6]O)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){2|H<1>,3|C<4>}	C[6](N[6]C[6]CC)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<4>,4|H<1>}	118.4780	0.000	1	118.4780	0.000	1	118.4780	0.000	1	118.4130	1.136	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:N[6]-3:S-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(S)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H)2	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]S)(H){1|C<4>,2|C<3>,3|H<1>}	117.4405	0.204	2	117.4405	0.042	2	117.4405	0.042	2	118.4130	1.136	41	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:2:	C[6]-4:N[6]-3:O-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[3,6]HH)(N[6]C[6]O)(O)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]O)(H)2	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(OC)	C[6](C[6]C[3,6]HH)(N[6]C[6]O)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(OC){2|H<1>,3|C<4>}	115.8800	0.000	1	115.8800	0.000	1	115.8800	0.000	1	115.9627	0.484	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:2:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6]HH)(N[6]C[6]N)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(NN)	C[6](C[6]C[6]HH)(N[6]C[6]N)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(NN){1|C<4>,4|H<1>}	116.6960	0.000	1	116.6960	0.000	1	116.6960	0.000	1	115.9627	0.484	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:2:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]O)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|O<2>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,3|H<1>}	115.3120	0.000	1	115.3120	0.000	1	115.3120	0.000	1	115.9627	0.484	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,1|O<2>,3|H<1>}	117.7470	0.000	1	116.9485	1.275	2	117.1423	0.750	3	117.1423	0.750	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,4|H<1>}	116.1500	0.000	1	116.9485	1.275	2	117.1423	0.750	3	117.1423	0.750	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HO)(C[6]N[6]O)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,4|H<1>}	117.5300	0.000	1	117.5300	0.000	1	117.1423	0.750	3	117.1423	0.750	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[3,6]HH)(N[6]C[6]C)(O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]O)(H)2	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[3,6]HH)(N[6]C[6]C)(O){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]O)(H)2{1|H<1>,2|C<4>}	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	117.6140	0.000	1	117.6140	0.000	1	117.6140	0.000	1	118.5664	2.504	27	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O)	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]O)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]O)(H)2{2|C<3>,4|C<4>}	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CCHH){2|H<1>,3|C<4>}	113.4580	0.000	1	113.4580	0.000	1	113.4580	0.000	1	118.5664	2.504	27	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]N[6]O)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]N[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|S<2>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,4|H<1>}	119.3715	0.677	2	119.3715	0.458	2	119.3847	0.229	3	118.5664	2.504	27	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,4|H<1>}	119.4110	0.000	1	119.4110	0.000	1	119.3847	0.229	3	118.5664	2.504	27	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:S-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]S)(O)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[6]O)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]S)(O){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO){1|C<3>,1|C<4>,6|H<1>}	117.8500	0.000	1	117.8500	0.000	1	117.8500	0.000	1	118.5664	2.504	27	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>,4|H<1>}	119.7780	0.000	1	119.7780	0.000	1	118.9723	2.482	13	118.5664	2.504	27	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{1|H<1>,1|S<4>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	114.3030	0.000	1	114.3030	0.000	1	118.9723	2.482	13	118.5664	2.504	27	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|H<1>,3|C<4>}	N[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6a]HH){2|C<4>,3|H<1>}	118.8790	0.000	1	118.8790	0.000	1	118.9723	2.482	13	118.5664	2.504	27	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH){1|C<4>,4|H<1>}	119.7130	0.000	1	119.7130	0.000	1	118.9723	2.482	13	118.5664	2.504	27	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]HH){1|C<4>,4|H<1>}	118.0450	0.000	1	118.0450	0.000	1	118.9723	2.482	13	118.5664	2.504	27	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]HN)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6]HN)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	118.8370	0.184	2	118.8370	0.034	2	118.9723	2.482	13	118.5664	2.504	27	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	119.0460	0.000	1	119.0460	0.000	1	118.9723	2.482	13	118.5664	2.504	27	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,3|C<3>,3|H<1>}	120.3430	0.000	1	120.3430	0.000	1	118.9723	2.482	13	118.5664	2.504	27	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCCH){1|C<4>,3|C<3>,3|H<1>}	120.5240	0.000	1	120.5240	0.000	1	118.9723	2.482	13	118.5664	2.504	27	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH){1|C<4>,3|C<3>,3|H<1>}	119.7940	0.385	2	119.7940	0.148	2	118.9723	2.482	13	118.5664	2.504	27	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|H<1>,1|S<4>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	118.7470	0.000	1	118.7470	0.000	1	118.9723	2.482	13	118.5664	2.504	27	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(O)	C[6](C[6]C[3]C[6]H)(C[6]N[6]O)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]N[6]O)(H)2{1|S<4>,3|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO){1|C<4>,4|H<1>}	118.5290	0.000	1	118.5290	0.000	1	118.5290	0.000	1	118.5664	2.504	27	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:I-1:I-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]II)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(I)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]II)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(I)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|H<1>,2|I<1>}	117.5170	0.000	1	117.5170	0.000	1	117.5170	0.000	1	118.5664	2.504	27	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	C[6](N[6]C[6]CH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){2|C<4>,3|H<1>}	C[6](N[6]C[6]CH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<4>,4|H<1>}	118.1410	0.000	1	118.1410	0.000	1	118.3180	0.290	4	118.5664	2.504	27	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	C[6](N[6]C[6]CoC)(C[6]N[6]O)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|Co<6>,2|C<4>,2|H<1>}	C[6](N[6]C[6]CoC)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<4>,4|H<1>}	118.3350	0.000	1	118.3350	0.000	1	118.3180	0.290	4	118.5664	2.504	27	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	C[6](N[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	C[6](N[6]C[6]HH)(C[6]N[6]O)(H)2{4|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<4>,2|C<4>,2|H<1>}	119.0410	0.000	1	119.0410	0.000	1	118.3180	0.290	4	118.5664	2.504	27	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	C[6](N[6]C[6]NiC)(C[6]N[6]O)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|Ni<6>,2|C<4>,2|H<1>}	C[6](N[6]C[6]NiC)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<4>,4|H<1>}	117.7550	0.000	1	117.7550	0.000	1	118.3180	0.290	4	118.5664	2.504	27	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:S-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(S)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]S)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]CH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(S){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]S)(H)2{2|H<1>,4|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]CH){1|C<4>,4|H<1>}	118.7210	0.000	1	118.7210	0.000	1	118.7210	0.000	1	118.5664	2.504	27	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:S-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(S)	