818	466	478	0:SP2_SP3_SP3	C[5,6]	C[6]	C[4,5]	4:3:4:	3:4:1:1:	4:3:4:2:	C[4,5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[4,5]-4:C[5,6]-3:C[4]-4:O[5]-2:	C[5,6](C[4,5]C[4,5]C[4]O[5])(C[5,6]C[4,6]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[4,6]HH)(H)2	C[4,5](C[4,5]C[5,6]C[4]O[5])(C[5,6]C[5,6]C[6])(C[4]C[4]CH)(O[5]C[5])	C[5,6](C[4,5]C[4,5]C[4]O[5])(C[5,6]C[4,6]C[5])(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[4,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[4,5](C[4,5]C[5,6]C[4]O[5])(C[5,6]C[5,6]C[6])(C[4]C[4]CH)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	126.9330	0.000	1	126.9330	0.000	1	128.1065	2.754	2	128.1065	2.754	2	128.1065	2.754	2	128.1065	2.754	2
818	466	478	0:SP2_SP3_SP3	C[5,6]	C[6]	C[4,5]	4:3:4:	3:4:1:1:	4:3:4:2:	C[4,5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[4,5]-4:C[5,6]-3:C[4]-4:O[5]-2:	C[5,6](C[4,5]C[4,5]C[4]O[5])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[6]HH)(H)2	C[4,5](C[4,5]C[5,6]C[4]O[5])(C[5,6]C[5,6]C[6])(C[4]C[4]CH)(O[5]C[5])	C[5,6](C[4,5]C[4,5]C[4]O[5])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[4,5](C[4,5]C[5,6]C[4]O[5])(C[5,6]C[5,6]C[6])(C[4]C[4]CH)(O[5]C[5]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	129.2800	0.000	1	129.2800	0.000	1	128.1065	2.754	2	128.1065	2.754	2	128.1065	2.754	2	128.1065	2.754	2
818	466	478	6:SP2_SP3_SP3	C[5,6]	C[6]	C[4,5,6]	4:4:3:	3:4:1:1:	4:4:3:2:	C[4,5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[4,5,6]-4:C[4,6]-4:C[5,6]-3:O[5]-2:	C[5,6](C[4,5,6]C[4,5,6]C[4,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C)	C[6](C[5,6]C[4,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[4,5,6](C[4,5,6]C[4,6]C[5,6]O[5])(C[4,6]C[4,6]C[5,6]H)(C[5,6]C[5]C[6])(O[5]C[5])	C[5,6](C[4,5,6]C[4,5,6]C[4,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[4,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,6|C<4>}	C[4,5,6](C[4,5,6]C[4,6]C[5,6]O[5])(C[4,6]C[4,6]C[5,6]H)(C[5,6]C[5]C[6])(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>,6|C<4>}	121.4505	0.045	2	121.4505	0.002	2	121.4505	0.002	2	121.4505	0.002	2	121.4505	0.002	2	121.4505	0.002	2
818	466	486	0:SP2_SP3_SP3	C[5,6]	C[6]	C[3,5]	3:4:4:	3:4:1:1:	3:4:4:1:	C[5,6,6]-3:C[3,5]-4:C[6]-4:	C[5,6]-3:C[6,6]-4:H-1:H-1:	C[5,6]-3:C[3,5]-4:C[3]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH)	C[6](C[5,6]C[5,6,6]C[3,5])(C[6,6]C[5,6]C[6,6]H)(H)2	C[3,5](C[5,6]C[5,6,6]C[6])(C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH){5|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[3,5])(C[6,6]C[5,6]C[6,6]H)(H)2{2|C<3>,2|H<1>,6|C<4>}	C[3,5](C[5,6]C[5,6,6]C[6])(C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(H){2|H<1>,4|C<4>}	124.2780	0.000	1	124.2780	0.000	1	124.2780	0.000	1	124.2780	0.000	1	124.2780	0.000	1	124.0405	0.113	2
818	466	486	0:SP2_SP3_SP3	C[5]	C[6]	C[3,5,6,6]	4:3:4:	3:4:4:1:	4:4:4:3:	C[3,5,6,6]-4:C[5]-3:C[6]-4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[3,5,6]-4:C[3,6]-4:C[3x6]-4:C[5]-3:	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[3x6])(C[5]C[5]C[6])(C[6]C[6]2H)	C[6](C[5]C[3,5,6,6]C[5])(C[6]C[6,6]HH)2(H)	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[3x6]C[6,6]2H)(C[5]C[5]C[6])	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[3x6])(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,7|H<1>,8|C<4>}	C[6](C[5]C[3,5,6,6]C[5])(C[6]C[6,6]HH)2(H){1|C<3>,2|H<1>,7|C<4>}	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[3x6]C[6,6]2H)(C[5]C[5]C[6]){1|C<3>,5|C<4>,9|H<1>}	123.8030	0.000	1	123.8030	0.000	1	123.8030	0.000	1	123.8030	0.000	1	123.8030	0.000	1	124.0405	0.113	2
818	466	486	6:SP2_SP3_SP3	C[5,6]	C[6,6]	C[3,5,6]	4:4:3:	3:4:4:4:	3:4:4:4:	C[3,5,6]-4:C[6,6]-4:C[5]-3:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[5,6]-3:C[3,5]-4:C[3]-4:C[6]-4:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5]H)	C[6,6](C[5,6]C[3,5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3,5,6](C[5,6]C[6,6]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[6]C[6]HH)	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5]H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[3,5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[3,5,6](C[5,6]C[6,6]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[6]C[6]HH){1|O<1>,3|C<4>,3|H<1>}	119.1940	0.000	1	119.1940	0.000	1	119.1940	0.000	1	119.1940	0.000	1	119.1940	0.000	1	119.1940	0.000	1
818	466	542	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5,5]	3:3:4:	3:4:1:1:	3:3:2:	N[5,5]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5,5]-3:P[5]-2:	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6])	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,2|P<2>}	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6]){2|H<1>,4|C<4>}	119.6455	1.105	4	119.4942	1.030	5	119.4942	1.030	5	119.4942	1.030	5	119.6860	1.045	6	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5,5]	3:3:4:	3:4:1:1:	3:3:2:	N[5,5]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5,5]-3:P[5]-2:	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6])	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH){1|Sn<3>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<2>,1|P<3>,2|H<1>}	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6]){1|Sn<3>,2|H<1>,4|C<4>}	118.8890	0.000	1	119.4942	1.030	5	119.4942	1.030	5	119.4942	1.030	5	119.6860	1.045	6	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5,5]	3:3:4:	3:4:1:1:	3:3:3:	N[5,5]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5,5]-3:P[5]-3:	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6]Sn)	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH){1|Sn<3>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<2>,1|P<3>,2|H<1>}	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6]Sn){2|H<1>,4|C<4>}	120.6450	0.000	1	120.6450	0.000	1	120.6450	0.000	1	120.6450	0.000	1	119.6860	1.045	6	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH){2|O<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	124.0310	0.000	1	124.0310	0.000	1	124.0310	0.000	1	127.0635	1.250	11	126.2002	7.994	40	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Co)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH){1|Co<5>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Co){2|H<1>,3|C<3>,4|C<4>}	127.7650	0.956	2	127.7650	0.914	2	127.3668	0.265	10	127.0635	1.250	11	126.2002	7.994	40	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Fe)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH){1|Fe<3>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Fe){2|H<1>,3|C<3>,4|C<4>}	127.2673	0.392	8	127.2673	0.154	8	127.3668	0.265	10	127.0635	1.250	11	126.2002	7.994	40	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CC){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	122.5310	0.000	1	122.5310	0.000	1	124.5215	7.924	2	124.5215	7.924	2	126.2002	7.994	40	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]N[6]H)(H)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]N[6]H)(H)2{2|C<4>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	126.5120	0.000	1	126.5120	0.000	1	124.5215	7.924	2	124.5215	7.924	2	126.2002	7.994	40	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]H)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	N[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]C[6])(H)	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	123.1370	0.000	1	123.1370	0.000	1	123.1370	0.000	1	123.1370	0.000	1	126.2002	7.994	40	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	123.6810	0.522	2	123.6810	0.272	2	123.2820	0.235	5	123.2820	0.235	5	126.2002	7.994	40	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	122.9160	0.000	1	122.9160	0.000	1	123.2820	0.235	5	123.2820	0.235	5	126.2002	7.994	40	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	N[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH){1|O<1>,2|O<2>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	123.0660	0.352	2	123.0660	0.124	2	123.2820	0.235	5	123.2820	0.235	5	126.2002	7.994	40	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:4:3:	3:2:1:1:	3:3:4:	N[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](N[5,6]C[6,6]C[5])(C[6]O[6]HH)(N[5]C[5]C)	C[6](C[5,6]N[5,6]N[5])(O[6]C[6,6])(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CH3)	C[5,6](N[5,6]C[6,6]C[5])(C[6]O[6]HH)(N[5]C[5]C){2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(O[6]C[6,6])(H)2{1|C<4>,4|C<3>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CH3){1|C<3>,1|O<2>,3|H<1>}	131.2960	0.000	1	131.2960	0.000	1	131.2960	0.000	1	131.2960	0.000	1	126.2002	7.994	40	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:4:3:	3:3:1:1:	3:3:4:	N[5,6]-3:C[6]-4:N[5]-3:	N[5,6]-3:C[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[6]N[5,6]HH)(N[5]C[5,6a]C)	C[6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]N[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)	C[5,6](N[5,6]C[5,6a]C[6])(C[6]N[5,6]HH)(N[5]C[5,6a]C){2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]N[5])(H)2{1|N<3>,2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	125.9880	0.000	1	125.9880	0.000	1	125.9880	0.000	1	125.9880	0.000	1	126.2002	7.994	40	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:4:3:	3:3:3:1:	3:3:4:	N[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:N[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]N[6]H)(N[5]C[5]C)	C[6](C[5,6]N[5,6]N[5])(N[6]C[6,6]H)(C[6]C[6]2)(H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CCCH)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]N[6]H)(N[5]C[5]C){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]N[5])(N[6]C[6,6]H)(C[6]C[6]2)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	128.1130	3.012	2	128.1130	9.074	2	128.1130	9.074	2	128.1130	9.074	2	126.2002	7.994	40	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(H){2|H<1>,3|C<4>}	126.1890	0.000	1	126.1890	0.000	1	126.1890	0.000	1	126.1890	0.000	1	126.2002	7.994	40	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:4:3:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.4550	0.000	1	122.4550	0.000	1	128.8137	30.420	3	128.6770	10.393	7	126.2002	7.994	40	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:4:3:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CCHH)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]C[5]C){1|Pd<4>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CCHH){2|H<1>,3|C<4>}	131.9930	0.437	2	131.9930	0.191	2	128.8137	30.420	3	128.6770	10.393	7	126.2002	7.994	40	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:4:3:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:C-4:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]N[5]C)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(N[5]N[5]Pt)(CCHH)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]N[5]C){1|Pt<4>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|N<3>}	N[5](C[5,6]C[5,6]C[6])(N[5]N[5]Pt)(CCHH){2|H<1>,3|C<4>}	128.5745	0.689	4	128.5745	0.474	4	128.5745	0.474	4	128.6770	10.393	7	126.2002	7.994	40	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:4:3:	3:4:1:1:	3:4:1:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]H){1|C<2>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H){1|C<4>,2|C<3>,3|H<1>}	123.0850	0.013	2	123.0850	0.000	2	123.0850	0.000	2	123.0850	0.000	2	126.2002	7.994	40	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]CC)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CH3)2	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]N)(H)	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]CC)(N[5]C[5]H){1|N<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]N)(H){4|C<4>}	120.9040	0.000	1	121.1090	0.084	2	121.1090	0.084	2	121.1090	0.084	2	126.2002	7.994	40	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]CC)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CH3)2	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]N)(H)	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]CC)(N[5]C[5]H){1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]N)(H){4|C<4>}	121.3140	0.000	1	121.1090	0.084	2	121.1090	0.084	2	121.1090	0.084	2	126.2002	7.994	40	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:4:3:	4:3:1:1:	3:3:1:	C[5,6]-3:C[6]-4:N[5]-3:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:N[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(N[5]N[5]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]N[5])(H)2	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(N[5]N[5]H){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]N[5])(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(H){2|C<4>,3|H<1>}	126.9553	0.815	4	126.9553	0.665	4	126.9553	0.665	4	126.9553	0.665	4	126.2002	7.994	40	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:N[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]O)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]O){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(O){2|C<4>,5|H<1>}	125.0730	0.000	1	125.0730	0.000	1	125.0730	0.000	1	125.0730	0.000	1	126.2002	7.994	40	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5]	C[3x6]	N[5]	4:3:2:	4:4:4:3:	3:3:2:	C[3x6]-4:N[5]-3:N[5]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:C[5]-3:N-2:	C[5](C[3x6]C[6,6]3)(N[5]C[5]N)(N[5]N[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2)	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(NC)	C[5](C[3x6]C[6,6]3)(N[5]C[5]N)(N[5]N[5]){1|S<1>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2){1|C<3>,1|N<2>,1|N<3>,3|C<4>,3|H<1>}	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(NC){4|C<4>}	126.3900	0.448	3	126.3900	0.201	3	126.3900	0.201	3	126.3900	0.201	3	126.5465	4.034	19	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5]	C[3x6]	N[5]	4:3:2:	4:4:4:3:	3:3:3:	C[3x6]-4:N[5]-3:N[5]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[3x6]C[6,6]3)(N[5]C[6a]C[5])(N[5]N[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2)	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[5](C[3x6]C[6,6]3)(N[5]C[6a]C[5])(N[5]N[5]){1|S<1>,2|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	125.8360	0.000	1	127.0823	0.447	6	127.0823	0.447	6	127.0823	0.447	6	126.5465	4.034	19	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5]	C[3x6]	N[5]	4:3:2:	4:4:4:3:	3:3:3:	C[3x6]-4:N[5]-3:N[5]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[3x6]C[6,6]3)(N[5]C[6a]C[5])(N[5]N[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2)	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[5](C[3x6]C[6,6]3)(N[5]C[6a]C[5])(N[5]N[5]){1|S<1>,2|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S){2|C<3>,3|C<4>,3|H<1>}	127.4260	0.000	1	127.0823	0.447	6	127.0823	0.447	6	127.0823	0.447	6	126.5465	4.034	19	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5]	C[3x6]	N[5]	4:3:2:	4:4:4:3:	3:3:3:	C[3x6]-4:N[5]-3:N[5]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[3x6]C[6,6]3)(N[5]C[6a]C[5])(N[5]N[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2)	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[5](C[3x6]C[6,6]3)(N[5]C[6a]C[5])(N[5]N[5]){1|S<1>,2|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S){2|C<3>,2|H<1>,4|C<4>}	127.3080	0.346	4	127.0823	0.447	6	127.0823	0.447	6	127.0823	0.447	6	126.5465	4.034	19	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5]	C[3x6]	N[5]	4:3:2:	4:4:4:3:	3:3:4:	C[3x6]-4:N[5]-3:N[5]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2)	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH)	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5]){1|S<1>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH){1|H<1>,3|C<4>}	127.3105	1.227	2	127.6282	0.902	4	127.4955	0.569	8	127.4955	0.569	8	126.5465	4.034	19	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5]	C[3x6]	N[5]	4:3:2:	4:4:4:3:	3:3:4:	C[3x6]-4:N[5]-3:N[5]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2)	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH)	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5]){1|S<1>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH){4|C<4>}	127.9460	0.892	2	127.6282	0.902	4	127.4955	0.569	8	127.4955	0.569	8	126.5465	4.034	19	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5]	C[3x6]	N[5]	4:3:2:	4:4:4:3:	3:3:4:	C[3x6]-4:N[5]-3:N[5]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2)	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CC[6a]HH)	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5]){1|S<1>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CC[6a]HH){1|H<1>,3|C<4>}	127.8000	0.000	1	127.8000	0.000	1	127.4955	0.569	8	127.4955	0.569	8	126.5465	4.034	19	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5]	C[3x6]	N[5]	4:3:2:	4:4:4:3:	3:3:4:	C[3x6]-4:N[5]-3:N[5]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2)	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CH3)	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5]){1|S<1>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CH3){4|C<4>}	127.2170	0.663	3	127.2170	0.440	3	127.4955	0.569	8	127.4955	0.569	8	126.5465	4.034	19	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5]	C[3x6]	N[5]	4:3:3:	4:4:4:3:	3:2:1:	C[3x6]-4:C[5]-3:N[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[3x6]C[6,6]3)(C[5]N[5]Br)(N[5]O[5]O)	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]N[5])	N[5](C[5]C[3x6]C[5])(O[5]N[5])(O)	C[5](C[3x6]C[6,6]3)(C[5]N[5]Br)(N[5]O[5]O){3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]N[5]){1|Br<1>,1|N<2>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	N[5](C[5]C[3x6]C[5])(O[5]N[5])(O){1|Br<1>,3|C<4>}	120.0440	0.000	1	120.0440	0.000	1	120.0440	0.000	1	120.0440	0.000	1	126.5465	4.034	19	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5]	C[3x6]	N[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:N[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[3x6]C[6,6]3)(C[5]C[5]H)(N[5]N[5]H)	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]N[5])	N[5](C[5]C[3x6]C[5])(N[5]C[5]Cu)(H)	