C[6](C[6]C[6]CH)(C[6]N[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]S)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(S){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]S)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]S)(CC[6a]CH){1|C<4>,4|H<1>}	119.5370	0.000	1	119.5370	0.000	1	119.5370	0.000	1	118.5664	2.504	27	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:1:1:	4:4:3:	C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|B<4>,3|C<4>,7|H<1>}	124.6425	0.346	2	124.6425	0.120	2	124.6425	0.120	2	124.6425	0.120	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(O)	C[6](C[6]C[6]CC)(C[6]N[6]O)(CN)(H)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(O){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]N[6]O)(CN)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<2>,1|C<4>,2|H<1>}	113.2190	0.000	1	113.2190	0.000	1	113.5720	0.249	2	114.9330	5.682	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CN)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CN)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	113.9250	0.000	1	113.9250	0.000	1	113.5720	0.249	2	114.9330	5.682	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H)	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	117.6550	0.000	1	117.6550	0.000	1	117.6550	0.000	1	114.9330	5.682	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:2:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HO)(N[6]C[6]C)(O){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H){1|C<4>,4|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	114.7850	0.000	1	114.7850	0.000	1	114.7850	0.000	1	114.7850	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:2:1:	4:3:3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HO)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HO)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,1|O<2>,3|H<1>}	116.9710	0.000	1	116.9710	0.000	1	116.9710	0.000	1	116.9710	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:2:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CN)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CN)(H){1|H<1>,2|C<3>,3|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<2>,2|C<4>,2|H<1>}	116.5760	0.000	1	116.5760	0.000	1	116.5760	0.000	1	117.6018	3.105	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:2:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	118.6170	0.000	1	118.6170	0.000	1	117.8890	5.546	3	117.6018	3.105	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:2:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H)	N[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HO)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]C[6]HO)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	117.5250	3.209	2	117.5250	10.297	2	117.8890	5.546	3	117.6018	3.105	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:2:1:	4:3:4:	C[6]-4:N[6]-3:S-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(S)	C[6](C[6]C[6]HH)(C[6]N[6]S)(OC)(H)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(S){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]S)(OC)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	117.7660	0.000	1	117.7660	0.000	1	117.7660	0.000	1	117.6018	3.105	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:2:2:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:S-2:S-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]SS)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a])2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]SS)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a])2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|H<1>,2|S<2>}	117.9654	0.169	5	117.9654	0.028	5	117.9654	0.028	5	117.9654	0.028	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	2:3:3:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	N[6]-2:C[6]-3:C-3:	C[6](C[6]C[6,6]C[6a]H)(N[6]N[6]C)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	N[6](N[6]C[6,6])(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]C[6a]H)(N[6]N[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	N[6](N[6]C[6,6])(C[6]C[6]O)(COO){1|C<4>,1|H<1>,2|C<3>}	114.5200	0.000	1	114.5200	0.000	1	114.5200	0.000	1	114.5200	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(CC[6a]O)(H)	N[6](C[6]C[6,6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(O){1|H<1>,1|N<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(CC[6a]O)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6]N)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	117.7220	0.000	1	117.7220	0.000	1	117.7220	0.000	1	115.8653	0.904	18	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:N[5]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5]F)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(F)	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]N[5]F)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(F){2|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6]O)2(H){1|C<4>,1|F<1>,1|N<3>,2|H<1>}	115.1430	0.927	4	115.1430	0.860	4	115.1430	0.860	4	115.8653	0.904	18	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|O<1>,3|C<3>,5|H<1>}	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,3|H<1>}	115.6455	0.823	4	116.0806	0.390	12	116.0806	0.390	12	115.8653	0.904	18	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,3|H<1>}	116.2815	0.067	2	116.0806	0.390	12	116.0806	0.390	12	115.8653	0.904	18	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	115.7180	0.000	1	116.0806	0.390	12	116.0806	0.390	12	115.8653	0.904	18	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){2|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,3|H<1>}	116.4208	0.420	5	116.0806	0.390	12	116.0806	0.390	12	115.8653	0.904	18	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6]H)(N[6]C[6]H)(O)	C[6](C[6]C[6]2H)(C[6]N[6]O)(N[6]N[6]C)(H)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]N[6]H)(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6](C[6]C[6]2H)(C[6]N[6]O)(N[6]N[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<4>,1|H<1>,1|N<3>}	114.3150	0.000	1	114.3150	0.000	1	114.3150	0.000	1	115.8653	0.904	18	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	3:3:2:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]HN)(N[6]C[6]O)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	N[6](C[6]C[6]O)2(OC)	C[6](C[6]C[6]HN)(N[6]C[6]O)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<3>,1|O<2>,2|H<1>}	N[6](C[6]C[6]O)2(OC){1|C<4>,1|N<3>,3|H<1>}	112.0200	1.969	2	112.0200	3.875	2	112.0200	3.875	2	112.0200	3.875	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	3:3:3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(O){1|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){2|H<1>,7|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	116.5540	0.000	1	116.5540	0.000	1	116.5540	0.000	1	116.5540	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5]C[6]H)(N[6]C[6]C)(O)	C[6](C[5]C[5]2H)(C[6]N[6]O)2(H)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[5]C[6]H)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[5]C[5]2H)(C[6]N[6]O)2(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	117.4145	0.105	2	117.4145	0.011	2	117.4145	0.011	2	115.9982	1.180	12	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	C[6](C[6]C[6,6a]2H)(C[6]N[6]O)2(H)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6,6a]2H)(C[6]N[6]O)2(H){2|C<4>,5|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	116.2660	0.165	2	116.2660	0.027	2	116.2660	0.027	2	115.9982	1.180	12	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]HN)(N[6]N[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	N[6](C[6]C[6]O)(N[6]C[6]H)(CCCH)	C[6](C[6]C[6]HN)(N[6]N[6]C)(O){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<4>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(N[6]C[6]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	114.8560	0.000	1	114.8560	0.000	1	114.8560	0.000	1	115.9982	1.180	12	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[5]H)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	N[6](C[6]C[6]O)2(CCHH)	C[6](C[6]C[6]N[5]H)(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[6](C[6]C[6]O)2(CCHH){1|C<4>,1|N<3>,3|H<1>}	117.0940	0.000	1	117.0940	0.000	1	117.0940	0.000	1	115.9982	1.180	12	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]N[6]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	115.3485	1.324	2	115.3485	1.754	2	114.9327	1.396	3	115.9982	1.180	12	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]N[6]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	114.1010	0.000	1	114.1010	0.000	1	114.9327	1.396	3	115.9982	1.180	12	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(O){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,2|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	116.0320	0.000	1	116.0320	0.000	1	116.0320	0.000	1	115.9982	1.180	12	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,3|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	115.9185	0.272	2	115.9185	0.074	2	115.9185	0.074	2	115.9982	1.180	12	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CF)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(F)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CF)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(F){1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	117.4636	0.512	5	117.4636	0.262	5	117.3723	0.260	6	117.7370	0.622	10	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CF)(N[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(COO)(F)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CF)(N[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(COO)(F){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,3|C<3>}	116.9160	0.000	1	116.9160	0.000	1	117.3723	0.260	6	117.7370	0.622	10	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(H){1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	119.0150	0.393	2	119.0150	0.155	2	119.0150	0.155	2	117.7370	0.622	10	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HN)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	117.6240	0.000	1	117.6240	0.000	1	117.6240	0.000	1	117.7370	0.622	10	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|H<1>}	117.4820	0.000	1	117.4820	0.000	1	117.4820	0.000	1	117.7370	0.622	10	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	4:3:3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]HN)(N[6]C[6]N)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCC)	C[6](C[6]C[6]HN)(N[6]C[6]N)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCC){1|C<4>,1|N<3>,3|H<1>}	117.7060	0.000	1	117.7060	0.000	1	117.7060	0.000	1	117.7060	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](CC[5,5]HH)(C[6]N[6]O)(N[6]C[6]H)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](CC[5,5]HH)(C[6]N[6]O)(N[6]C[6]H)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	117.8440	0.386	2	117.8440	0.149	2	117.8440	0.149	2	116.5257	2.865	17	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[4]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[4]C[6]H)(N[6]C[6]C)(O)	C[6](C[4]C[4]2C)(C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[4]C[6]H)(N[6]C[6]C)(O){2|C<4>,2|H<1>,3|C<3>}	C[6](C[4]C[4]2C)(C[6]C[6]H)(C[6]N[6]O)(H){1|H<1>,2|C<3>,4|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	117.0560	0.000	1	117.0560	0.000	1	117.0560	0.000	1	116.5257	2.865	17	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(O)	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]O)(COO)(H)	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]O)(COO)(H){2|C<3>,4|C<4>}	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	112.8260	0.000	1	112.8260	0.000	1	112.8260	0.000	1	116.5257	2.865	17	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCH)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCH)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	115.9405	0.381	2	115.9405	0.145	2	115.9405	0.145	2	116.5257	2.865	17	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6]S)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6]S)(O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]O)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	117.7550	0.472	2	117.7550	0.223	2	117.7550	0.223	2	116.5257	2.865	17	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]O)(COO)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]O)(COO)(H){2|C<3>,4|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	118.3360	0.000	1	118.3360	0.000	1	117.9410	3.937	3	116.5257	2.865	17	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCH)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	115.7890	0.000	1	115.7890	0.000	1	117.9410	3.937	3	116.5257	2.865	17	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,3|H<1>}	119.6980	0.000	1	119.6980	0.000	1	117.9410	3.937	3	116.5257	2.865	17	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]N[6]O)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]N[6]O)(H){2|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,3|H<1>}	117.2820	0.000	1	117.2820	0.000	1	115.5892	1.519	4	116.5257	2.865	17	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	C[6](C[6]C[6]N[6]C)(C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]2C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[6]N[6]C)(C[6]C[6]H)(C[6]N[6]O)(H){2|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[6]2C)(C[6]C[6]O)(CH3){1|C<4>,3|C<3>,3|H<1>}	115.7260	0.000	1	115.7260	0.000	1	115.5892	1.519	4	116.5257	2.865	17	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	C[6](C[6]C[6]N[6]H)(C[6]C[6]C)(C[6]N[6]O)(H)	N[6](C[6]C[6]2H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]C)(C[6]N[6]O)(H){2|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[6]2H)(C[6]C[6]O)(CH3){1|C<4>,3|C<3>,3|H<1>}	114.6745	0.029	2	114.6745	0.001	2	115.5892	1.519	4	116.5257	2.865	17	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HN)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCC)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)	C[6](C[6]C[6]HN)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCC)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH){1|C<4>,1|N<3>,3|H<1>}	116.7460	0.000	1	116.7460	0.000	1	116.7460	0.000	1	116.5257	2.865	17	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-3:S-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[3,6]S)(O)	C[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]N[6]O)(H)	N[6](C[3,6]C[3,6]C[6a]O[3])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6a]C[6]H)(N[6]C[3,6]S)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	N[6](C[3,6]C[3,6]C[6a]O[3])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	115.0500	0.000	1	115.0500	0.000	1	115.0500	0.000	1	116.5257	2.865	17	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:2:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6a]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NC)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]N)(N[6]C[6]H)(O){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NC){4|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	116.1260	0.000	1	116.1260	0.000	1	116.1260	0.000	1	116.1260	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:3:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6a]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:S-4:	C[6](C[6]C[6a]C[6]N)(N[6]C[6,6a]S)(O)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O)(NCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6a]C[6]N)(N[6]C[6,6a]S)(O){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O)(NCH){1|S<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	116.1990	0.000	1	116.1990	0.000	1	116.1990	0.000	1	116.1320	0.009	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:3:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6a]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]N)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NCH)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCHH)	C[6](C[6]C[6a]C[6]N)(N[6]C[6]C)(O){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NCH){1|C<4>,3|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	116.0650	0.000	1	116.0650	0.000	1	116.0650	