C[5](C[3x6]C[6,6]3)(C[5]C[5]H)(N[5]N[5]H){1|Cu<4>,1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]N[5]){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	N[5](C[5]C[3x6]C[5])(N[5]C[5]Cu)(H){1|C<3>,1|H<1>,3|C<4>}	122.7110	0.000	1	122.7110	0.000	1	122.7110	0.000	1	122.7110	0.000	1	126.5465	4.034	19	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5]	C[6]	N[5]	3:3:4:	3:3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6]-4:	C[5]-3:C[6]-3:C[6]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6]C[6]2H)	C[6](C[5]N[5]2)(C[6]C[6]H)2(H)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(C[6]C[6]2H){4|H<1>,6|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2(H){2|H<1>,5|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,2|H<1>,5|C<3>}	126.6270	4.599	2	126.6270	21.151	2	126.6270	21.151	2	126.6270	21.151	2	124.5786	5.984	24	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5]	C[6]	N[5]	3:3:4:	4:4:3:1:	3:3:1:	N[5]-3:N[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(C[5]N[5]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[5]N[5]2)(H){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){2|C<3>,2|H<1>,3|C<4>}	125.6740	0.990	2	125.6740	0.980	2	125.6740	0.980	2	125.6740	0.980	2	124.5786	5.984	24	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5]	C[6]	N[5]	3:3:4:	4:4:3:1:	3:3:4:	N[5]-3:N[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(C[5]N[5]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[5]N[5]2)(H){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	125.3350	1.426	2	125.3350	2.032	2	125.3350	2.032	2	125.3350	2.032	2	124.5786	5.984	24	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5]	C[6]	N[5]	4:3:2:	2:4:3:2:	3:4:1:	C[6]-4:N[5]-3:N[5]-2:	O[6]-2:C[6]-4:C[5]-3:O-2:	C[5]-3:C[5]-4:H-1:	C[5](C[6]C[6]O[6]O)(N[5]C[5]H)(N[5]C[5])	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(OC)	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	C[5](C[6]C[6]O[6]O)(N[5]C[5]H)(N[5]C[5]){1|C<3>,1|O<2>,6|H<1>}	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(OC){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,2|H<1>,2|O<2>}	123.9110	0.000	1	123.9110	0.000	1	123.9110	0.000	1	123.9110	0.000	1	124.5786	5.984	24	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5]	C[6]	N[5]	4:3:2:	3:4:4:1:	3:4:4:	C[6]-4:N[5]-3:O[5]-2:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5]-3:C[5]-4:C-4:	C[5](C[6]C[6]2H)(N[5]C[5]C)(O[5]C[5])	C[6](C[5]N[5]O[5])(C[6]C[6]HH)2(H)	N[5](C[5]C[6]O[5])(C[5]C[5]HH)(CCHH)	C[5](C[6]C[6]2H)(N[5]C[5]C)(O[5]C[5]){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5]N[5]O[5])(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[6]O[5])(C[5]C[5]HH)(CCHH){1|C<3>,1|H<1>,2|C<4>}	126.9940	0.000	1	126.9940	0.000	1	126.9940	0.000	1	126.9940	0.000	1	124.5786	5.984	24	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5]	C[6]	N[5]	4:3:3:	2:4:3:1:	3:4:1:	C[6]-4:N[5]-3:N[5]-3:	O[6]-2:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[6]C[6]O[6]H)(N[5]C[5]H)2	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	C[5](C[6]C[6]O[6]H)(N[5]C[5]H)2{1|C<3>,1|O<2>,6|H<1>}	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,4|H<1>}	123.4935	0.808	2	123.4935	0.653	2	123.4935	0.653	2	123.4935	0.653	2	124.5786	5.984	24	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5]	C[6]	N[5]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:N[5]-3:N[5]-3:	C[5]-3:N[6]-3:N[6]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6]N[6]2H)(N[5]C[5]H)2	C[6](C[5]N[5]2)(N[6]N[6]H)2(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](C[6]N[6]2H)(N[5]C[5]H)2{2|N<3>,4|H<1>}	C[6](C[5]N[5]2)(N[6]N[6]H)2(H){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H){2|N<3>,3|H<1>}	126.2350	0.673	2	126.2350	0.453	2	126.2350	0.453	2	126.2350	0.453	2	124.5786	5.984	24	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5]	C[6]	N[5]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:N[5]-3:N[5]-3:	N[6]-3:C[5]-3:C[6]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[6]C[6]N[6]H)(N[5]C[6a]C[5])(N[5]C[5]Re)	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)(H)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[6]C[6]N[6]H)(N[5]C[6a]C[5])(N[5]C[5]Re){3|H<1>,4|C<3>}	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Re<6>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	131.6400	0.000	1	131.6400	0.000	1	131.6400	0.000	1	131.6400	0.000	1	124.5786	5.984	24	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5]	C[6]	N[5]	4:3:3:	3:4:4:1:	3:3:1:	C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[6]C[6]2H)(C[5]C[5]H)(N[5]N[5]H)	C[6](C[5]C[5]N[5])(C[6]C[6]HH)2(H)	N[5](C[5]C[5]C[6])(N[5]C[5]Zn)(H)	C[5](C[6]C[6]2H)(C[5]C[5]H)(N[5]N[5]H){1|Zn<4>,2|C<4>,5|H<1>}	C[6](C[5]C[5]N[5])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	N[5](C[5]C[5]C[6])(N[5]C[5]Zn)(H){2|C<4>,3|H<1>}	122.9627	0.943	7	122.9627	0.890	7	122.9627	0.890	7	122.9627	0.890	7	124.5786	5.984	24	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5]	C[6]	N[5]	4:3:3:	3:4:4:2:	3:2:4:	C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[6]-4:C[6]-4:O-2:	C[5]-3:N[5]-2:C-4:	C[5](C[6]C[6]2O)(C[5]N[5]Pd)(N[5]N[5]C)	C[6](C[5]C[5]N[5])(C[6]C[6]HH)2(OH)	N[5](C[5]C[5]C[6])(N[5]N[5])(CCHH)	C[5](C[6]C[6]2O)(C[5]N[5]Pd)(N[5]N[5]C){3|C<4>,4|H<1>}	C[6](C[5]C[5]N[5])(C[6]C[6]HH)2(OH){1|Pd<4>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CCHH){1|Pd<4>,1|O<2>,3|C<4>}	122.7420	1.328	2	122.7420	1.763	2	122.9682	0.821	4	122.9682	0.821	4	124.5786	5.984	24	125.3977	8.976	89
818	466	542	0:SP2_SP2_SP3	C[5]	C[6]	N[5]	4:3:3:	3:4:4:2:	3:2:4:	C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[6]-4:C[6]-4:O-2:	C[5]-3:N[5]-2:C-4:	C[5](C[6]C[6]2O)(C[5]N[5]Pd)(N[5]N[5]C)	C[6](C[5]C[5]N[5])(C[6]C[6]HH)2(OH)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C[5](C[6]C[6]2O)(C[5]N[5]Pd)(N[5]N[5]C){3|C<4>,4|H<1>}	C[6](C[5]C[5]N[5])(C[6]C[6]HH)2(OH){1|Pd<4>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Pd<4>,1|O<2>,3|C<4>}	123.1945	0.704	2	123.1945	0.495	2	122.9682	0.821	4	122.9682	0.821	4	124.5786	5.984	24	125.3977	8.976	89
818	466	542	6:SP2_SP2_SP3	C[5,6,6]	C[6,6]	N[5,6]	3:3:4:	3:4:4:1:	3:4:4:	N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,6,6]-3:C[6]-4:C[6]-4:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:	C[5,6,6](N[5,6]C[5]C[6])2(C[6,6]C[6]2H)	C[6,6](C[5,6,6]N[5,6]2)(C[6]C[6]HH)2(H)	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO)	C[5,6,6](N[5,6]C[5]C[6])2(C[6,6]C[6]2H){2|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]N[5,6]2)(C[6]C[6]HH)2(H){4|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO){3|C<4>,5|H<1>}	123.7030	0.000	1	123.7030	0.000	1	123.7030	0.000	1	123.7030	0.000	1	123.7030	0.000	1	121.8692	6.321	33
818	466	542	6:SP2_SP2_SP3	C[5,6]	C[6]	N[5,6,6]	3:4:2:	3:4:1:1:	4:4:3:	N[5,6,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]N[5,6,6]O[5])(C[6]C[5,6]HH)(H)2	N[5,6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5])	C[5,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6,6]O[5])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	N[5,6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]){2|C<4>,3|C<3>,8|H<1>}	124.3570	0.000	1	124.3570	0.000	1	124.3570	0.000	1	124.3570	0.000	1	124.3570	0.000	1	121.8692	6.321	33
818	466	542	6:SP2_SP2_SP3	C[5,6]	C[6]	N[5,6]	3:2:4:	3:4:1:1:	3:3:4:	N[5,6]-3:O[5]-2:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]HH)	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	125.7185	1.707	4	125.7185	2.912	4	125.7185	2.912	4	125.7185	2.912	4	121.7297	6.404	31	121.8692	6.321	33
818	466	542	6:SP2_SP2_SP3	C[5,6]	C[6]	N[5,6]	3:3:4:	3:2:1:1:	4:3:3:	N[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[5,5a]-3:C[5,6]-3:	C[5,6](N[5,6]C[5,6,6]C[5,5a])(C[5]N[5,5a]N)(C[6]O[6]HH)	C[6](C[5,6]N[5,6]C[5])(O[6]C[5,6,6])(H)2	N[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5a]N[5,5a]S[5a])(C[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6,6]C[5,5a])(C[5]N[5,5a]N)(C[6]O[6]HH){1|C<3>,1|S<2>,3|C<4>}	C[6](C[5,6]N[5,6]C[5])(O[6]C[5,6,6])(H)2{2|C<3>,2|C<4>,2|N<3>}	N[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5a]N[5,5a]S[5a])(C[5,6]C[5]C[6]){1|N<3>,1|O<2>,2|C<4>,4|C<3>,6|H<1>}	119.2710	0.000	1	119.2710	0.000	1	119.2710	0.000	1	117.8410	1.575	3	121.7297	6.404	31	121.8692	6.321	33
818	466	542	6:SP2_SP2_SP3	C[5,6]	C[6]	N[5,6]	3:3:4:	3:2:1:1:	4:3:3:	N[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:S[6]-2:H-1:H-1:	C[5,5]-4:C[6,6a]-3:C[5,6]-3:	C[5,6](N[5,6]C[6,6a]C[5,5])(C[5]C[5,5]C)(C[6]S[6]HH)	C[6](C[5,6]N[5,6]C[5])(S[6]C[6,6a])(H)2	N[5,6](C[5,5]C[5,6a]C[5,5]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]C[5,5])(C[5]C[5,5]C)(C[6]S[6]HH){2|O<2>,4|C<3>}	C[6](C[5,6]N[5,6]C[5])(S[6]C[6,6a])(H)2{2|C<4>,3|C<3>}	N[5,6](C[5,5]C[5,6a]C[5,5]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|O<2>,1|S<2>,3|H<1>,6|C<3>}	117.1260	0.288	2	117.1260	0.083	2	117.1260	0.083	2	117.8410	1.575	3	121.7297	6.404	31	121.8692	6.321	33
818	466	542	6:SP2_SP2_SP3	C[5,6]	C[6]	N[5,6]	3:4:2:	3:2:1:1:	4:3:3:	N[5,6]-3:C[6]-4:N[5]-2:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[5,6]-3:C[5]-3:	C[5,6](N[5,6]C[5,6,6]C[5])(C[6]O[6]HH)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6,6])(H)2	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]N[5])(C[5]N[5]H)	C[5,6](N[5,6]C[5,6,6]C[5])(C[6]O[6]HH)(N[5]N[5]){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6,6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]N[5])(C[5]N[5]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	119.5310	0.000	1	119.5310	0.000	1	119.5310	0.000	1	120.0290	0.592	5	121.7297	6.404	31	121.8692	6.321	33
818	466	542	6:SP2_SP2_SP3	C[5,6]	C[6]	N[5,6]	3:4:2:	3:2:1:1:	4:3:3:	N[5,6]-3:C[6]-4:N[5]-2:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6])(H)2	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]N[5]C)	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]N[5]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	118.9120	0.000	1	118.9120	0.000	1	119.7635	1.450	2	120.0290	0.592	5	121.7297	6.404	31	121.8692	6.321	33
818	466	542	6:SP2_SP2_SP3	C[5,6]	C[6]	N[5,6]	3:4:2:	3:2:1:1:	4:3:3:	N[5,6]-3:C[6]-4:N[5]-2:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6])(H)2	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]N[5]Se)	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5]){1|Se<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]N[5]Se){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.6150	0.000	1	120.6150	0.000	1	119.7635	1.450	2	120.0290	0.592	5	121.7297	6.404	31	121.8692	6.321	33
818	466	542	6:SP2_SP2_SP3	C[5,6]	C[6]	N[5,6]	3:4:2:	3:2:1:1:	4:3:3:	N[5,6]-3:C[6]-4:N[5]-2:	C[5,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[6]O[6]HH)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(O[6]C[6])(H)2	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]H)	C[5,6](N[5,6]C[5]C[6])(C[6]O[6]HH)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]H){1|O<2>,3|C<3>,4|H<1>}	120.5435	0.025	2	120.5435	0.001	2	120.5435	0.001	2	120.0290	0.592	5	121.7297	6.404	31	121.8692	6.321	33
818	466	542	6:SP2_SP2_SP3	C[5,6]	C[6]	N[5,6]	3:4:2:	3:3:1:1:	3:4:4:	N[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]HH)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]Si[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]HH)(O[5]Si[5]){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]O[5])(N[5,6]C[5,6]C[5])(H)2{2|Si<4>,1|O<2>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]Si[5]HH){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	122.8685	0.183	2	122.8685	0.034	2	122.8685	0.034	2	122.8685	0.034	2	121.7297	6.404	31	121.8692	6.321	33
818	466	542	6:SP2_SP2_SP3	C[5,6]	C[6]	N[5,6]	3:4:2:	3:3:1:1:	4:3:3:	N[5,6]-3:C[6]-4:N[5]-2:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]S)(H)2	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]N)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(N[5]N[5]){1|C<4>,1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]N){1|N<3>,3|H<1>,4|C<3>}	123.2375	0.890	2	123.2375	0.793	2	123.2375	0.793	2	123.2375	0.793	2	121.7297	6.404	31	121.8692	6.321	33
818	466	542	6:SP2_SP2_SP3	C[5,6]	C[6]	N[5,6]	3:4:2:	3:3:4:4:	3:4:3:	N[5,6]-3:C[6]-4:N[5]-2:	C[5,6]-3:N[6]-3:C-4:C-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]CC)(N[5]C[5])	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)(CH3)2	N[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(C[5]C[5]O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]CC)(N[5]C[5]){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)(CH3)2{1|C<3>,1|O<1>,2|C<4>}	N[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(C[5]C[5]O){1|N<3>,1|O<1>,4|C<4>}	120.3810	0.000	1	120.3810	0.000	1	120.3810	0.000	1	120.3810	0.000	1	121.7297	6.404	31	121.8692	6.321	33
818	466	542	6:SP2_SP2_SP3	C[5,6]	C[6]	N[5,6]	3:4:2:	3:4:1:1:	3:3:3:	N[5,6]-3:C[6]-4:N[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]HH)(N[5]C[5])	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]O)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]HH)(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]HH)(H)2{4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]O){1|C<4>,3|C<3>,3|H<1>}	117.2710	0.000	1	117.2710	0.000	1	117.2710	0.000	1	117.2710	0.000	1	121.7297	6.404	31	121.8692	6.321	33
818	466	542	6:SP2_SP2_SP3	C[5,6]	C[6]	N[5,6]	3:4:2:	3:4:1:1:	3:4:3:	N[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5]){1|C<4>,1|O<1>,3|F<1>,4|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{1|Si<5>,1|C<3>,1|C<4>,2|H<1>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]O){1|C<4>,3|F<1>,4|H<1>}	121.4680	0.000	1	122.0178	0.782	5	122.0178	0.782	5	122.0178	0.782	5	121.7297	6.404	31	121.8692	6.321	33
818	466	542	6:SP2_SP2_SP3	C[5,6]	C[6]	N[5,6]	3:4:2:	3:4:1:1:	3:4:3:	N[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5]){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{1|Si<5>,1|C<3>,1|C<4>,2|H<1>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]O){1|O<2>,3|C<4>,4|H<1>}	121.4255	0.787	2	122.0178	0.782	5	122.0178	0.782	5	122.0178	0.782	5	121.7297	6.404	31	121.8692	6.321	33
818	466	542	6:SP2_SP2_SP3	C[5,6]	C[6]	N[5,6]	3:4:2:	3:4:1:1:	3:4:3:	N[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5]){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]O){3|C<4>,4|H<1>}	122.8850	0.000	2	122.0178	0.782	5	122.0178	0.782	5	122.0178	0.782	5	121.7297	6.404	31	121.8692	6.321	33
818	466	542	6:SP2_SP2_SP3	C[5,6]	C[6]	N[5,6]	3:4:3:	3:2:1:1:	3:3:3:	N[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:O[6]-2:H-1:H-1:	C[6,6]-3:C[5,6]-3:C[5]-3:	C[5,6](N[5,6]C[6,6]C[5])(C[6]O[6]HH)(N[5]C[5]C)	C[6](C[5,6]N[5,6]N[5])(O[6]C[6,6])(H)2	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]O[6]HH)(N[5]C[5]C){2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(O[6]C[6,6])(H)2{1|C<4>,4|C<3>}	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	120.4050	0.000	1	120.4050	0.000	1	120.4050	0.000	1	120.4050	0.000	1	121.7297	6.404	31	121.8692	6.321	33
818	466	542	6:SP2_SP2_SP3	C[5,6]	C[6]	N[5,6]	3:4:3:	3:2:1:1:	4:3:2:	N[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-3:N[5]-2:	C[5,6](N[5,6]C[5,6]N[5])(C[6]O[6]HH)(C[5]N[5]H)	C[6](C[5,6]N[5,6]C[5])(O[6]C[5,6])(H)2	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(N[5]N[5])	C[5,6](N[5,6]C[5,6]N[5])(C[6]O[6]HH)(C[5]N[5]H){2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(O[6]C[5,6])(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(N[5]N[5]){1|C<4>,1|N<4>,1|O<2>,7|H<1>}	121.4090	0.000	1	121.4090	0.000	1	121.4090	0.000	1	121.4090	0.000	1	121.7297	6.404	31	121.8692	6.321	33
818	466	542	6:SP2_SP2_SP3	C[5,6]	C[6]	N[5,6]	3:4:3:	3:3:1:1:	3:3:4:	N[5,6]-3:C[6]-4:N[5]-3:	N[5,6]-3:C[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[6]N[5,6]HH)(N[5]C[5,6a]C)	C[6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]N[5])(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[5,6]HH)	C[5,6](N[5,6]C[5,6a]C[6])(C[6]N[5,6]HH)(N[5]C[5,6a]C){2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]N[5])(H)2{1|N<3>,2|C<4>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[5,6]HH){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	124.1770	0.000	1	124.1770	0.000	1	124.1770	0.000	1	124.1770	0.000	1	121.7297	6.404	31	121.8692	6.321	33
818	466	542	6:SP2_SP2_SP3	C[5,6]	C[6]	N[5,6]	3:4:3:	3:3:3:1:	4:3:3:	N[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]N[6]H)(N[5]C[5]C)	C[6](C[5,6]N[5,6]N[5])(N[6]C[6,6]H)(C[6]C[6]2)(H)	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[6a]C[5])	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]N[6]H)(N[5]C[5]C){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]N[5])(N[6]C[6,6]H)(C[6]C[6]2)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[6a]C[5]){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	123.5190	2.264	2	123.5190	5.126	2	123.5190	5.126	2	123.5190	5.126	2	121.7297	6.404	31	121.8692	6.321	33
818	466	542	6:SP2_SP2_SP3	C[5,6]	C[6]	N[5,6]	3:4:3:	3:4:1:1:	3:4:2:	N[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-2:	C[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]N[5]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5])	C[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]N[5]H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5]){1|C<3>,1|C<4>,5|H<1>}	121.8500	0.134	2	121.8500	0.018	2	121.8500	0.018	2	121.8500	0.018	2	121.7297	6.404	31	121.8692	6.321	33
818	466	542	6:SP2_SP2_SP3	C[5,6]	C[6]	N[5,6]	4:3:4:	3:4:4:4:	3:4:3:	C[5]-4:N[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5]C[6a]C[5]Pt)(N[5,6]C[5]C[6])(C[6]C[6]CC)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCHH)2	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5]C[6a]C[5]Pt)(N[5,6]C[5]C[6])(C[6]C[6]CC){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCHH)2{1|Pt<5>,1|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|Pt<5>,1|C<3>,2|H<1>,3|C<4>}	120.3980	0.000	1	120.3980	0.000	1	120.3980	0.000	1	120.3980	0.000	1	121.7297	6.404	31	121.8692	6.321	33