0.000	1	116.1320	0.009	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2C)(N[6]C[6]H)(O)	C[6](C[6]C[6]2H)(C[6]N[6]O)2(CCHH)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]2C)(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6](C[6]C[6]2H)(C[6]N[6]O)2(CCHH){1|C<3>,2|C<4>,6|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	118.3338	0.324	6	118.3338	0.105	6	118.3338	0.105	6	118.3338	0.105	6	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	3:3:3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H)	N[6](C[6]C[6]C)(C[6]C[6]O)(COO)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]O)(COO){2|C<4>,2|H<1>}	115.0750	0.000	1	115.0750	0.000	1	115.0750	0.000	1	115.0750	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]CH)(N[6]C[6,6a]C)(O)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]O)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[5,6]CH)(N[6]C[6,6a]C)(O){1|C<4>,3|C<3>}	C[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]O)(CH3)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	115.8080	0.000	1	115.8080	0.000	1	115.8080	0.000	1	117.3810	2.684	17	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[5,6]CH)(N[6]C[6]S)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(CC[6a]HH)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[5,6]CH)(N[6]C[6]S)(O){4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	117.5070	0.000	1	117.5070	0.000	1	117.5070	0.000	1	117.3810	2.684	17	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:S-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]HS)(N[6]C[6]C)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(SC[6a]OO)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[5,6]HS)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(SC[6a]OO)(H){1|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH){1|S<4>,2|C<4>,2|H<1>}	117.4880	0.000	1	117.4880	0.000	1	117.4880	0.000	1	117.3810	2.684	17	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:S-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]HS)(N[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(SC[6a]OO)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6,6]HS)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(SC[6a]OO)(H){1|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CC[6a]HH){1|S<4>,2|C<4>,2|H<1>}	116.7420	0.000	1	116.7420	0.000	1	116.7420	0.000	1	117.3810	2.684	17	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(CH3)(H)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(CH3)(H){1|O<2>,2|C<3>,3|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|H<1>,3|C<4>}	115.9140	0.382	2	115.9140	0.146	2	117.7474	2.476	11	117.3810	2.684	17	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H)	N[6](C[6]C[6]O)2(CC[6a]HH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]O)2(CC[6a]HH){2|C<4>,3|H<1>}	118.8750	0.718	6	118.8750	0.516	6	117.7474	2.476	11	117.3810	2.684	17	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(H)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|H<1>,3|C<4>}	116.7143	1.496	3	116.7143	2.239	3	117.7474	2.476	11	117.3810	2.684	17	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]S)(O){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO){2|C<4>,2|H<1>}	113.9370	0.000	1	113.9370	0.000	1	113.9370	0.000	1	117.3810	2.684	17	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HS)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(H)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]HS)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	118.7740	0.000	1	118.7740	0.000	1	118.7740	0.000	1	117.3810	2.684	17	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(N[6]C[6,6]H)(O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CH3)(H)	N[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]H)(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	N[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,4|C<4>}	118.5314	0.649	16	118.5314	0.422	16	118.5314	0.422	16	118.5772	0.431	17	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:S-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HS)(N[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(SC[6a]OO)(H)	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HS)(N[6]C[6,6]H)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(SC[6a]OO)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	119.3090	0.000	1	119.3090	0.000	1	119.3090	0.000	1	118.5772	0.431	17	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(CCHH)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){2|C<4>,3|H<1>}	120.2290	0.000	1	120.2290	0.000	1	120.2290	0.000	1	117.9546	2.759	14	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]N[6]O)(CCHH)(H)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]N[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>,2|S<2>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH){2|C<3>,2|C<4>,3|H<1>}	118.6920	0.000	1	118.6920	0.000	1	116.8090	2.972	3	117.9546	2.759	14	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCHO)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCHO)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	116.4270	0.000	1	116.4270	0.000	1	116.8090	2.972	3	117.9546	2.759	14	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CClCH)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CClCH)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	115.3080	0.000	1	115.3080	0.000	1	116.8090	2.972	3	117.9546	2.759	14	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:P-4:H-1:	C[3x6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HP)(N[6]C[3x6]C)(O)	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]N[6]O)(PO3)(H)	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6,6]HP)(N[6]C[3x6]C)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]N[6]O)(PO3)(H){1|H<1>,2|C<3>,3|C<4>}	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|P<4>,3|C<4>,4|H<1>}	118.2110	0.000	1	118.2110	0.000	1	118.2110	0.000	1	117.9546	2.759	14	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]2H)(C[6]N[6]O)(CHHO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]N[6]O)(CHHO)(H){3|H<1>,4|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	119.2930	0.000	1	119.2930	0.000	1	118.2073	3.085	7	117.9546	2.759	14	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[5a]HH)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[5a]HH)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){2|C<4>,3|H<1>}	117.8640	0.000	1	117.8640	0.000	1	118.2073	3.085	7	117.9546	2.759	14	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[6a]CH)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[6a]CH)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){2|C<4>,3|H<1>}	120.5170	0.000	1	120.5170	0.000	1	118.2073	3.085	7	117.9546	2.759	14	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCCH)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCCH)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	118.1180	0.000	1	118.1180	0.000	1	118.2073	3.085	7	117.9546	2.759	14	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H)	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	119.1730	0.000	1	119.1730	0.000	1	118.2073	3.085	7	117.9546	2.759	14	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHS)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHS)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	114.9740	0.000	1	114.9740	0.000	1	118.2073	3.085	7	117.9546	2.759	14	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)(H){1|H<1>,1|S<4>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	117.5120	0.000	1	117.5120	0.000	1	118.2073	3.085	7	117.9546	2.759	14	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HS)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HS)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,3|H<1>}	118.3630	0.000	1	118.3630	0.000	1	118.3630	0.000	1	117.9546	2.759	14	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:N[6]-3:S-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(S)	C[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]CH)(H)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]2H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(S){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]CH)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]2H){2|C<4>,3|H<1>}	116.6830	0.000	1	116.6830	0.000	1	116.6830	0.000	1	117.9546	2.759	14	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:2:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CN)(N[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(NC)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]CN)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(NC){2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	114.8190	0.000	1	114.8190	0.000	1	114.8190	0.000	1	113.9677	0.863	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:2:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CO)(N[6]C[6]H)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CO)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|O<2>,3|C<4>}	113.5420	0.799	2	113.5420	0.638	2	113.5420	0.638	2	113.9677	0.863	3	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:2:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CO)(N[6]C[6]C)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CO)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH){2|C<4>,3|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|O<2>,3|C<4>}	115.8060	0.606	3	115.8060	0.367	3	115.8775	0.265	4	115.8775	0.265	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:2:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CO)(N[6]C[6]C)(O)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(OH)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CO)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(OH){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|O<2>,3|C<4>}	116.0920	0.000	1	116.0920	0.000	1	115.8775	0.265	4	115.8775	0.265	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:3:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CN)(N[6]C[6]C)(O)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]O)(CH3)(NCH)	N[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)	C[6](C[6]C[6]CN)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]N[6]O)(CH3)(NCH){1|C<4>,3|C<3>}	N[6](C[6]C[6]O)(C[6]O[6]O)(CCHH){1|N<3>,2|C<4>}	116.4610	0.000	1	116.4610	0.000	1	116.4610	0.000	1	117.7775	3.466	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:3:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:S-4:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CS)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(CCO)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]CS)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(CCO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	119.0940	0.000	1	119.0940	0.000	1	119.0940	0.000	1	117.7775	3.466	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:3:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(COO)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(COO){1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	118.7550	0.000	1	118.7550	0.000	1	119.6363	0.628	3	119.3622	0.476	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:3:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)(COO)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)(COO){1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	120.0770	0.300	2	120.0770	0.090	2	119.6363	0.628	3	119.3622	0.476	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:3:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CN)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NCH)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CN)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NCH){1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>}	118.7420	0.000	1	118.7420	0.000	1	118.9510	0.087	2	119.3622	0.476	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:3:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CN)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NHH)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CN)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NHH){1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>}	119.1600	0.000	1	119.1600	0.000	1	118.9510	0.087	2	119.3622	0.476	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:4:	3:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|H<1>,3|C<4>}	116.1600	0.000	1	116.1600	0.000	1	116.1600	0.000	1	116.1600	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:4:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[3,6]-4:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:S-4:	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(O)	C[6](C[3,6]C[6,6a]C[3]N[3])(C[6]N[6]O)(CCHH)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(O){1|N<2>,3|C<3>}	C[6](C[3,6]C[6,6a]C[3]N[3])(C[6]N[6]O)(CCHH)(CH3){1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	116.4370	0.303	3	116.4370	0.092	3	116.4370	0.092	3	116.2728	0.169	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:4:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]N[6]HO)(C[6]N[6]O)(CCHH)2	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]HO)(C[6]N[6]O)(CCHH)2{1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){4|C<4>}	115.7800	0.000	1	115.7800	0.000	1	115.7800	0.000	1	116.2728	0.169	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:4:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){2|H<1>,3|C<4>}	120.0020	0.000	1	120.0020	0.000	1	120.6185	0.327	4	120.3918	0.503	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:4:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH)(CCHH)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH)(CCHH){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){2|H<1>,3|C<4>}	120.4320	0.000	1	120.4320	0.000	1	120.6185	0.327	4	120.3918	0.503	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:4:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]C[6]HO)(C[6]N[6]O)(CCHH)(CCHO)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]O)(CCHH)(CCHO){1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,1|O<2>,3|C<4>}	121.0200	0.495	2	121.0200	0.245	2	120.6185	0.327	4	120.3918	0.503	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:4:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6]CC)(N[6]C[6]S)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]CC)(N[6]C[6]S)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2{1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO){2|H<1>,3|C<4>}	119.4850	0.000	1	119.4850	0.000	1	119.4850	0.000	1	120.3918	0.503	5	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	4:4:3:1:	4:3:3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H)	N[6](C[6]C[6]2H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]O)(COO){4|C<4>,4|H<1>}	114.3130	0.000	1	114.3130	0.000	1	114.3130	0.000	1	114.3130	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:2:	3:3:1:1:	4:3:3:	C[6]-4:N[6]-3:N-2:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(NS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)2	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]N)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(NS){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)2{1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]N){4|C<3>,4|H<1>}	115.9530	0.000	1	115.9530	0.000	1	115.9530	0.000	1	115.9530	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:2:	3:3:3:1:	4:3:4:	C[6]-4:N[6]-3:N-2:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(NC[6a])	C[6](C[6a]C[6a]2)(C[6]N[6]N)(N[6]C[6]C)(H)	N[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(NC[6a]){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]N)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]N)(CH3){1|C<3>,1|N<3>,3|H<1>}	118.9050	0.000	1	118.9050	0.000	1	118.9050	0.000	1	118.9050	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:2:	3:3:3:4:	3:3:1:	C[6]-4:N[6]-3:N-2:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]H)(NC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)(CH3)	