818	466	542	6:SP2_SP3_SP3	C[5,6]	C[6]	N[5,6]	3:4:2:	3:2:1:1:	4:3:3:	N[5,6]-3:C[6]-4:N[5]-2:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6])(H)2	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]C[6]N[5])	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]C[6]N[5]){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	118.2650	0.000	1	118.2650	0.000	1	118.7130	0.401	2	118.7130	0.401	2	118.7130	0.401	2	118.7130	0.401	2
818	466	542	6:SP2_SP3_SP3	C[5,6]	C[6]	N[5,6]	3:4:2:	3:2:1:1:	4:3:3:	N[5,6]-3:C[6]-4:N[5]-2:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6])(H)2	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]N[5]C)	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]N[5]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.1610	0.000	1	119.1610	0.000	1	118.7130	0.401	2	118.7130	0.401	2	118.7130	0.401	2	118.7130	0.401	2
818	466	727	0:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:C-4:	C[5,6a,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6,6]C[5,6a]C[3x6])(C[3x6]C[5,6,6]2C)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5]H)2(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]C)	C[5,6,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6,6]C[5,6a]C[3x6])(C[3x6]C[5,6,6]2C){2|H<1>,4|C<4>,5|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5]H)2(CH3){1|C<4>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]C){1|H<1>,3|C<3>,4|C<4>}	135.3465	0.059	2	135.3465	0.003	2	135.3465	0.003	2	135.3465	0.003	2	135.3465	0.003	2	128.0335	16.726	23
818	466	727	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6a]	3:3:4:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:C-3:C-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6,6a]CC)	C[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(COO)2	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6,6a]CC){1|P<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(COO)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	127.2570	0.000	1	127.2570	0.000	1	127.2570	0.000	1	127.2570	0.000	1	129.2586	6.638	14	128.0335	16.726	23
818	466	727	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[5,6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]O[5,6]C[5]H)(H)2	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[5,6]HH){1|C<3>,1|C<4>,1|N<2>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	133.7220	0.000	1	133.7220	0.000	1	133.7220	0.000	1	129.4363	7.445	12	129.2586	6.638	14	128.0335	16.726	23
818	466	727	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(H)2	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){2|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	125.8820	0.000	1	125.8820	0.000	1	129.0466	6.186	11	129.4363	7.445	12	129.2586	6.638	14	128.0335	16.726	23
818	466	727	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	125.1300	0.000	1	125.1300	0.000	1	129.0466	6.186	11	129.4363	7.445	12	129.2586	6.638	14	128.0335	16.726	23
818	466	727	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	125.8220	0.000	1	125.8220	0.000	1	129.0466	6.186	11	129.4363	7.445	12	129.2586	6.638	14	128.0335	16.726	23
818	466	727	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6])(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	129.4620	0.151	2	129.4620	0.023	2	129.0466	6.186	11	129.4363	7.445	12	129.2586	6.638	14	128.0335	16.726	23
818	466	727	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]CH)(H)2	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]CH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	129.0900	0.000	1	129.0900	0.000	1	129.0466	6.186	11	129.4363	7.445	12	129.2586	6.638	14	128.0335	16.726	23
818	466	727	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	131.1960	0.000	1	132.1795	1.935	2	129.0466	6.186	11	129.4363	7.445	12	129.2586	6.638	14	128.0335	16.726	23
818	466	727	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH){2|C<3>,2|N<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2{1|N<2>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	133.1630	0.000	1	132.1795	1.935	2	129.0466	6.186	11	129.4363	7.445	12	129.2586	6.638	14	128.0335	16.726	23
818	466	727	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	130.7420	0.000	1	130.7420	0.000	1	129.0466	6.186	11	129.4363	7.445	12	129.2586	6.638	14	128.0335	16.726	23
818	466	727	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HN)(H)2	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	129.4550	0.000	1	129.4550	0.000	1	129.0466	6.186	11	129.4363	7.445	12	129.2586	6.638	14	128.0335	16.726	23
818	466	727	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	130.1090	0.000	1	130.1090	0.000	1	129.0466	6.186	11	129.4363	7.445	12	129.2586	6.638	14	128.0335	16.726	23
818	466	727	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6a]	3:3:4:	3:4:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:N-3:N-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]NN)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(NOO)2	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]NN){1|C<4>,2|C<3>,2|N<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(NOO)2{1|S<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>,3|N<3>}	129.1290	0.000	1	129.1290	0.000	1	129.1290	0.000	1	129.1290	0.000	1	129.2586	6.638	14	128.0335	16.726	23
818	466	727	0:SP2_SP2_SP3	C[5]	C[6]	C[5,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6]C[6,6a]2H){1|H<1>,9|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])(H){1|N<3>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	122.3890	0.000	1	122.3890	0.000	1	122.3890	0.000	1	122.3890	0.000	1	123.4939	1.574	7	128.0335	16.726	23
818	466	727	0:SP2_SP2_SP3	C[5]	C[6]	C[5,6a]	3:4:2:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[6]-4:N[5]-2:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(N[5]S[5])	C[6](C[5]C[5,6a]N[5])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(N[5]S[5]){1|O<2>,2|H<1>,2|O<1>,3|C<3>,3|C<4>}	C[6](C[5]C[5,6a]N[5])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	123.6120	0.000	1	123.6120	0.000	1	123.6120	0.000	1	123.6120	0.000	1	123.4939	1.574	7	128.0335	16.726	23
818	466	727	0:SP2_SP2_SP3	C[5]	C[6]	C[5,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5]-3:C[6]-4:N[6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]FH)(N[6]C[6]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H){1|C<4>,1|F<1>,4|C<3>,4|H<1>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]FH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	123.8400	0.000	1	123.8400	0.000	1	123.3740	0.434	2	123.3740	0.434	2	123.4939	1.574	7	128.0335	16.726	23
818	466	727	0:SP2_SP2_SP3	C[5]	C[6]	C[5,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5]-3:C[6]-4:N[6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	122.9080	0.000	1	122.9080	0.000	1	123.3740	0.434	2	123.3740	0.434	2	123.4939	1.574	7	128.0335	16.726	23
818	466	727	0:SP2_SP2_SP3	C[5]	C[6]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H)	C[6](C[5]C[5,6a]C[5])(C[6]C[5,6]CC)(C[6]C[6]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H){3|C<3>,3|H<1>,5|C<4>}	C[6](C[5]C[5,6a]C[5])(C[6]C[5,6]CC)(C[6]C[6]CC)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	122.4420	0.000	1	122.4420	0.000	1	123.9027	3.622	3	123.9027	3.622	3	123.4939	1.574	7	128.0335	16.726	23
818	466	727	0:SP2_SP2_SP3	C[5]	C[6]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	123.2110	0.000	1	123.2110	0.000	1	123.9027	3.622	3	123.9027	3.622	3	123.4939	1.574	7	128.0335	16.726	23
818	466	727	0:SP2_SP2_SP3	C[5]	C[6]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6,6a]HH)(C[6]C[6]HW)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]H){1|C<4>,1|W<7>,3|C<3>,4|H<1>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6,6a]HH)(C[6]C[6]HW)(H){1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	126.0550	0.000	1	126.0550	0.000	1	123.9027	3.622	3	123.9027	3.622	3	123.4939	1.574	7	128.0335	16.726	23
818	466	727	6:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5,6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5,6,6a]-3:C[6,6]-4:C[5,6]-3:	C[6,6,6a]-3:C[6,6]-4:C[5,6]-3:H-1:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5,6]-3:	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,5,6,6]C[6,6])	C[6,6](C[6,6,6a]C[5a,6,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,6,6a]C[5,6])(H)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,5,6,6]C[5a,6,6a])(C[5,6]C[5,6]C[6,6])	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,5,6,6]C[6,6]){1|H<1>,2|C<4>,9|C<3>}	C[6,6](C[6,6,6a]C[5a,6,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,6,6a]C[5,6])(H){1|H<1>,1|N<2>,2|C<4>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,5,6,6]C[5a,6,6a])(C[5,6]C[5,6]C[6,6]){1|H<1>,3|C<4>,6|C<3>}	112.9770	0.000	1	112.9770	0.000	1	112.9770	0.000	1	112.9770	0.000	1	112.9770	0.000	1	117.1620	3.146	10
818	466	727	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,5a,6]	3:4:3:	3:4:1:1:	3:3:3:	C[5,5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	Se[5,5a]-3:C[5a,6]-3:C[5,6]-3:	C[5,6](C[5,5a,6]Se[5,5a]C[5a,6])(C[6]C[6]HH)(C[5]O[5]H)	C[6](C[5,6]C[5,5a,6]C[5])(C[6]C[6]HH)(H)2	C[5,5a,6](Se[5,5a]O[5a]O[5])(C[5a,6]C[5a]C[6])(C[5,6]C[5]C[6])	C[5,6](C[5,5a,6]Se[5,5a]C[5a,6])(C[6]C[6]HH)(C[5]O[5]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,5a,6]C[5])(C[6]C[6]HH)(H)2{1|Se<3>,1|C<3>,1|O<2>,3|H<1>}	C[5,5a,6](Se[5,5a]O[5a]O[5])(C[5a,6]C[5a]C[6])(C[5,6]C[5]C[6]){1|C<4>,6|H<1>}	117.8520	0.229	2	117.8520	0.052	2	117.8520	0.052	2	117.8520	0.052	2	117.8520	0.052	2	117.1620	3.146	10
818	466	727	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	118.1180	0.000	1	117.9685	0.045	2	117.9685	0.045	2	117.9685	0.045	2	117.5627	1.446	7	117.1620	3.146	10
818	466	727	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	117.8190	0.000	1	117.9685	0.045	2	117.9685	0.045	2	117.9685	0.045	2	117.5627	1.446	7	117.1620	3.146	10
818	466	727	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5,6,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO)	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(OH)(H)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6]){2|C<3>,2|C<4>,3|O<2>,4|H<1>}	116.8625	0.891	4	116.8625	0.794	4	116.8625	0.794	4	116.8625	0.794	4	117.5627	1.446	7	117.1620	3.146	10
818	466	727	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]HH)(C[5]N[5]H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6,6]C[6,6]N[6]H)(H)2	C[5,6,6a](C[6,6a]C[6,6]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]HH)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6,6]C[6,6]N[6]H)(H)2{1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6a](C[6,6a]C[6,6]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]){1|C<3>,2|C<4>,6|H<1>}	119.5520	0.000	1	119.5520	0.000	1	119.5520	0.000	1	119.5520	0.000	1	117.5627	1.446	7	117.1620	3.146	10
818	466	813	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	N[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5,6a]-3:C[6a]-3:	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]CC)(H)2	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|H<1>,2|O<1>,3|C<3>,3|C<4>}	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	124.8067	0.317	3	124.8067	0.100	3	124.3160	0.456	6	124.3160	0.456	6	124.3160	0.456	6	124.3160	0.456	6
818	466	813	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	N[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5,6a]-3:C[6a]-3:	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]HH)(H)2	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	124.1000	0.427	2	124.1000	0.182	2	124.3160	0.456	6	124.3160	0.456	6	124.3160	0.456	6	124.3160	0.456	6
818	466	813	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	N[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5,6a]-3:C[6a]-3:	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H)2	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	123.2760	0.000	1	123.2760	0.000	1	124.3160	0.456	6	124.3160	0.456	6	124.3160	0.456	6	124.3160	0.456	6
818	466	818	0:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	3:3:4:	3:4:4:1:	3:3:4:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,6|H<1>}	137.3715	0.180	2	137.1810	0.165	4	137.1810	0.165	4	137.1810	0.165	4	136.3450	4.298	6	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	3:3:4:	3:4:4:1:	3:3:4:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){6|C<4>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){6|C<4>,6|H<1>}	136.9905	0.564	2	137.1810	0.165	4	137.1810	0.165	4	137.1810	0.165	4	136.3450	4.298	6	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	3:3:4:	3:4:4:1:	3:4:4:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[5,6,6]-4:C[3x6]-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,7|H<1>}	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,6|H<1>}	137.1840	0.000	1	137.1840	0.000	1	137.1840	0.000	1	137.1840	0.000	1	136.3450	4.298	6	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	3:4:4:	3:4:4:1:	3:3:4:	C[5,6,6]-3:C[5,6,6]-4:C[3x6]-4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,7|H<1>}	132.1620	0.000	1	132.1620	0.000	1	132.1620	0.000	1	132.1620	0.000	1	136.3450	4.298	6	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6,6]-3:C[5]-3:C[3x6]-4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[5,6,6]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[5](C[5,6,6]C[5,6,6]C[3x6])2(C[6a]C[6a]2)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H){2|C<3>,4|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6])2(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	136.4065	1.388	2	136.4065	1.927	2	136.4065	1.927	2	136.4065	1.927	2	136.9799	6.011	17	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	3:3:4:	3:4:4:1:	4:3:3:	C[5,6,6]-3:C[5]-3:C[3x6]-4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H){2|C<3>,4|C<4>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	137.0150	0.000	1	137.0150	0.000	1	137.0150	0.000	1	137.0150	0.000	1	136.9799	6.011	17	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	3:4:3:	3:4:2:1:	3:2:1:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-3:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]O[5]O)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(O[6,6]O[6,6])(H)	C[5](C[5,6,6]C[5,6,6]C[3x6])(O[5]C[5])(O)	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(O[6,6]O[6,6])(H){1|O<1>,1|O<2>,4|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(O[5]C[5])(O){1|O<2>,2|C<4>,3|H<1>}	135.1780	0.000	1	135.1780	0.000	1	135.1780	0.000	1	135.1780	0.000	1	136.9799	6.011	17	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	3:4:3:	3:4:3:1:	3:2:1:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[5,6,6]-3:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]H)(C[5]O[5]O)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(N[6,6]O[6,6]C)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6])(O[5]C[5])(O)	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]H)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(N[6,6]O[6,6]C)(H){1|O<1>,1|O<2>,4|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(O[5]C[5])(O){1|N<3>,2|C<4>,3|H<1>}	134.6620	0.132	2	134.6620	0.017	2	134.6620	0.017	2	134.6620	0.017	2	136.9799	6.011	17	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	3:4:3:	3:4:3:1:	3:2:3:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-3:N[5]-2:C-3:	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5])(CC[5a]C)	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C){1|C<4>,2|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5])(CC[5a]C){1|H<1>,2|C<3>,2|C<4>}	139.5570	1.513	3	139.5570	2.289	3	138.5616	2.613	7	138.5616	2.613	7	136.9799	6.011	17	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	3:4:3:	3:4:3:1:	3:2:3:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-3:N[5]-2:C-3:	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5])(CC[5a]H)	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C){1|C<4>,2|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5])(CC[5a]H){1|H<1>,2|C<3>,2|C<4>}	137.8150	1.402	4	137.8150	1.966	4	138.5616	2.613	7	138.5616	2.613	7	136.9799	6.011	17	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	3:4:3:	3:4:3:1:	3:3:2:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-3:C-3:N[5]-2:	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6])(CC[5a]C[6a])(N[5]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C){1|C<4>,2|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(CC[5a]C[6a])(N[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	138.1220	0.000	1	138.1220	0.000	1	138.1220	0.000	1	138.1220	0.000	1	136.9799	6.011	17	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	3:4:3:	3:4:4:1:	3:3:4:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[3x6]C[6,6]2H)(C[5]C[5,6,6]C)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[5](C[5,6,6]C[5,6,6]C[3x6])2(CC3)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[3x6]C[6,6]2H)(C[5]C[5,6,6]C){4|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6])2(CC3){2|H<1>,6|C<4>}	137.9240	0.605	2	137.9240	0.366	2	137.9240	0.366	2	137.9240	0.366	2	136.9799	6.011	17	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	3:4:3:	3:4:4:1:	3:4:2:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[6]-4:S[5]-2:	C[5,6,6](C[5,6,6]C[3x6]S[5])(C[3x6]C[6,6]2H)(C[5]C[6]S[5])	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6]C[6]2H)(S[5]S[5])	C[5,6,6](C[5,6,6]C[3x6]S[5])(C[3x6]C[6,6]2H)(C[5]C[6]S[5]){4|C<4>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H){2|C<4>,2|S<2>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6]C[6]2H)(S[5]S[5]){5|C<4>,5|H<1>}	130.4270	0.000	1	130.4270	0.000	1	130.4270	0.000	1	130.4270	0.000	1	136.9799	6.011	17	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:	3:4:1:1:	3:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[5,6,6]-3:C[5]-3:C-4:	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[6,6]C[3x6]HH)(C[5]C[5]C)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]N[5]O)(CC[6a]HH)	