N[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]H)(NC[6a]){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)(CH3){4|H<1>,5|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|C<4>,3|C<3>}	115.1090	0.000	1	115.1090	0.000	1	115.1090	0.000	1	115.1090	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:2:	3:3:4:1:	4:3:4:	C[6]-4:N[6]-3:N-2:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CCHH)(H)	N[6](C[6]C[6]HH)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]N)(CCHH){1|C<3>,1|C<4>,2|H<1>}	117.4440	0.000	1	117.4440	0.000	1	117.4440	0.000	1	117.4440	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:2:	3:4:3:4:	4:3:4:	C[6]-4:N[6]-3:S-2:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(SC)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]S)(CCHH)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(SC){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]S)(CCHH){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|C<3>,2|C<4>,2|H<1>}	121.3040	0.513	2	121.3040	0.264	2	121.3040	0.264	2	121.3040	0.264	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(NO)	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(NO){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|C<3>,3|H<1>}	N[6](C[6]C[6]N)2(H){1|C<4>,4|H<1>}	118.1457	0.191	4	118.1457	0.037	4	117.5300	1.923	5	117.3326	1.440	7	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(NS)	C[6](C[6]N[6]HP)(C[6]N[6]N)(H)2	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(NS){1|H<1>,1|N<3>,1|O<1>,1|P<4>}	C[6](C[6]N[6]HP)(C[6]N[6]N)(H)2{1|C<3>,1|H<1>,1|S<4>}	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<4>,1|S<4>,2|H<1>}	115.0670	0.000	1	115.0670	0.000	1	117.5300	1.923	5	117.3326	1.440	7	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:2:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:S-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(SCu)	C[6](C[6]C[6]HH)(C[6]N[6]S)(H)2	N[6](C[6]C[6]O)(C[6]C[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(SCu){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]S)(H)2{1|C<3>,3|H<1>}	N[6](C[6]C[6]O)(C[6]C[6]S)(H){1|C<4>,4|H<1>}	116.8390	0.515	2	116.8390	0.265	2	116.8390	0.265	2	117.3326	1.440	7	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:2:	4:3:4:1:	4:3:4:	C[6]-4:N[6]-3:N-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS)	C[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)(H)	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH){2|C<4>,3|H<1>}	119.1000	0.000	1	119.1000	0.000	1	119.1000	0.000	1	119.1000	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:3:	3:2:1:1:	3:3:4:	C[6]-4:N[6]-3:C-3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(CHH)	C[6](C[6]N[6]C)(O[6]C[6])(H)2	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CHH){1|C<4>,1|O<1>}	C[6](C[6]N[6]C)(O[6]C[6])(H)2{2|C<3>,2|C<4>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	114.2380	0.576	2	114.2380	0.331	2	114.2380	0.331	2	114.2380	0.331	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:3:	3:3:1:1:	4:3:4:	C[6]-4:N[6]-3:C-3:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(CHH)	C[6](N[6]C[6a]C[6])(C[6]N[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]N[6]HH)(N[6]C[6]S)(CHH){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]C)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|C<3>,1|N<3>,3|H<1>}	110.1090	0.000	1	110.1090	0.000	1	110.1090	0.000	1	110.1090	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:3:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]H){2|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6]N[6])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]2)(H){1|C<4>,2|C<3>,4|H<1>}	118.1760	0.000	1	118.1760	0.000	1	118.1760	0.000	1	118.1760	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:3:	3:4:3:1:	3:2:2:	C[6]-4:N[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:O-2:	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CHH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(O[6]C[6])(OSi)	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CHH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	N[6](C[6]C[6]C)(O[6]C[6])(OSi){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	110.6240	0.000	2	110.6240	0.000	2	110.6240	0.000	2	110.6240	0.000	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:3:	4:2:3:1:	3:3:1:	C[6]-4:N[6]-3:C-3:	C[5]-4:S[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5]S[6]H)(N[6]C[6,6a]H)(CCH)	C[6](C[5]C[5,6a]C[5]2)(S[6]C[6,6a])(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[5]S[6]H)(N[6]C[6,6a]H)(CCH){1|C<4>,4|C<3>}	C[6](C[5]C[5,6a]C[5]2)(S[6]C[6,6a])(C[6]N[6]C)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	117.5780	0.000	1	117.5780	0.000	1	118.0733	0.646	6	118.0733	0.646	6	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:3:	4:2:3:1:	3:3:1:	C[6]-4:N[6]-3:C-3:	C[5]-4:S[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5]S[6]H)(N[6]C[6,6a]H)(CCH)	C[6](C[5]C[5,6a]C[5a]C[5])(S[6]C[6,6a])(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[5]S[6]H)(N[6]C[6,6a]H)(CCH){5|C<3>}	C[6](C[5]C[5,6a]C[5a]C[5])(S[6]C[6,6a])(C[6]N[6]C)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	118.1724	0.857	5	118.1724	0.734	5	118.0733	0.646	6	118.0733	0.646	6	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:3:	4:3:1:1:	3:2:1:	C[6]-4:N[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]HH)(N[6]N[6]H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	N[6](C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]C[6]HH)(N[6]N[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]C)(N[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	116.0800	0.000	1	116.0800	0.000	1	116.0800	0.000	1	116.0800	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:N[6]-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCH)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	118.3110	0.000	1	118.3110	0.000	1	118.3110	0.000	1	119.8730	4.880	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:N[6]-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(NHH)	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]N)(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(NHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]C[6]HH)(C[6]C[6]N)(O){1|C<4>,1|O<2>,3|H<1>}	121.4350	0.000	1	121.4350	0.000	1	121.4350	0.000	1	119.8730	4.880	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:3:	4:3:2:1:	3:3:4:	C[6]-4:N[6]-3:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC[6a]H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	114.2070	0.000	1	114.2070	0.000	1	114.0965	0.024	2	114.0965	0.024	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:3:	4:3:2:1:	3:3:4:	C[6]-4:N[6]-3:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHH)	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H){1|C<4>,1|S<4>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	113.9860	0.000	1	113.9860	0.000	1	114.0965	0.024	2	114.0965	0.024	2	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:3:	4:3:2:1:	4:3:1:	C[6]-4:N[6]-3:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]HO)(N[6]C[6]O)(COO)	C[6](C[6]O[6]CC)(C[6]N[6]C)(OC)(H)	N[6](C[6]O[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HO)(N[6]C[6]O)(COO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CC)(C[6]N[6]C)(OC)(H){1|C<4>,1|O<1>}	N[6](C[6]O[6]HH)(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<2>}	120.5400	0.000	1	120.5400	0.000	1	120.5400	0.000	1	120.5400	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:3:	4:3:4:4:	3:3:4:	C[6]-4:N[6]-3:C-3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(CHH)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCHH)2	N[6](C[6]C[6]C)(C[6]O[6]O)(CCCH)	C[6](C[6]C[6]CC)(N[6]C[6]C)(CHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCHH)2{1|C<4>,3|C<3>}	N[6](C[6]C[6]C)(C[6]O[6]O)(CCCH){3|C<4>}	113.1140	0.000	1	113.1140	0.000	1	113.1140	0.000	1	113.1140	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:4:	3:4:3:1:	3:2:1:	C[6]-4:N[6]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	N[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	123.0510	0.000	1	123.0510	0.000	1	123.0722	0.017	4	123.0722	0.017	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:4:	3:4:3:1:	3:2:1:	C[6]-4:N[6]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	N[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.1710	0.000	2	123.1710	0.000	2	123.0722	0.017	4	123.0722	0.017	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:4:	3:4:3:1:	3:2:1:	C[6]-4:N[6]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]N[6]C)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	N[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.8960	0.000	1	122.8960	0.000	1	123.0722	0.017	4	123.0722	0.017	4	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)	C[6](C[6]C[6]HO)(C[6]N[6]C)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	120.9080	0.000	1	120.9080	0.000	1	120.9080	0.000	1	120.9080	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:4:	4:3:2:1:	4:3:1:	C[6]-4:N[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO)	C[6](C[6]C[6]HO)(C[6]N[6]C)(OC)(H)	N[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]C)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,2|H<1>,2|O<2>}	123.7200	0.000	1	123.7200	0.000	1	123.7200	0.000	1	123.7200	0.000	1	117.2462	3.205	1334	117.1969	4.201	1795
762	466	856	6:SP2_SP3_SP3	C[3x6]	C[6,6]	N[6,6]	4:4:3:	3:3:4:1:	4:3:4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:	C[3x6]-3:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-3:C-4:	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6])(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	N[6,6](C[6,6]C[3x6]HH)(C[3x6]C[6,6]2)(CCHH)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6])(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	N[6,6](C[6,6]C[3x6]HH)(C[3x6]C[6,6]2)(CCHH){1|C<3>,3|C<4>,3|H<1>}	113.4500	0.000	1	113.4500	0.000	1	113.4500	0.000	1	113.4500	0.000	1	110.5740	16.543	2	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[3x6]	C[6,6]	N[6,6]	4:4:3:	3:4:4:1:	4:3:4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:	C[3x6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[3x6]-3:C-4:	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]HH)(CCHH)(H)	N[6,6](C[6,6]C[3x6]HH)(C[3x6]C[6,6]2)(CCHH)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]HH)(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6]C[3x6]HH)(C[3x6]C[6,6]2)(CCHH){1|C<3>,3|C<4>,3|H<1>}	107.6980	0.000	1	107.6980	0.000	1	107.6980	0.000	1	107.6980	0.000	1	110.5740	16.543	2	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6,6]	C[3x6]	N[6,6]	4:3:1:	3:3:3:3:	4:3:4:	C[3x6]-4:N[6,6]-3:O-1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2)	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O){1|N<3>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	113.3340	0.160	2	113.3340	0.026	2	113.3340	0.026	2	113.3340	0.026	2	113.3340	0.026	2	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:3:3:	4:3:2:1:	4:4:3:	C[6,6]-4:N[3x6]-3:C-3:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[5a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(OH)(H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(OH)(H){2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<2>,5|H<1>}	114.2850	0.245	3	114.2850	0.060	3	114.2850	0.060	3	114.2850	0.060	3	114.2850	0.060	3	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6,6]	N[6]	4:3:1:	3:4:3:1:	3:4:1:	C[6,6]-4:N[6]-3:O-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,5|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	119.2450	0.000	1	119.2450	0.000	1	119.2450	0.000	1	119.2450	0.000	1	115.2005	14.104	8	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:1:	3:4:2:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-3:C-4:O[6]-2:	C[6](C[6,6]C[6,6]C[6]H)(N[6]O[6]C)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)(CC[6a]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]O[6]C)(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6]O)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6]O)(CC[6a]HH)(O[6]C[6]){2|H<1>,3|C<4>}	111.4650	0.000	1	111.4650	0.000	1	111.4650	0.000	1	111.4650	0.000	1	115.2005	14.104	8	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:1:	3:4:4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH){2|C<4>,3|H<1>}	115.0255	0.134	4	115.0255	0.018	4	115.0255	0.018	4	115.0255	0.018	4	115.2005	14.104	8	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6,6]	N[6]	4:3:1:	4:4:3:4:	4:3:4:	C[6,6]-4:N[6]-3:O-1:	C[5,5,3x6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[5,5,3x6]C[6]C)(N[6]C[6]C)(O)	C[6,6](C[5,5,3x6]C[5,5,6,6]N[5,6,6]O[5,5])(C[6]C[6]HH)(C[6]N[6]O)(CH3)	N[6](C[6]C[5,5,6,6]CH)(C[6]C[6,6]O)(CC[6a]HH)	C[6](C[6,6]C[5,5,3x6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[5,5,3x6]C[5,5,6,6]N[5,6,6]O[5,5])(C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<3>,2|H<1>,5|C<4>}	N[6](C[6]C[5,5,6,6]CH)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,4|C<4>}	121.2340	0.000	1	121.2340	0.000	1	121.2340	0.000	1	121.2340	0.000	1	115.2005	14.104	8	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6,6]	N[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6,6]-4:N[6]-3:C-3:	N[6,6]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(CCH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(CCH){2|H<1>,3|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]C)(H){1|H<1>,1|S<4>,4|C<3>}	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	109.5580	0.000	1	109.5580	0.000	1	109.5580	0.000	1	109.5580	0.000	1	115.2005	14.104	8	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:4:1:	3:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	N[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	113.1120	0.000	1	113.1120	0.000	1	113.1120	0.000	1	113.1120	0.000	1	116.7400	5.529	9	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:3:4:1:	4:2:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6,6]-4:O[6]-2:C[6]-3:	C[6](N[6,6]C[6,6]O[6])(C[6]N[6]CH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HS)(H)	N[6,6](C[6,6]C[6]2S)(O[6]C[6,6])(C[6]C[6]O)	C[6](N[6,6]C[6,6]O[6])(C[6]N[6]CH)(O){1|C<3>,1|S<2>,3|C<4>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HS)(H){1|C<4>,1|O<1>,1|O<2>}	N[6,6](C[6,6]C[6]2S)(O[6]C[6,6])(C[6]C[6]O){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	114.1660	0.000	1	114.1660	0.000	1	114.1660	0.000	1	114.1660	0.000	1	116.7400	5.529	9	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6,6]	3:4:1:	3:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	119.5360	0.000	1	119.5360	0.000	1	119.5360	0.000	1	119.5360	0.000	1	116.7400	5.529	9	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6,6]	3:4:1:	4:3:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,3x6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6,6]HH)(O)	C[6](C[6,6]N[5,6,6]C[6]O)(C[6]N[6,6]O)(H)2	N[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6,6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]N[5,6,6]C[6]O)(C[6]N[6,6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	N[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	119.0940	0.000	1	119.0940	0.000	1	119.0940	0.000	1	117.5955	4.491	2	116.7400	5.529	9	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6,6]	3:4:1:	4:3:1:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]O)(H)2	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]O)(H)2{3|H<1>,4|C<4>}	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	116.0970	0.000	1	116.0970	0.000	1	116.0970	0.000	1	117.5955	4.491	2	116.7400	5.529	9	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6,6]	3:4:1:	4:3:4:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O)	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H){3|C<4>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	118.6790	0.000	1	118.3030	0.283	2	118.0423	0.345	3	118.0423	0.345	3	116.7400	5.529	9	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6,6]	3:4:1:	4:3:4:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O)	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H){3|C<4>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|C<4>,4|H<1>}	117.9270	0.000	1	118.3030	