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[6,6]C[3x6]HH)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]N[5]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	136.5540	0.000	1	136.5540	0.000	1	136.5540	0.000	1	136.5540	0.000	1	134.4278	8.279	4	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[5,6,6]-3:C[5]-4:H-1:	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[6,6]C[3x6]HH)(C[5]C[5]H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2C)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]O[5]HH)(H)	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[6,6]C[3x6]HH)(C[5]C[5]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2C)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]O[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	137.2600	0.000	1	137.2600	0.000	1	137.2600	0.000	1	137.2600	0.000	1	134.4278	8.279	4	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:	4:3:1:1:	3:3:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:	C[3x6]-4:C[5,6,6]-3:H-1:H-1:	C[5,6,6]-3:C[5]-3:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]C[6,6]C[5])(C[6,6]C[3x6]HH)(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])(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]O)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	131.9485	0.015	2	131.9485	0.000	2	131.9485	0.000	2	131.9485	0.000	2	134.4278	8.279	4	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:4:1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,6,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[5,5,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]H)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]H)(C[6]C[6]HH){1|Si<4>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	130.9400	0.000	1	130.9400	0.000	1	130.9400	0.000	1	130.9400	0.000	1	131.0630	0.983	3	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	4:3:3:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,6,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-3:C[6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a]2)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a]2){1|O<1>,3|C<4>,4|C<3>,6|H<1>}	130.1390	0.000	1	130.1390	0.000	1	130.1390	0.000	1	130.1390	0.000	1	131.0630	0.983	3	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:	3:4:2:1:	3:4:4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,6,6]-3:C[6,6]-4:O-2:H-1:	C[5,6,6]-3:C[5,5,6]-4:C-4:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]C[6,6]HO)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[6,6]C[6]C)(OC)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(CH3)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]C[6,6]HO){1|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[6,6]C[6]C)(OC)(H){1|H<1>,2|O<2>,7|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	132.1100	0.000	1	132.1100	0.000	1	132.1100	0.000	1	132.1100	0.000	1	131.0630	0.983	3	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	3:4:3:	3:4:3:1:	4:4:3:	C[5,6,6a]-3:C[6,6]-4:C[5,6]-3:	C[6,6,6a]-3:C[6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[5,6]-3:	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,5,6,6]C[6,6])	C[6,6](C[6,6,6a]C[5a,6,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,6,6a]C[5,6])(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,6,6a]C[6,6])	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,5,6,6]C[6,6]){1|H<1>,2|C<4>,9|C<3>}	C[6,6](C[6,6,6a]C[5a,6,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,6,6a]C[5,6])(H){1|H<1>,1|N<2>,2|C<4>,8|C<3>}	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,6,6a]C[6,6]){12|C<3>,1|C<4>,1|H<1>}	138.3090	0.000	1	138.3090	0.000	1	138.3090	0.000	1	138.3090	0.000	1	138.1930	0.027	2	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:	3:4:3:1:	3:4:3:	C[5,5,6,6]-4:C[6,6]-4:C[5,6]-3:	C[6,6,6a]-3:C[6,6]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:C[6,6]-4:C[5,6]-3:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,6,6a]C[6,6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,5,6,6]C[5,6])(H)	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,5,6,6]C[6,6])	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,6,6a]C[6,6]){12|C<3>,1|C<4>,1|H<1>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,5,6,6]C[5,6])(H){1|H<1>,1|N<2>,2|C<4>,9|C<3>}	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,5,6,6]C[6,6]){1|H<1>,2|C<4>,9|C<3>}	138.0770	0.000	1	138.0770	0.000	1	138.0770	0.000	1	138.0770	0.000	1	138.1930	0.027	2	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:3:3:	3:4:4:4:	3:2:1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,5]C[6])(C[5]O[5]O)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5,5])(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,5]C[6])(C[5]O[5]O){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5,5])(O){1|C<3>,1|O<2>,4|C<4>}	127.5350	0.000	1	127.5350	0.000	1	126.2372	0.753	5	126.2372	0.753	5	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:3:3:	3:4:4:4:	3:2:1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(O){1|C<3>,1|H<1>,4|C<4>}	125.9128	0.550	4	125.9128	0.302	4	126.2372	0.753	5	126.2372	0.753	5	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H){1|O<1>,3|H<1>,3|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(O){3|C<4>,3|H<1>}	127.3350	0.000	1	127.3350	0.000	1	127.1025	0.108	2	127.1025	0.108	2	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(O){3|C<4>,3|H<1>}	126.8700	0.000	1	126.8700	0.000	1	127.1025	0.108	2	127.1025	0.108	2	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:3:3:	4:3:4:4:	3:2:1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(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]HO)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(O){2|H<1>,4|C<4>}	128.6130	0.000	1	128.6130	0.000	1	128.6130	0.000	1	128.6130	0.000	1	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[6,6]-4:C[5,6]-3:C[6,6]-4:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]2C)(C[5,6]C[6]O[5])(C[5]C[5]H)	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(C[5]O[5]O)(H)	C[5,6](C[6,6]C[6,6]2C)(C[5,6]C[6]O[5])(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(CH3){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]O[5]O)(H){1|C<3>,3|C<4>}	135.8020	0.000	1	135.8020	0.000	1	135.8020	0.000	1	135.8020	0.000	1	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:	N[5,6]-3:C[5,6]-3:C[6,6]-4:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[6,6](N[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H)	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](N[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H){1|N<3>,2|C<4>,4|H<1>}	129.3620	0.000	2	129.3620	0.000	2	129.3620	0.000	2	129.3620	0.000	2	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:	3:4:3:1:	3:3:4:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6]-3:C[6,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5]C)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]O[5]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	133.0365	0.194	2	133.0365	0.038	2	133.0365	0.038	2	133.0365	0.038	2	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:	N[5,6]-3:C[6,6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[6,6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H){4|C<4>,7|H<1>}	C[6,6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H){1|O<2>,7|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H){1|N<3>,2|C<4>,4|H<1>}	128.4900	0.000	1	128.4900	0.000	1	128.4900	0.000	1	128.4900	0.000	1	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C[6])	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]C[6])(C[6]C[6]2H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C[6]){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,8|C<4>}	128.0850	0.000	1	128.0850	0.000	1	128.0850	0.000	1	128.0850	0.000	1	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:	3:4:4:2:	3:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6]-4:C[6]-4:O-2:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H){1|O<2>,2|H<1>,4|C<4>}	128.5780	0.000	1	128.5780	0.000	1	128.5780	0.000	1	128.5780	0.000	1	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:	3:4:4:4:	3:3:1:	C[3,5,6]-4:C[6,6]-4:C[5]-3:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5]H)	C[6,6](C[5,6]C[3,5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[3,5,6]C[6,6])(C[5]C[3,5]O)(H)	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5]H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[3,5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[3,5,6]C[6,6])(C[5]C[3,5]O)(H){1|H<1>,5|C<4>}	129.5000	0.000	1	129.5000	0.000	1	129.5000	0.000	1	130.2804	2.732	5	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:	3:4:4:4:	3:3:1:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]H)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6])(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6])(H){1|O<2>,2|C<3>,5|C<4>}	128.3620	0.000	1	128.3620	0.000	1	128.3620	0.000	1	130.2804	2.732	5	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:	3:4:4:4:	3:3:1:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[6]-4:C[6]-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]H)	C[6,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)2(C[6]N[6]CH)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]H){1|N<3>,2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)2(C[6]N[6]CH){2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]H)(H){2|H<1>,4|C<4>}	132.8490	0.000	1	132.8490	0.000	1	132.8490	0.000	1	130.2804	2.732	5	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]H)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(C[5]N[5]H)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]H){3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]N[5]H)(H){5|C<4>}	130.3455	0.185	2	130.3455	0.034	2	130.3455	0.034	2	130.2804	2.732	5	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6,6]-4:C[6,6]-4:C[5]-3:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]H)	C[6,6](C[5,6]C[5,6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]H){2|C<3>,2|O<1>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]C[6]H)(H){1|Si<4>,1|O<1>,2|C<3>,4|C<4>}	129.8840	0.000	1	129.8840	0.000	1	129.8840	0.000	1	129.8840	0.000	1	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:	4:3:3:4:	3:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[3x6]-4:C[5,6]-3:C[6]-3:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O)(CH3){1|O<2>,4|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|C<4>}	126.8460	0.000	1	126.8460	0.000	1	126.8460	0.000	1	126.8460	0.000	1	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H){1|C<3>,2|H<1>,4|C<4>}	129.0730	0.817	2	129.0730	0.668	2	129.0730	0.668	2	129.0730	0.668	2	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[5,5]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]H)	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)(H)	C[5](C[5,6]C[5,6]C[6,6])(C[5,5]C[5,5]O[5]H)(H)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]H){3|O<2>,4|C<4>,5|H<1>}	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)(H){5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5,5]C[5,5]O[5]H)(H){1|H<1>,1|O<2>,6|C<4>}	128.0670	0.000	1	128.0670	0.000	1	128.0670	0.000	1	126.2385	6.687	2	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:	N[5,6]-4:C[5,6]-3:C[6,6]-4:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[6,6](N[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H){5|C<4>,7|H<1>}	C[6,6](N[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|O<2>,7|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H){1|N<4>,2|C<4>,4|H<1>}	124.4100	0.000	1	124.4100	0.000	1	124.4100	0.000	1	126.2385	6.687	2	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:	4:3:4:1:	3:4:4:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C)	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(CCCH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H){2|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(CCCH){3|H<1>,4|C<4>}	133.8160	0.000	1	133.8160	0.000	1	133.8160	0.000	1	133.8160	0.000	1	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:	4:3:4:2:	3:3:3:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C[6]-4:O-2:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]){1|O<1>,2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH){2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	132.5370	0.000	1	132.5370	0.000	1	132.5370	0.000	1	132.5370	0.000	1	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|O<2>,4|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H){1|C<3>,1|H<1>,5|C<4>}	126.5810	0.000	1	126.5810	0.000	1	127.4838	0.827	5	127.4838	0.827	5	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H){1|C<3>,1|H<1>,5|C<4>}	128.3510	0.301	2	127.7095	0.763	4	127.4838	0.827	5	127.4838	0.827	5	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H){1|C<3>,1|H<1>,5|C<4>}	127.5940	0.000	1	127.7095	0.763	4	127.4838	0.827	5	127.4838	0.827	5	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:	4:3:4:4:	3:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,3|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H){1|C<3>,1|H<1>,5|C<4>}	126.5420	0.000	1	127.7095	0.763	4	127.4838	0.827	5	127.4838	0.827	5	128.8907	6.859	34	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5,5]	4:3:4:	3:3:1:1:	4:3:3:	C[5,6,6]-4:C[5,5]-3:C[6]-4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-3:N[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5]N[5])(C[6]N[6]HH)	C[6](C[5,6]C[5,6,6]C[5,5])(N[6]C[6]S)(H)2	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]C[5,6,6]C[6])(N[5]C[5,6a]S)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5]N[5])(C[6]N[6]HH){2|C<4>,2|S<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5])(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]C[5,6,6]C[6])(N[5]C[5,6a]S){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	130.2220	0.000	1	130.2220	0.000	1	130.2220	0.000	1	130.2220	0.000	1	130.2220	0.000	1	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	134.0030	0.000	1	133.9520	0.005	2	133.9520	0.005	2	133.9520	0.005	2	132.4589	4.199	12	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){2|C<4>,4|C<3>,5|H<1>}	133.9010	0.000	1	133.9520	0.005	2	133.9520	0.005	2	133.9520	0.005	2	132.4589	4.199	12	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:2:1:	3:3:4:	C[5,6,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO)	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	134.3158	1.321	4	134.3158	1.746	4	134.3158	1.746	4	134.3158	1.746	4	132.4589	4.199	12	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:4:1:	4:3:4:	C[5,6]-3:C[5,6]-4:C[6]-4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]O[6]H)(C[6]C[6]CH)	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]O[6]H)(C[6]C[6]CH){4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6]HH){2|O<2>,5|C<4>,5|H<1>}	131.0220	0.000	1	131.0220	0.000	1	131.0220	0.000	1	131.0220	0.000	1	132.4589	4.199	12	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:4:4:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]2)(C[6]C[6,6]HO)(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]O[6]H)(C[6]C[6]CH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6]HH){2|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6,6]HO)(H)2{1|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]O[6]H)(C[6]C[6]CH){4|C<4>,6|H<1>}	129.2310	0.000	1	129.2310	0.000	1	129.2310	0.000	1	129.2310	0.000	1	132.4589	4.199	12	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:4:4:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6]C[6]2H)	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6]C[6]2H){1|C<4>,2|C<3>,8|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6])(H){1|C<3>,3|C<4>,4|H<1>}	131.0217	0.807	4	131.0217	0.651	4	131.0217	0.651	4	131.0217	0.651	4	132.4589	4.199	12	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:2:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:S[6]-2:H-1:H-1:	C[5,6]-3:C[5]-3:N[6]-3:	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5]N[6])(C[6]S[6]HH)	C[6](C[5,6]C[5,6]C[5])(S[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]C)(N[6]C[6]2)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5]N[6])(C[6]S[6]HH){1|C<2>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(S[6]C[6,6a])(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]C)(N[6]C[6]2){1|S<2>,2|C<4>,3|C<3>,6|H<1>}	126.8840	0.000	1	126.8840	0.000	1	126.8840	0.000	1	128.9065	8.181	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:2:1:1:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:O[6]-2:H-1:H-1:	N[5,5a]-3:C[5,6]-3:N-3:	C[5,6](N[5,6]C[5,6,6]C[5,5a])(C[5]N[5,5a]N)(C[6]O[6]HH)	C[6](C[5,6]N[5,6]C[5])(O[6]C[5,6,6])(H)2	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]N[5,6]C[6])(NCH)	C[5,6](N[5,6]C[5,6,6]C[5,5a])(C[5]N[5,5a]N)(C[6]O[6]HH){1|C<3>,1|S<2>,3|C<4>}	C[6](C[5,6]N[5,6]C[5])(O[6]C[5,6,6])(H)2{2|C<3>,2|C<4>,2|N<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]N[5,6]C[6])(NCH){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	130.9290	0.000	1	130.9290	0.000	1	130.9290	0.000	1	128.9065	8.181	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:2:1:1:	4:3:3:	N[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:S[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-3:C-3:	C[5,6](N[5,6]C[6,6a]C[5,5])(C[5]C[5,5]C)(C[6]S[6]HH)	C[6](C[5,6]N[5,6]C[5])(S[6]C[6,6a])(H)2	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]N[5,6]C[6])(COO)	C[5,6](N[5,6]C[6,6a]C[5,5])(C[5]C[5,5]C)(C[6]S[6]HH){2|O<2>,4|C<3>}	C[6](C[5,6]N[5,6]C[5])(S[6]C[6,6a])(H)2{2|C<4>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]N[5,6]C[6])(COO){1|O<1>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	129.7080	0.000	1	129.7080	0.000	1	129.9380	0.106	2	129.9380	0.106	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:2:1:1:	