0.283	2	118.0423	0.345	3	118.0423	0.345	3	116.7400	5.529	9	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6,6]	3:4:1:	4:3:4:1:	4:4:3:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O)	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H)	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H){3|C<4>}	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|H<1>,4|C<4>}	117.5210	0.000	1	117.5210	0.000	1	118.0423	0.345	3	118.0423	0.345	3	116.7400	5.529	9	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6,6]	3:4:2:	4:3:1:1:	4:4:3:	N[6,6]-3:C[6]-4:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(NC[6a])	C[6](C[6]C[6,6]HH)(C[6]N[6,6]N)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(NC[6a]){2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]N)(H)2{1|H<1>,3|C<4>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]N){2|C<4>,5|H<1>}	114.5280	0.000	1	114.5280	0.000	1	114.5280	0.000	1	114.5280	0.000	1	116.7400	5.529	9	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6]	3:4:1:	2:3:1:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(O){4|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|Cl<1>,1|N<2>,1|O<2>,3|H<1>,4|C<3>}	112.9710	0.000	1	112.9710	0.000	1	112.9710	0.000	1	112.9710	0.000	1	115.3263	2.819	21	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O){2|C<4>,4|C<3>}	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2{1|C<3>,1|N<3>,1|O<1>}	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	113.5510	0.000	1	113.5510	0.000	1	113.5510	0.000	1	113.5510	0.000	1	115.3263	2.819	21	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	3:3:4:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-3:C-4:	C[6](N[6]N[5a,6]C)(C[6]C[6]HH)(O)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH)	C[6](N[6]N[5a,6]C)(C[6]C[6]HH)(O){1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH){2|C<4>,2|H<1>,2|N<2>}	116.6160	0.000	1	116.6160	0.000	1	116.6160	0.000	1	116.6160	0.000	1	115.3263	2.819	21	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6]	3:4:1:	4:3:1:1:	4:3:3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[5,6,6]C[6a])(C[6]C[6]HH)(O)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	N[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[5,6,6]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{1|C<3>,3|C<4>}	N[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){3|H<1>,4|C<3>,5|C<4>}	116.0200	0.000	1	116.0200	0.000	1	116.0200	0.000	1	116.0200	0.000	1	115.3263	2.819	21	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6]	3:4:3:	4:3:1:1:	3:3:4:	N[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(CC[6a]H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]N[6]C)(H)2{1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	113.7930	0.000	1	113.7930	0.000	1	112.8717	0.642	3	112.8717	0.642	3	115.3263	2.819	21	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6]	3:4:3:	4:3:1:1:	3:3:4:	N[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(CC[6a]P[6])	C[6](C[6]C[6,6a]CO)(C[6]N[6]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(CC[6a]P[6]){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CO)(C[6]N[6]C)(H)2{1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	112.4110	0.107	2	112.4110	0.012	2	112.8717	0.642	3	112.8717	0.642	3	115.3263	2.819	21	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6]	4:3:1:	3:2:4:4:	4:3:2:	C[6]-4:N[6]-3:O-1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:O-2:	C[6](C[6]O[6]CC)(N[6]C[6]O)(O)	C[6](C[6]N[6]O)(O[6]N[6])(CH3)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(OC)	C[6](C[6]O[6]CC)(N[6]C[6]O)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]O)(O[6]N[6])(CH3)2{1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>}	114.9030	0.000	1	114.9030	0.000	1	114.9030	0.000	1	114.9030	0.000	1	115.3263	2.819	21	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:2:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6a]HH)(N[6]C[5,6,6]O)(O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2	N[6](C[5,6,6]C[5,6,6a]C[5,6]C[6])(C[6]C[6]O)(OC)	C[6](C[6]C[6,6a]HH)(N[6]C[5,6,6]O)(O){2|C<3>,2|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[5,6,6]C[5,6,6a]C[5,6]C[6])(C[6]C[6]O)(OC){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	117.2210	0.000	1	117.2210	0.000	1	117.2210	0.000	1	117.1917	0.082	3	115.3263	2.819	21	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:2:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6a]HH)(N[6]C[5,6]O)(O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(OC)	C[6](C[6]C[6,6a]HH)(N[6]C[5,6]O)(O){2|C<3>,2|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(OC){1|O<2>,2|C<3>,4|H<1>}	116.8910	0.000	1	117.1770	0.164	2	117.1770	0.164	2	117.1917	0.082	3	115.3263	2.819	21	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:2:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6a]HH)(N[6]C[5,6]O)(O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(OC)	C[6](C[6]C[6,6a]HH)(N[6]C[5,6]O)(O){2|C<3>,2|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2{1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(OC){1|O<2>,2|C<3>,4|H<1>}	117.4630	0.000	1	117.1770	0.164	2	117.1770	0.164	2	117.1917	0.082	3	115.3263	2.819	21	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:3:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-3:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO){2|H<1>,4|C<3>}	116.2960	0.488	2	116.2960	0.238	2	116.2960	0.238	2	116.2960	0.238	2	115.3263	2.819	21	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	117.0450	0.000	1	117.0450	0.000	1	117.0450	0.000	1	117.0450	0.000	1	115.3263	2.819	21	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:2:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]N[6]CH)(N[6]C[6]O)(O)	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	C[6](C[6]N[6]CH)(N[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	116.6710	0.000	1	116.6710	0.000	1	116.6710	0.000	1	116.6710	0.000	1	115.3263	2.819	21	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6]	4:3:1:	3:4:3:4:	4:3:4:	C[6]-4:N[6]-3:O-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	116.7010	0.000	1	116.7010	0.000	1	116.7010	0.000	1	116.7010	0.000	1	115.3263	2.819	21	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]N[6]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	114.0810	0.000	1	114.0810	0.000	1	114.0810	0.000	1	113.6685	0.340	2	115.3263	2.819	21	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	3:3:4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,3|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	113.2560	0.000	1	113.2560	0.000	1	113.2560	0.000	1	113.6685	0.340	2	115.3263	2.819	21	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:3:1:	4:3:3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(COO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,3|H<1>}	115.3970	0.000	1	115.3970	0.000	1	115.3970	0.000	1	115.3970	0.000	1	115.3263	2.819	21	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:4:	4:3:2:	C[6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-3:O-2:	C[6](C[6]C[5,6]CC)(N[6]C[5,6]O)(O)	C[6](C[5,6]C[3,5]O[5,6]O)(C[6]N[6]O)(CH3)2	N[6](C[5,6]C[3,5]O[5,6]C)(C[6]C[6]O)(OC)	C[6](C[6]C[5,6]CC)(N[6]C[5,6]O)(O){2|O<2>,3|C<4>}	C[6](C[5,6]C[3,5]O[5,6]O)(C[6]N[6]O)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	N[6](C[5,6]C[3,5]O[5,6]C)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,4|C<4>}	116.0900	0.000	1	116.0900	0.000	1	115.9295	0.052	2	115.9295	0.052	2	115.3263	2.819	21	115.2175	6.590	45
762	466	856	6:SP2_SP3_SP3	C[6]	C[6]	N[6]	4:3:1:	4:3:4:4:	4:3:2:	C[6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-3:O-2:	C[6](C[6]C[5,6]CC)(N[6]C[5,6]O)(O)	C[6](C[5,6]O[5,6]C[5]O)(C[6]N[6]O)(CH3)2	N[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(OC)	C[6](C[6]C[5,6]CC)(N[6]C[5,6]O)(O){2|O<2>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]N[6]O)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,4|C<4>}	115.7690	0.000	1	115.7690	0.000	1	115.9295	0.052	2	115.9295	0.052	2	115.3263	2.819	21	115.2175	6.590	45