4:3:3:	N[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:S[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-3:C-3:	C[5,6](N[5,6]C[6,6a]C[5,5])(C[5]C[5,5]C)(C[6]S[6]HH)	C[6](C[5,6]N[5,6]C[5])(S[6]C[6,6a])(H)2	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]N[5,6]C[6])(COO)	C[5,6](N[5,6]C[6,6a]C[5,5])(C[5]C[5,5]C)(C[6]S[6]HH){2|O<2>,4|C<3>}	C[6](C[5,6]N[5,6]C[5])(S[6]C[6,6a])(H)2{2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]N[5,6]C[6])(COO){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	130.1680	0.000	1	130.1680	0.000	1	129.9380	0.106	2	129.9380	0.106	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,3|C<3>,3|H<1>}	127.2070	0.000	1	127.2070	0.000	1	126.6585	0.262	4	126.6585	0.262	4	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	126.4757	0.439	3	126.4757	0.192	3	126.6585	0.262	4	126.6585	0.262	4	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:D-1:H-1:	C[5,6]-3:C[6a]-3:O[5]-2:	C[5,6](C[5,6]Ge[5]C[6])(C[5]C[6a]O[5])(C[6]C[6]DH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]DH)(D)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]Ge[5])	C[5,6](C[5,6]Ge[5]C[6])(C[5]C[6a]O[5])(C[6]C[6]DH){1|D<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]DH)(D)(H){1|Ge<4>,1|D<1>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]Ge[5]){1|D<1>,3|C<3>,3|C<4>,3|H<1>}	126.6500	0.000	1	126.6500	0.000	1	126.6500	0.000	1	124.5013	3.650	3	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:B[5]-3:Se[5]-2:	C[5,6](C[5,6]C[5]C[6])(C[5]Se[5]B[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(B[5]O[5]2)(Se[5]C[5])	C[5,6](C[5,6]C[5]C[6])(C[5]Se[5]B[5])(C[6]C[6]HH){1|B<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(B[5]O[5]2)(Se[5]C[5]){1|B<3>,2|H<1>,4|C<4>}	123.4270	0.612	2	123.4270	0.375	2	123.4270	0.375	2	124.5013	3.650	3	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:N[6]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]N[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(N[6]C[6]2)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]N[6])(C[6]C[6]HH){2|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(N[6]C[6]2){1|C<2>,2|C<3>,3|C<4>,6|H<1>}	129.5030	0.000	1	129.5030	0.000	1	129.5030	0.000	1	126.3286	6.090	17	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5a]-3:P[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]S[5a])(P[5]C[5]P[5])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|C<4>,1|P<3>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]S[5a])(P[5]C[5]P[5]){2|C<4>,3|H<1>,5|C<3>}	125.2428	0.218	8	125.2428	0.047	8	125.2428	0.047	8	126.3286	6.090	17	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6](C[5,6]C[6]O[5])(C[5]C[6a]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]O)	C[5,6](C[5,6]C[6]O[5])(C[5]C[6a]C[5])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,3|C<3>,4|H<1>}	133.5960	0.000	1	133.5960	0.000	1	133.5960	0.000	1	126.3286	6.090	17	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:P[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(P[5]C[6a]C[5])	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(P[5]C[6a]C[5]){2|C<4>,3|H<1>,5|C<3>}	125.4170	0.803	4	125.4170	0.644	4	125.4170	0.644	4	126.3286	6.090	17	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|C<4>,5|C<3>,5|H<1>}	130.4280	0.000	1	130.4280	0.000	1	130.4280	0.000	1	126.3286	6.090	17	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[5,6]-3:P[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5a]C[5a,6]S[5a])(C[5,6]C[5,6]C[6])(P[5]C[6a]C[5])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a,6]S[5a])(C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	125.2245	0.540	2	125.2245	0.291	2	125.2245	0.291	2	126.3286	6.090	17	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[3x5]-3:C[5,6]-3:Si-4:	C[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[3x5]Si)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](C[3x5]C[3x5,6]C[5,5,6])(C[5,6]C[5,6]C[6])(SiC3)	C[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[3x5]Si)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|Si<4>,1|C<4>,3|C<3>}	C[5](C[3x5]C[3x5,6]C[5,5,6])(C[5,6]C[5,6]C[6])(SiC3){3|C<3>,3|C<4>,3|H<1>}	126.4800	0.000	1	126.4800	0.000	1	126.4800	0.000	1	125.9650	0.451	3	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5a]-3:P[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]S[5a])(P[5]C[5]C[6]Pd)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|Pd<4>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]S[5a])(P[5]C[5]C[6]Pd){3|C<3>,4|C<4>,4|H<1>}	125.2050	0.000	1	125.2050	0.000	1	125.2050	0.000	1	125.9650	0.451	3	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:P[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(P[5]C[5]C[6]Pd)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Pd<4>,1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(P[5]C[5]C[6]Pd){3|C<4>,4|C<3>,5|H<1>}	126.2100	0.000	1	126.2100	0.000	1	126.2100	0.000	1	125.9650	0.451	3	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:4:1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5,6]O[5]S[6]2)(O)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]O)(C[6]C[6]HH){1|C<4>,2|S<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5,6]O[5]S[6]2)(O){2|H<1>,4|C<4>}	128.5990	0.000	1	128.5990	0.000	1	128.5990	0.000	1	128.5990	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:P[5]-4:C[5a]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Os)(C[5a]C[5a]S[5a])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|Os<4>,1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Os)(C[5a]C[5a]S[5a]){2|C<4>,3|H<1>,5|C<3>}	124.7097	1.057	4	124.7097	1.118	4	124.7097	1.118	4	125.3253	2.074	28	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:P[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(P[5]C[5]C[6]Pd)(C[6]C[6]N[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){1|Pd<4>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[5]C[6]Pd)(C[6]C[6]N[6]){3|C<3>,4|C<4>,4|H<1>}	124.7600	0.000	1	124.7600	0.000	1	125.3929	2.267	16	125.3253	2.074	28	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:P[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Cu)(C[6]C[6]N[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){1|Cu<4>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Cu)(C[6]C[6]N[6]){1|Cu<4>,2|C<4>,3|H<1>,5|C<3>}	124.9330	0.000	1	124.9330	0.000	1	125.3929	2.267	16	125.3253	2.074	28	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:P[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Re)(C[6]C[6]N[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){1|Re<6>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Re)(C[6]C[6]N[6]){2|C<4>,3|H<1>,5|C<3>}	124.6715	2.147	2	124.6715	4.612	2	125.3929	2.267	16	125.3253	2.074	28	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:P[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]S)(C[6]C[6]N[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){1|C<4>,1|N<3>,1|S<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]S)(C[6]C[6]N[6]){1|Cu<4>,2|C<4>,3|H<1>,5|C<3>}	125.6042	1.573	12	125.6042	2.473	12	125.3929	2.267	16	125.3253	2.074	28	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:P[5]-4:C[6a]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Au)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Au<2>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Au)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	123.8770	1.172	2	123.8770	1.374	2	125.4977	2.402	8	125.3253	2.074	28	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:P[5]-4:C[6a]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Cu)(C[6a]C[6a]N[6a])	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Cu<4>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Cu)(C[6a]C[6a]N[6a]){2|C<4>,3|H<1>,5|C<3>}	126.5910	0.000	1	126.5910	0.000	1	125.4977	2.402	8	125.3253	2.074	28	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:P[5]-4:C[6a]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]O)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]O)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	125.2760	1.530	2	125.2760	2.341	2	125.4977	2.402	8	125.3253	2.074	28	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:P[5]-4:C[6a]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Pd)(C[6a]C[6a]N[6a])	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Pd<4>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Pd)(C[6a]C[6a]N[6a]){1|C<4>,4|H<1>,6|C<3>}	128.0270	0.000	1	128.0270	0.000	1	125.4977	2.402	8	125.3253	2.074	28	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:P[5]-4:C[6a]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Re)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Re<6>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Re)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	125.5290	0.393	2	125.5290	0.155	2	125.4977	2.402	8	125.3253	2.074	28	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:O-1:	C[5,6](C[5,6]C[3x5]C[6])(C[5]C[5,5]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	C[5](C[5,5]C[3x5]C[5]H)(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[3x5]C[6])(C[5]C[5,5]O)(C[6]C[6]HH){1|H<1>,1|O<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5,6]C[5,6]C[6])(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	125.0510	0.000	1	125.0510	0.000	1	127.0655	8.116	2	126.3820	2.799	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5]N[5]O[5])(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]O)(C[6]C[6]HH){1|N<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]N[5]O[5])(C[5,6]C[5,6]C[6])(O){1|C<3>,4|C<4>,4|H<1>}	129.0800	0.000	1	129.0800	0.000	1	127.0655	8.116	2	126.3820	2.799	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH){3|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(O){2|H<1>,7|C<4>}	125.4830	0.000	1	125.4830	0.000	1	125.9263	0.760	3	126.3820	2.799	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	125.3650	0.000	1	125.3650	0.000	1	125.9263	0.760	3	126.3820	2.799	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]O)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(O){1|C<3>,3|C<4>,5|H<1>}	126.9310	0.000	1	126.9310	0.000	1	125.9263	0.760	3	126.3820	2.799	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	5:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	P[5]-5:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](P[5]C[6a]C[5]Cu2)(C[5,6]C[5,6]C[6])(C[6]C[6]N[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){2|Cu<4>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<5>,2|C<3>,2|H<1>}	C[5](P[5]C[6a]C[5]Cu2)(C[5,6]C[5,6]C[6])(C[6]C[6]N[6]){2|C<4>,3|H<1>,5|C<3>}	125.8435	0.430	4	125.8435	0.185	4	125.8435	0.185	4	125.8435	0.185	4	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:2:1:1:	3:3:1:	N[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]C[5,6]N[5])(C[6]O[6]HH)(C[5]N[5]H)	C[6](C[5,6]N[5,6]C[5])(O[6]C[5,6])(H)2	C[5](C[5,6]N[5,6]C[6])(N[5]N[5]H)(H)	C[5,6](N[5,6]C[5,6]N[5])(C[6]O[6]HH)(C[5]N[5]H){2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(O[6]C[5,6])(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]N[5]H)(H){1|C<4>,1|O<2>,2|H<1>}	134.2930	0.000	1	134.2930	0.000	1	134.2930	0.000	1	134.2930	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:3:1:1:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|B<4>,1|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|C<2>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,1|C<4>,4|H<1>}	126.2030	0.000	1	125.5750	0.789	2	125.5750	0.789	2	125.5750	0.789	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:3:1:1:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.9470	0.000	1	125.5750	0.789	2	125.5750	0.789	2	125.5750	0.789	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:3:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:N[6]-3:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5])(C[6]N[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]S)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[6]N[6]HH)(C[5]C[5]H){1|O<1>,1|S<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){1|C<3>,1|N<3>,4|H<1>}	130.3585	0.271	2	130.3585	0.073	2	130.3585	0.073	2	130.3585	0.073	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:3:1:1:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:N[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]N[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]N[6]HH)(C[5]C[5]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	129.6120	0.000	1	129.6120	0.000	1	129.6120	0.000	1	129.0645	0.600	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:3:1:1:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|O<2>,4|H<1>}	128.5170	0.000	1	128.5170	0.000	1	128.5170	0.000	1	129.0645	0.600	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:3:3:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|C<4>,6|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|N<3>,2|H<1>,4|C<3>}	127.3607	0.402	3	127.4255	0.125	4	127.4255	0.125	4	127.6724	0.398	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:3:3:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){7|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|N<3>,2|H<1>,4|C<3>}	127.6200	0.000	1	127.4255	0.125	4	127.4255	0.125	4	127.6724	0.398	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:3:3:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|N<3>,2|H<1>,4|C<3>}	128.6600	0.000	1	128.6600	0.000	1	128.6600	0.000	1	127.6724	0.398	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:3:3:1:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]O[6])(C[6]C[5]C[6]H)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])(C[5]C[5]S[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]O[6])(C[6]C[5]C[6]H)(C[5]C[5]O){1|C<2>,1|C<3>,1|S<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[5]C[5]S[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|O<2>,2|C<3>,3|H<1>}	128.3070	0.000	1	128.3070	0.000	1	128.3070	0.000	1	128.3070	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:3:4:1:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[5,6]-3:C-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]CH)(C[5]O[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CHHN)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]CH)(C[5]O[5]O){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CHHN)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	129.5190	0.000	1	129.5190	0.000	1	129.5190	0.000	1	129.5190	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:3:4:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6,6]-3:C-4:H-1:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]CH)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]CH)(C[5]C[5,6a]O){5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	126.3570	0.000	1	126.3570	0.000	1	126.3570	0.000	1	128.5778	2.571	4	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:3:4:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	129.6770	0.602	2	129.6770	0.363	2	129.6770	0.363	2	128.5778	2.571	4	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:3:4:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6a]C[5]H)(C[5]C[5,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5]2H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6a]C[5]H)(C[5]C[5,6a]O){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5]2H)(H){1|H<1>,1|O<2>,3|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	128.6000	0.000	1	128.6000	0.000	1	128.6000	0.000	1	128.5778	2.571	4	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:3:4:3:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5,6]-3:C-4:C-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[5,6]CC)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5])2(CCHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[5,6]CC)(C[5]C[5,6a]O){5|C<3>}	C[6](C[5,6]C[5,6]C[5])2(CCHH)(COO){1|N<3>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	125.3920	0.569	2	125.3920	0.323	2	125.3993	0.162	3	125.6352	0.330	4	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:3:4:3:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5,6]-3:C-4:C-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[5,6]CC)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5])2(CH3)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[5,6]CC)(C[5]C[5,6a]O){5|C<3>}	C[6](C[5,6]C[5,6]C[5])2(CH3)(COO){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	125.4140	0.000	1	125.4140	0.000	1	125.3993	0.162	3	125.6352	0.330	4	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:3:4:3:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6,6]-3:C-4:C-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]CC)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CCHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]CC)(C[5]C[5,6a]O){5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CCHH)(COO){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	126.3430	0.000	1	126.3430	0.000	1	126.3430	0.000	1	125.6352	0.330	4	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:3:4:3:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5,6]-3:C-4:C-3:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]N[6])(C[6]C[5,6]CC)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])2(CH3)(COO)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]N[6])(C[6]C[5,6]CC)(C[5]C[5]O){3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])2(CH3)(COO){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	126.2200	0.000	1	126.2200	0.000	1	126.2200	0.000	1	126.2200	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:3:4:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-3:C-4:C-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CC)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CCHH)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CC)(C[5]O[5]O){1|C<3>,2|N<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CCHH)2{1|C<3>,1|N<2>,1|O<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	130.2940	0.000	1	130.2940	0.000	1	130.2940	0.000	1	130.2940	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:2:1:	C[5,5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:O[5]-2:H-1:	C[5,6](C[5,5a,6]Se[5,5a]C[5a,6])(C[6]C[6]HH)(C[5]O[5]H)	C[6](C[5,6]C[5,5a,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5a,6]C[6])(O[5]Se[5,5a])(H)	C[5,6](C[5,5a,6]Se[5,5a]C[5a,6])(C[6]C[6]HH)(C[5]O[5]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,5a,6]C[5])(C[6]C[6]HH)(H)2{1|Se<3>,1|C<3>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,5a,6]C[6])(O[5]Se[5,5a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	130.0750	0.642	2	130.0750	0.412	2	130.0750	0.412	2	126.6384	6.448	26	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:2:1:	C[5,6,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(O){3|C<4>,3|H<1>}	128.1150	0.000	1	128.1150	0.000	1	128.1150	0.000	1	126.6384	6.448	26	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:2:1:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6,6]-4:H-1:H-1:	C[5,6]-3:N[5]-2:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]HH)(C[5]N[5]H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6,6]C[6,6]N[6]H)(H)2	C[5](C[5,6]C[5,6,6a]C[6])(N[5]C[5,6a])(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]HH)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6,6]C[6,6]N[6]H)(H)2{1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6a]C[6])(N[5]C[5,6a])(H){1|C<4>,2|C<3>,2|H<1>}	134.2110	0.000	1	134.2110	0.000	1	134.2110	0.000	1	126.6384	6.448	26	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){2|C<4>,4|H<1>}	127.3980	0.000	1	127.3980	0.000	1	126.1573	2.448	20	126.6384	6.448	26	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,5])(O)	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,5])(O){1|N<3>,2|H<1>,3|C<4>}	127.2325	0.104	2	127.2325	0.011	2	126.1573	2.448	20	126.6384	6.448	26	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,1|C<4>,4|H<1>}	126.0490	0.000	1	126.1140	0.008	2	126.1573	2.448	20	126.6384	6.448	26	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){2|C<4>,4|H<1>}	126.1790	0.000	1	126.1140	0.008	2	126.1573	2.448	20	126.6384	6.448	26	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){3|C<4>,3|H<1>}	125.4785	0.172	2	125.4785	0.030	2	126.1573	2.448	20	126.6384	6.448	26	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|O<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){2|C<4>,4|H<1>}	127.0680	0.054	4	127.0680	0.003	4	126.1573	2.448	20	126.6384	6.448	26	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,1|C<4>,4|H<1>}	127.0050	0.000	1	126.2079	0.345	8	126.1573	2.448	20	126.6384	6.448	26	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|O<2>,2|C<4>,3|H<1>}	125.7340	0.170	2	126.2079	0.345	8	126.1573	2.448	20	126.6384	6.448	26	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){2|C<4>,4|H<1>}	126.1770	1.086	2	126.2079	0.345	8	126.1573	2.448	20	126.6384	6.448	26	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){2|C<4>,4|H<1>}	126.3800	0.204	2	126.2079	0.345	8	126.1573	2.448	20	126.6384	6.448	26	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){2|C<4>,4|H<1>}	126.0760	0.000	1	126.2079	0.345	8	126.1573	2.448	20	126.6384	6.448	26	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]Se[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(O[5]Se[5,5])(O)	C[5,6](C[5,6]Se[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]Se[5,5])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.1630	0.000	1	120.1630	0.000	1	126.1573	2.448	20	126.6384	6.448	26	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:S[5]-2:H-1:	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(C[5]S[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(S[5]S[5])(H)	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(C[5]S[5]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|S<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(S[5]S[5])(H){1|C<3>,1|C<4>,2|H<1>}	125.3120	0.000	1	125.3120	0.000	1	125.3120	0.000	1	126.6384	6.448	26	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:Se[5]-2:H-1:	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]Se[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6])(Se[5]Se[5])(H)	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]Se[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)2{2|Se<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(Se[5]Se[5])(H){1|C<3>,1|C<4>,2|H<1>}	121.6640	0.000	1	121.6640	0.000	1	121.6640	0.000	1	126.6384	6.448	26	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:2:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:O[5]-2:C-3:	C[5,6](C[5,6]C[4,6]C[5])(C[6]C[6]HH)(C[5]O[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CCH)	C[5,6](C[5,6]C[4,6]C[5])(C[6]C[6]HH)(C[5]O[5]C){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CCH){1|O<1>,2|C<4>,2|H<1>}	125.6630	0.000	1	125.6630	0.000	1	125.6630	0.000	1	125.6630	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6,6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6]HH)(C[5]N[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]2C)(H)2	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6]HH)(C[5]N[5]H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]2C)(H)2{2|N<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(H){2|C<4>,3|H<1>}	131.4112	0.273	4	131.4112	0.074	4	131.4112	0.074	4	128.2475	10.936	23	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:Br-1:	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]Br)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]Se[5])(Br)	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]Br){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Br<1>,1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]Se[5])(Br){2|C<3>,2|C<4>,2|H<1>}	125.3455	0.255	2	125.3455	0.065	2	125.3455	0.065	2	128.2475	10.936	23	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(H){1|C<3>,2|C<4>,2|H<1>}	126.4290	0.000	1	126.4290	0.000	1	130.8913	15.689	3	128.2475	10.936	23	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	133.9910	0.000	1	133.1225	1.509	2	130.8913	15.689	3	128.2475	10.936	23	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	132.2540	0.000	1	133.1225	1.509	2	130.8913	15.689	3	128.2475	10.936	23	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:I-1:	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]I)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]Se[5])(I)	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]I){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,1|I<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]Se[5])(I){2|C<3>,2|C<4>,2|H<1>}	124.5300	0.000	1	124.5300	0.000	1	124.5300	0.000	1	128.2475	10.936	23	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:O-1:	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(O)	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(O){1|C<3>,1|C<4>,3|H<1>}	130.9650	0.000	1	130.9650	0.000	1	130.9650	0.000	1	128.2475	10.936	23	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	125.8775	0.709	10	125.8775	0.503	10	125.8775	0.503	10	128.2475	10.936	23	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:1:	N[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]N[5]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]N[5])(H)	C[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]N[5]H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]N[5])(H){2|C<3>,2|C<4>,2|H<1>}	133.2060	0.033	2	133.2060	0.001	2	133.2060	0.001	2	128.2475	10.936	23	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-2:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)(CN)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|Si<4>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)(CN){1|Si<4>,2|C<4>,2|H<1>}	103.7230	0.000	1	103.7230	0.000	1	113.3795	186.496	2	113.3795	186.496	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-2:	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]Se[5])(CC)	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]Se[5])(CC){2|C<3>,2|C<4>,2|H<1>}	123.0360	0.000	1	123.0360	0.000	1	113.3795	186.496	2	113.3795	186.496	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CCO)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CCO){2|C<4>,3|H<1>}	130.3420	0.000	1	130.3420	0.000	1	128.0770	10.260	2	128.0770	10.260	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]Se[5]N)(COO)	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]Se[5]N)(COO){2|C<4>,2|H<1>}	125.8120	0.000	1	125.8120	0.000	1	128.0770	10.260	2	128.0770	10.260	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]P[5])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]P[5]H)(CH3)	C[5,6](C[5,6]C[6]P[5])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,1|W<6>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]P[5]H)(CH3){1|C<3>,1|W<6>,2|C<4>,2|H<1>}	122.4220	0.000	1	122.4220	0.000	1	122.4220	0.000	1	124.8910	12.192	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:Si-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]Si)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)(SiC3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]Si){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)(SiC3){1|C<2>,2|C<4>,2|H<1>}	127.3600	0.000	1	127.3600	0.000	1	127.3600	0.000	1	124.8910	12.192	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:4:1:	C[5,5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5])(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(O)	C[5,6](C[5,5,6]C[5,5,6]C[5,5])(C[6]C[6]HH)(C[5]C[5]O){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(O){3|C<4>,3|H<1>}	127.7840	0.000	1	127.7840	0.000	1	127.7840	0.000	1	127.4434	3.419	7	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(C[5]C[5]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|O<1>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O){3|C<4>,3|H<1>}	125.7290	0.134	2	125.7290	0.018	2	125.7290	0.018	2	127.4434	3.419	7	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O)	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]O){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O){3|C<4>,3|H<1>}	125.8250	0.000	1	125.8250	0.000	1	125.8250	0.000	1	127.4434	3.419	7	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	128.1810	0.000	1	128.1810	0.000	1	129.4625	3.284	2	127.4434	3.419	7	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H){2|H<1>,3|C<4>}	130.7440	0.000	1	130.7440	0.000	1	129.4625	3.284	2	127.4434	3.419	7	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(O){1|C<3>,2|C<4>,2|H<1>}	128.1120	0.000	1	128.1120	0.000	1	128.1120	0.000	1	127.4434	3.419	7	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(CCH)	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C){2|C<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(CCH){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	126.8845	0.333	2	126.8845	0.111	2	126.8845	0.111	2	126.8845	0.111	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(CHHN)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(CHHN){2|C<4>,3|H<1>}	130.1080	0.000	1	130.1080	0.000	1	130.1080	0.000	1	130.1080	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:2:1:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HO)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){2|C<4>,2|H<1>,2|O<2>}	125.2260	0.000	1	125.2260	0.000	1	125.2260	0.000	1	125.2260	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:2:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]HO)(C[5]N[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]O)(O)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]HO)(C[5]N[5]O){1|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]O)(O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	130.3687	0.837	3	130.3687	0.701	3	130.3687	0.701	3	130.3687	0.701	3	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:2:1:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(OH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O){1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	127.9990	0.000	1	127.9990	0.000	1	127.9990	0.000	1	127.9990	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:4:1:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,5])(O)	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]CH)(C[5]O[5]O){1|N<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,5])(O){1|H<1>,1|N<3>,4|C<4>}	125.9180	0.000	1	125.9180	0.000	1	124.9506	0.454	5	125.4157	1.661	6	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:4:1:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|H<1>,1|O<2>,4|C<4>}	124.7115	0.804	2	124.7088	0.215	4	124.9506	0.454	5	125.4157	1.661	6	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:4:1:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){2|H<1>,4|C<4>}	124.7060	0.000	2	124.7088	0.215	4	124.9506	0.454	5	125.4157	1.661	6	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:4:1:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:Si-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]SiH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(SiC3)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]SiH)(C[5]O[5]O){2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(SiC3)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	127.7410	0.000	1	127.7410	0.000	1	127.7410	0.000	1	125.4157	1.661	6	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:4:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:Si-4:H-1:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]SiH)(C[5]N[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(SiC3)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]SiH)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(SiC3)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	127.3170	0.000	1	127.3170	0.000	1	127.3170	0.000	1	127.3170	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:4:1:	3:3:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[5]-3:O-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]CH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(OH)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]CH)(C[5]C[5]O){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(OH){1|C<3>,1|H<1>,2|C<4>}	134.1830	0.305	2	134.1830	0.093	2	134.1830	0.093	2	134.1830	0.093	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:4:1:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]HH)(CCCH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO)(O)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]HH)(CCCH)(H){1|O<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO)(O){1|O<2>,2|C<4>,3|H<1>}	129.5490	0.809	4	129.5490	0.655	4	129.5490	0.655	4	129.5490	0.655	4	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:4:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[5a]HO)(CH3)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]O[5]O){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[5a]HO)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){2|H<1>,4|C<4>}	124.2200	0.000	1	124.2200	0.000	1	124.2200	0.000	1	124.2200	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]N[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]N[5]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){2|C<3>,3|C<4>}	126.2610	0.000	1	126.2610	0.000	1	126.2610	0.000	1	126.2610	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	4:3:1:1:	3:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C){1|H<1>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(H)2{1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	132.8920	0.000	1	132.8920	0.000	1	133.0040	0.025	2	133.0040	0.025	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	4:3:1:1:	3:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{2|C<3>,2|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	133.1160	0.000	1	133.1160	0.000	1	133.0040	0.025	2	133.0040	0.025	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	4:3:3:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	128.2040	0.000	1	128.2040	0.000	1	128.2040	0.000	1	128.9655	0.273	4	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	4:3:3:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	129.3100	0.000	1	129.2193	0.023	3	129.2193	0.023	3	128.9655	0.273	4	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	4:3:3:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	129.1740	0.185	2	129.2193	0.023	3	129.2193	0.023	3	128.9655	0.273	4	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	4:3:3:1:	3:3:4:	P[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](P[5,6]P[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]C[5]C)	C[6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]P[5,6]C[6])(C[5]C[5]C)(CH3)	C[5,6](P[5,6]P[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]C[5]C){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|P<3>,2|H<1>,7|C<3>}	C[5](C[5,6]P[5,6]C[6])(C[5]C[5]C)(CH3){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	128.8030	0.004	2	128.8030	0.000	2	128.8030	0.000	2	128.8030	0.000	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	4:3:4:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C-4:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H){1|Si<4>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(H){1|Si<4>,2|H<1>,3|C<4>}	125.0330	0.000	1	125.0330	0.000	1	125.0330	0.000	1	125.0330	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:	4:3:4:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CHHO)(CH3)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CHHO)(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){2|H<1>,4|C<4>}	126.4000	0.140	2	126.4000	0.020	2	126.4000	0.020	2	126.4000	0.020	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:	3:3:3:1:	3:2:1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|N<3>,2|C<3>,3|H<1>}	128.3390	0.000	1	128.3390	0.000	1	128.3390	0.000	1	128.2605	0.093	6	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:	3:3:3:1:	3:2:1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|N<3>,2|C<3>,3|H<1>}	128.2312	0.389	4	128.2312	0.151	4	128.2448	0.114	5	128.2605	0.093	6	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:	3:3:3:1:	3:2:1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|N<3>,2|C<3>,3|H<1>}	128.2990	0.000	1	128.2990	0.000	1	128.2448	0.114	5	128.2605	0.093	6	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5a]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[6]C[5a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	C[5,6](C[6]C[5a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	128.7480	0.000	1	128.7480	0.000	1	128.7480	0.000	1	127.5068	1.222	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	127.5730	0.158	2	127.5730	0.025	2	127.5730	0.025	2	127.5068	1.222	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<2>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|C<3>,3|N<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	125.7310	0.000	1	126.8200	2.372	2	126.8200	2.372	2	127.5068	1.222	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|C<3>,3|N<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	127.9090	0.000	1	126.8200	2.372	2	126.8200	2.372	2	127.5068	1.222	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]C[5]O){4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|N<3>,2|C<3>,3|H<1>}	126.9780	0.000	1	126.9780	0.000	1	126.9780	0.000	1	127.3923	0.226	3	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O){4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|N<3>,2|C<3>,3|H<1>}	127.2880	0.000	1	127.2880	0.000	1	127.5995	0.194	2	127.3923	0.226	3	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O){4|C<3>,5|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|N<3>,2|C<3>,3|H<1>}	127.9110	0.000	1	127.9110	0.000	1	127.5995	0.194	2	127.3923	0.226	3	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:	3:3:3:3:	3:3:2:	C[6]-4:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C-2:	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]C[5]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CN)	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]C[5]C){1|O<1>,2|C<2>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)2{1|C<2>,1|C<4>,5|H<1>,8|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CN){2|C<2>,4|C<3>}	128.5300	0.605	3	128.5300	0.367	3	128.5300	0.367	3	128.5300	0.367	3	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]CH)(H){4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	131.7130	0.000	1	131.7130	0.000	1	131.7130	0.000	1	131.7130	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:	3:3:4:1:	3:3:4:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:N[5]-3:C-4:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(CH3)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]C){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	129.8150	0.000	1	129.8150	0.000	1	132.0720	10.188	2	132.0720	10.188	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:	3:3:4:1:	3:3:4:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:N[5]-3:C-4:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]O[6])(C[5]N[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(CH3)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]O[6])(C[5]N[5]C){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	134.3290	0.000	1	134.3290	0.000	1	132.0720	10.188	2	132.0720	10.188	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:	3:3:4:2:	3:4:4:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[6]-4:O-2:	C[5,6]-3:C[5,5]-4:C-4:	C[5,6](C[6]C[6a]C[6]O)(C[5,6]N[5]S[6])(C[5]C[5,5]C)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(CH3)	C[5,6](C[6]C[6a]C[6]O)(C[5,6]N[5]S[6])(C[5]C[5,5]C){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|N<2>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	131.5113	1.074	3	131.5113	1.154	3	131.5113	1.154	3	131.5113	1.154	3	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:	4:3:3:1:	3:3:4:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]C[6a]C[5])	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]C[6a]C[5]){3|H<1>,9|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,8|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,3|H<1>,4|C<3>}	128.4650	0.000	1	128.4650	0.000	1	128.4650	0.000	1	127.1910	3.246	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:	4:3:3:1:	3:3:4:	C[6]-4:P[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[6]C[5,6]C[6a]H)(P[5,6]P[5,6]C[5])(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]P[5,6]C[6])(C[5]C[5]C)(CH3)	C[5,6](C[6]C[5,6]C[6a]H)(P[5,6]P[5,6]C[5])(C[5]C[5]C){3|C<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H){1|P<3>,2|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6]P[5,6]C[6])(C[5]C[5]C)(CH3){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	125.9170	0.000	1	125.9170	0.000	1	125.9170	0.000	1	127.1910	3.246	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:	4:3:3:1:	3:4:1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6])(C[5]C[5]O)	C[6](C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6])(C[5]C[5]O){1|S<2>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	126.6430	0.000	1	126.6430	0.000	1	126.6430	0.000	1	126.6430	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:	3:2:1:1:	4:3:1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]O[6]HH)	C[6](C[5,6]C[5,6,6]C[5])(O[6]C[6])(H)2	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6])(H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]O[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	133.1840	0.000	1	133.1840	0.000	1	133.1840	0.000	1	132.1533	0.508	4	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:	3:2:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]H)(C[6]O[6]HH)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(H)2	C[5](C[5,5]C[5,5]N[5,5]C)(C[5,6]C[5,6]C[6])(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]H)(C[6]O[6]HH){2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]N[5,5]C)(C[5,6]C[5,6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	131.9910	0.000	1	131.9910	0.000	1	131.8097	0.054	3	132.1533	0.508	4	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:	3:2:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5,5]H)(C[6]O[6]HH)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5,5]H)(C[6]O[6]HH){4|C<3>}	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	131.7190	0.243	2	131.7190	0.059	2	131.8097	0.054	3	132.1533	0.508	4	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:	3:2:4:1:	3:3:4:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:O[6]-2:C-4:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5])(C[6]O[6]CH)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(CH3)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5])(C[6]O[6]CH){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(CH3)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	130.0740	0.000	1	130.0740	0.000	1	130.0740	0.000	1	130.0740	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:Br-1:	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Br)(C[6]N[6]HH)	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(Br)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Br)(C[6]N[6]HH){1|O<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(Br){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	128.8450	0.000	1	128.8450	0.000	1	128.8450	0.000	1	128.7160	0.033	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:Cl-1:	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Cl)(C[6]N[6]HH)	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(Cl)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Cl)(C[6]N[6]HH){1|O<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2{1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(Cl){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	128.5870	0.000	1	128.5870	0.000	1	128.5870	0.000	1	128.7160	0.033	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:	3:3:1:1:	3:3:3:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,6a]C[6,6a]C[6,6])(C[5]C[5,6a]C[6a])(C[6]N[6]HH)	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6,6]C[5,6a]C[6,6a]C[6,6])(C[5]C[5,6a]C[6a])(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<4>,6|C<3>}	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	129.0160	0.000	1	129.0160	0.000	1	129.0160	0.000	1	129.0160	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	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[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	129.7660	0.000	1	129.7660	0.000	1	131.1935	4.076	2	130.5020	2.209	4	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	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[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,2|C<4>,5|H<1>}	132.6210	0.000	1	132.6210	0.000	1	131.1935	4.076	2	130.5020	2.209	4	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	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[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){2|C<4>,5|C<3>,5|H<1>}	129.8105	0.798	2	129.8105	0.637	2	129.8105	0.637	2	130.5020	2.209	4	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:4:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5a]-3:C[5,6]-3:C-4:	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6])(CH3)	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6])(CH3){2|C<3>,2|C<4>,4|H<1>}	129.9090	0.000	1	129.9090	0.000	1	130.2320	0.209	2	130.4292	0.545	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:4:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5a]-3:C[5,6]-3:C-4:	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(CSiHH)	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(CSiHH){2|C<3>,2|C<4>,4|H<1>}	130.5550	0.000	1	130.5550	0.000	1	130.2320	0.209	2	130.4292	0.545	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:4:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5a]-3:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5a]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5a]C[5])(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	129.4910	0.000	1	129.4910	0.000	1	129.4910	0.000	1	130.4292	0.545	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:4:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:Si-4:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]Si)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(SiC3)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]Si)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(SiC3){2|C<3>,2|C<4>,4|H<1>}	131.0955	0.356	2	131.0955	0.127	2	131.0955	0.127	2	130.4292	0.545	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]H)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2O[5])(H)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]H)(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2O[5])(H){1|C<3>,5|C<4>,5|H<1>}	131.8030	0.000	1	131.8030	0.000	1	131.8030	0.000	1	131.8030	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6]C[5,6,6]C[6])(H)	C[5,6](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HH){2|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6]C[5,6,6]C[6])(H){3|C<3>,3|H<1>,4|C<4>}	132.8270	0.000	1	132.8270	0.000	1	132.8270	0.000	1	131.8520	1.901	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5,6]H)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6]C[5,6]C[6])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6]C[5,6]C[6])(H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,5|H<1>}	130.8770	0.000	1	130.8770	0.000	1	130.8770	0.000	1	131.8520	1.901	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	4:3:2:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[3,5,5]-4:C[5,6]-3:O-2:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[3,5,5]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(C[5,6]C[5,6]C[6])(OC)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[3,5,5]O)(C[6]C[6]HH){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(C[5,6]C[5,6]C[6])(OC){4|C<4>,7|H<1>}	131.0950	0.000	1	131.0950	0.000	1	131.0950	0.000	1	131.0950	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:	3:4:2:1:	3:4:1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5a,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HO)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OSi)(H)	C[5](C[5,6]C[5,6,6]C[6])(C[5,6]O[5,6]C[6]H)(H)	C[5,6](C[5,6,6]C[5a,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HO){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5,6]O[5,6]C[6]H)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	131.9810	0.000	1	131.9810	0.000	1	132.6140	0.801	2	132.6140	0.801	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:	3:4:2:1:	3:4:1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]C[6]HO)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]C[5,6,6]C[6])(C[5,6]O[5,6]C[6]H)(H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]C[6]HO){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5,6]O[5,6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	133.2470	0.000	1	133.2470	0.000	1	132.6140	0.801	2	132.6140	0.801	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|Br<1>,2|C<3>,5|C<4>}	128.5185	0.839	4	128.4058	0.591	5	128.4058	0.591	5	128.4058	0.591	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|H<1>,2|C<3>,5|C<4>}	127.9550	0.000	1	128.4058	0.591	5	128.4058	0.591	5	128.4058	0.591	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:	3:4:4:4:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6]C[6]CC)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6]C[6]CC){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H){1|C<3>,1|H<1>,7|C<4>}	130.5700	0.000	1	130.5700	0.000	1	130.5700	0.000	1	130.5700	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:2:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]O[6]C)(C[6]O[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[5]O[6]C)(C[6]O[6]HH)(C[5]C[5]H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(H){1|C<4>,2|O<2>,4|H<1>}	130.5910	0.000	1	130.5910	0.000	1	130.5910	0.000	1	130.5910	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:2:2:1:	3:3:3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:O[6]-2:O-2:H-1:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(COO)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(COO){1|C<4>,2|H<1>,2|O<2>}	131.3970	0.000	1	131.3970	0.000	1	130.3190	0.872	3	130.3190	0.872	3	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:2:2:1:	3:3:3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:O[6]-2:O-2:H-1:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]O[5]O)(C[6]O[6]HO)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(COO)	C[5,6](C[5,6]C[6,6]O[5]O)(C[6]O[6]HO)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(COO){1|C<4>,1|H<1>,3|O<2>}	129.7800	0.000	2	129.7800	0.000	2	130.3190	0.872	3	130.3190	0.872	3	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:3:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:N[6]-3:H-1:H-1:	C[5,6]-3:N[5]-3:H-1:	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]N[5]H)	C[6](C[5,6]C[5,5,6]C[5])(N[6]C[6]S)(H)2	C[5](C[5,6]C[5,5,6]C[6])(N[5]C[5,5]S)(H)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]N[5]H){1|C<4>,1|N<3>,2|C<3>,2|S<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(N[5]C[5,5]S)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	128.6650	0.000	1	128.6650	0.000	1	128.6650	0.000	1	130.4955	6.701	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]C[5])(H)2	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5]O)(H)	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]C[5])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5]O)(H){2|C<3>,2|C<4>,2|H<1>}	132.3260	0.000	1	132.3260	0.000	1	132.3260	0.000	1	130.4955	6.701	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:3:3:1:	3:3:3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]N[6]H)(C[5]C[6a]C[5])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]O[6]S)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]N[6]H)(C[5]C[6a]C[5]){1|O<1>,1|O<2>,1|S<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]O[6]S)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	129.4170	0.000	1	129.4170	0.000	1	129.4170	0.000	1	129.4170	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:3:4:4:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[5,6]-3:C-4:C-4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[5,6]CC)(C[5]C[5,6a]H)	C[6](N[5,6]C[5,6a]O[5,6])(C[5,6]C[5,6]C[5])(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[5,6]CC)(C[5]C[5,6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6](N[5,6]C[5,6a]O[5,6])(C[5,6]C[5,6]C[5])(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	130.6510	0.000	1	130.6510	0.000	1	130.6510	0.000	1	130.6510	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]CH)(H)2{1|H<1>,2|N<3>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(H){2|C<3>,2|C<4>,2|H<1>}	132.8930	0.000	1	132.8930	0.000	1	132.8930	0.000	1	130.6264	2.182	11	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:Cl-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]Cl)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(Cl)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]Cl){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]CH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(Cl){2|C<3>,2|C<4>,3|H<1>}	130.4310	0.000	1	130.4310	0.000	1	130.4310	0.000	1	130.6264	2.182	11	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(H){2|H<1>,3|C<4>}	131.8410	0.000	1	131.8410	0.000	1	130.5705	3.228	2	130.6264	2.182	11	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6a]CH)(H)2	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6a]CH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(H){2|C<3>,2|C<4>,3|H<1>}	129.3000	0.000	1	129.3000	0.000	1	130.5705	3.228	2	130.6264	2.182	11	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]N[5]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6])(N[5]C[5,6]S)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]N[5]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(N[5]C[5,6]S)(H){1|C<4>,2|C<3>,4|H<1>}	129.5450	0.000	1	129.5450	0.000	1	129.5450	0.000	1	130.6264	2.182	11	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){2|C<4>,5|H<1>}	129.4170	0.000	1	129.4170	0.000	1	130.4800	2.422	6	130.6264	2.182	11	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]O[6]C)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]O[6]C)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){2|C<4>,5|H<1>}	130.1675	0.783	2	130.1675	0.613	2	130.4800	2.422	6	130.6264	2.182	11	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H){2|H<1>,3|C<4>}	132.0590	0.000	1	132.0590	0.000	1	130.4800	2.422	6	130.6264	2.182	11	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[6]O[5]N)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6]O[5]N)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H){1|N<3>,2|C<4>,2|H<1>}	132.4930	0.000	1	132.4930	0.000	1	130.4800	2.422	6	130.6264	2.182	11	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[6]P[5]H)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]P[5]B)(H)	C[5,6](C[5,6]C[6]P[5]H)(C[6]C[6]HH)(C[5]C[5]H){1|B<3>,1|C<2>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]P[5]B)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	128.5760	0.000	1	128.5760	0.000	1	130.4800	2.422	6	130.6264	2.182	11	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:O-2:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(OH)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]O){1|H<1>,2|O<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(OH){1|C<3>,2|H<1>,4|C<4>}	126.6720	0.000	1	126.6720	0.000	1	126.6720	0.000	1	126.6720	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:4:	C[4,5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[4,5,6]C[4,5,6]C[4,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C)	C[6](C[5,6]C[4,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[4,5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[4,5,6]C[4,5,6]C[4,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[4,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,6|C<4>}	C[5](C[5,6]C[4,5,6]C[6])(C[5]O[5]O)(CH3){2|H<1>,3|C<4>}	128.4330	0.393	2	128.4330	0.155	2	128.4330	0.155	2	130.5814	6.026	16	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:4:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|O<2>,5|C<4>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	131.7050	0.000	1	131.7050	0.000	1	131.7050	0.000	1	130.5814	6.026	16	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:4:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,6|C<4>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CH3){2|H<1>,3|C<4>}	129.7910	0.000	1	129.7910	0.000	1	129.7910	0.000	1	130.5814	6.026	16	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){3|C<4>,4|H<1>}	127.6860	0.000	1	127.6860	0.000	1	131.1021	8.398	10	130.5814	6.026	16	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]F)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]F)(CH3){1|C<3>,2|C<4>,3|H<1>}	131.0210	0.000	1	131.0210	0.000	1	131.1021	8.398	10	130.5814	6.026	16	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	128.2450	0.000	1	128.2450	0.000	1	131.1021	8.398	10	130.5814	6.026	16	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){2|C<4>,5|H<1>}	129.0000	0.000	1	129.0000	0.000	1	131.1021	8.398	10	130.5814	6.026	16	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH){3|C<4>,4|H<1>}	130.1760	0.000	1	130.1760	0.000	1	131.1021	8.398	10	130.5814	6.026	16	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH){2|C<4>,5|H<1>}	128.1120	0.000	1	128.1120	0.000	1	131.1021	8.398	10	130.5814	6.026	16	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CCHH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CCHH){2|C<4>,3|H<1>}	132.7930	0.000	1	132.7930	0.000	1	131.1021	8.398	10	130.5814	6.026	16	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]N[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HH)	C[5,6](C[5,6]N[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HH){2|C<4>,2|H<1>,2|O<2>}	134.6627	0.565	3	134.6627	0.319	3	131.1021	8.398	10	130.5814	6.026	16	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:Si-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]Si)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)(SiC3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]Si){1|C<2>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)(SiC3){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	129.9595	0.228	2	129.9595	0.052	2	129.9595	0.052	2	130.5814	6.026	16	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[6]O[5]2)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H){1|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[6]O[5]2)(H)2{3|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){3|C<4>,4|H<1>}	128.8425	0.033	2	128.8425	0.001	2	128.8425	0.001	2	129.5664	0.745	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2{2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){2|C<4>,5|H<1>}	130.7560	0.000	1	130.7560	0.000	1	130.0490	0.616	3	129.5664	0.745	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	130.1870	0.000	1	130.1870	0.000	1	130.0490	0.616	3	129.5664	0.745	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]CH)(H){1|S<4>,2|C<4>,3|H<1>}	129.2040	0.000	1	129.2040	0.000	1	130.0490	0.616	3	129.5664	0.745	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(CHO)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(CHO){3|C<4>,4|H<1>}	129.7660	0.000	1	129.7660	0.000	1	129.7660	0.000	1	129.7660	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{7|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){3|C<4>,4|H<1>}	128.8660	0.000	1	128.8660	0.000	1	129.6295	1.166	2	129.6295	1.166	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2{1|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){3|C<4>,4|H<1>}	130.3930	0.000	1	130.3930	0.000	1	129.6295	1.166	2	129.6295	1.166	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:2:1:	3:3:4:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5,6]-4:O-2:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6,6]C[6,6]2O[5])(C[6]C[5,6]HO)(C[5]C[5]C)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6,6]C[6,6]2O[5])(C[6]C[5,6]HO)(C[5]C[5]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(OC)(H){1|O<2>,3|C<3>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	129.0350	0.000	1	129.0350	0.000	1	129.0350	0.000	1	129.0350	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:3:3:	3:3:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-3:C-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]CC)(C[5]C[5]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(COO)2	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(COO)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(H){1|H<1>,3|C<3>,3|C<4>}	127.1915	0.573	2	127.1915	0.329	2	127.1915	0.329	2	127.6088	2.984	4	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:3:3:	3:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-3:C-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CC)(C[5]C[5]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(COO)2	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(COO)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(H){1|H<1>,3|C<3>,3|C<4>}	130.0170	0.000	1	130.0170	0.000	1	130.0170	0.000	1	127.6088	2.984	4	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-3:C-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){1|H<1>,3|C<3>,3|C<4>}	126.0350	0.000	1	126.0350	0.000	1	126.0350	0.000	1	127.6088	2.984	4	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){2|H<1>,5|C<4>}	128.2310	0.000	1	128.2310	0.000	1	128.2310	0.000	1	128.2310	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:4:1:	3:3:4:	C[5,3x6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6]CH)(C[5]C[5]C)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCHH)(H)	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]O)(CCCH)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6]CH)(C[5]C[5]C){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]O)(CCCH){3|H<1>,4|C<4>}	131.6658	2.418	4	131.6658	5.848	4	131.6658	5.848	4	131.6658	5.848	4	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:4:1:	3:4:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5]C[6]C)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]C){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5]C[6]C)(CCHH)(H){1|O<2>,3|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){3|H<1>,4|C<4>}	131.8370	0.000	1	131.8370	0.000	1	131.8370	0.000	1	131.8370	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:4:4:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){1|C<3>,1|O<2>,5|C<4>}	125.6435	0.544	2	125.7183	0.165	3	125.7183	0.165	3	125.7183	0.165	3	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:4:4:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){1|H<1>,6|C<4>}	125.8680	0.000	1	125.7183	0.165	3	125.7183	0.165	3	125.7183	0.165	3	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)(CH3){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){1|H<1>,6|C<4>}	126.6270	0.000	1	126.6270	0.000	1	127.5985	1.888	2	127.5985	1.888	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClC)(CH3)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClC)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){1|C<3>,1|H<1>,5|C<4>}	128.5700	0.000	1	128.5700	0.000	1	127.5985	1.888	2	127.5985	1.888	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	4:3:1:1:	3:3:4:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,5,6]O[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5])(H)2	C[5](C[5,6]C[5,5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,5,6]O[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]C){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5])(H)2{1|C<3>,3|O<2>,6|C<4>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	134.5990	0.000	1	134.5990	0.000	1	134.5990	0.000	1	131.8223	2.518	9	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	4:3:1:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]C)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2{1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){2|C<4>,5|H<1>}	129.7840	0.000	1	129.6505	0.036	2	129.6505	0.036	2	131.8223	2.518	9	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	4:3:1:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]C)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2{1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){2|C<4>,5|H<1>}	129.5170	0.000	1	129.6505	0.036	2	129.6505	0.036	2	131.8223	2.518	9	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	4:3:1:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	132.8605	0.332	2	132.8605	0.110	2	132.0835	0.510	6	131.8223	2.518	9	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	4:3:1:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{2|O<2>,3|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	131.9900	0.000	1	131.6950	0.210	4	132.0835	0.510	6	131.8223	2.518	9	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	4:3:1:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{1|C<3>,1|H<1>,2|O<2>,6|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	132.0410	0.000	1	131.6950	0.210	4	132.0835	0.510	6	131.8223	2.518	9	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	4:3:1:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{1|C<3>,3|O<2>,6|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	131.7050	0.000	1	131.6950	0.210	4	132.0835	0.510	6	131.8223	2.518	9	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	4:3:1:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{3|C<3>,3|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	131.0440	0.000	1	131.6950	0.210	4	132.0835	0.510	6	131.8223	2.518	9	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	4:3:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]H)	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]H){1|C<4>,1|N<3>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5,6]C[5])(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H){2|C<4>,3|H<1>}	132.8480	0.000	1	132.8480	0.000	1	132.8480	0.000	1	132.8480	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	4:3:2:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H){2|C<3>,2|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	129.9820	0.000	1	129.9820	0.000	1	129.9820	0.000	1	131.9074	2.002	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	4:3:2:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	132.9700	0.000	1	132.9700	0.000	1	132.3888	1.125	4	131.9074	2.002	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	4:3:2:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H){1|C<3>,1|H<1>,3|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	132.3720	0.000	1	131.6395	1.073	2	132.3888	1.125	4	131.9074	2.002	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	4:3:2:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	130.9070	0.000	1	131.6395	1.073	2	132.3888	1.125	4	131.9074	2.002	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	4:3:2:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	133.3060	0.000	1	133.3060	0.000	1	132.3888	1.125	4	131.9074	2.002	5	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	4:3:2:1:	3:4:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-3:C[5]-4:C-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]C)	C[6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5,6]C[5])(OH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]C){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5,6]C[5])(OH)(H){3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3){1|O<2>,2|C<4>,4|H<1>}	131.3880	0.000	1	131.3880	0.000	1	131.3880	0.000	1	131.3880	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C-4:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CH)(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)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CH)(C[5]C[5]H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H){1|H<1>,1|O<2>,3|C<4>}	132.5730	0.000	1	132.5730	0.000	1	132.5730	0.000	1	132.5730	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	4:3:4:2:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C-4:O-2:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CO)(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)(OC)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HO)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CO)(C[5]C[5]H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)(OC){3|H<1>,3|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HO)(H){2|O<2>,3|C<4>}	130.1845	0.360	2	130.1845	0.130	2	130.1845	0.130	2	130.1845	0.130	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	4:3:4:4:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CC)(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[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CC)(C[5]C[5]H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)2{2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H){1|O<2>,4|C<4>}	131.0470	0.074	2	131.0470	0.005	2	131.0470	0.005	2	131.0470	0.005	2	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:	4:3:4:4:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,6]2H)(C[6]C[5,6]CC)(C[5]C[5,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CH3)2	C[5](C[5,6]C[5,6]P[6]H)(C[5,6]C[5,6]C[6])(H)	C[5,6](C[5,6]C[5,6]2H)(C[6]C[5,6]CC)(C[5]C[5,6]H){1|B<4>,1|P<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CH3)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]P[6]H)(C[5,6]C[5,6]C[6])(H){1|B<4>,2|C<3>,2|H<1>,5|C<4>}	126.8220	0.000	1	126.8220	0.000	1	126.8220	0.000	1	126.8220	0.000	1	128.2513	9.766	327	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:2:1:	C[3x6]-4:C[5]-3:N[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:N[5]-2:Br-1:	C[5](C[3x6]C[6,6]3)(C[5]N[5]Br)(N[5]O[5]O)	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]N[5])	C[5](C[5]C[3x6]N[5])(N[5]O[5])(Br)	C[5](C[3x6]C[6,6]3)(C[5]N[5]Br)(N[5]O[5]O){3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]N[5]){1|Br<1>,1|N<2>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[3x6]N[5])(N[5]O[5])(Br){1|O<1>,3|C<4>}	136.2660	0.000	1	136.2660	0.000	1	136.2660	0.000	1	136.2660	0.000	1	133.7960	12.202	2	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:N[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[3x6]C[6,6]3)(C[5]C[5]H)(N[5]N[5]H)	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]N[5])	C[5](C[5]C[3x6]N[5])(C[5]C[6]N[5])(H)	C[5](C[3x6]C[6,6]3)(C[5]C[5]H)(N[5]N[5]H){1|Cu<4>,1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]N[5]){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](C[5]C[3x6]N[5])(C[5]C[6]N[5])(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,3|C<4>}	131.3260	0.000	1	131.3260	0.000	1	131.3260	0.000	1	131.3260	0.000	1	133.7960	12.202	2	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6,6]	C[5]	4:4:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[5]-4:C[5]-3:	C[3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6,6]C[3x6]2H)(C[5]C[5]C[6]H)(C[5]C[5]H)	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2)(H)	C[5](C[5]C[6,6]C[5])(C[5]C[5]H)(H)	C[5](C[6,6]C[3x6]2H)(C[5]C[5]C[6]H)(C[5]C[5]H){1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2)(H){10|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[6,6]C[5])(C[5]C[5]H)(H){3|C<4>,3|H<1>}	127.1040	0.000	1	127.1040	0.000	1	127.1040	0.000	1	127.1040	0.000	1	127.1040	0.000	1	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5,6,6]	3:4:2:	3:4:4:1:	3:4:3:	C[5,6,6]-3:C[6]-4:S[5]-2:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6]C[6]2H)(S[5]S[5])	C[6](C[5]C[5,6,6]S[5])(C[6]C[6]HH)2(H)	C[5,6,6](C[5,6,6]C[3x6]S[5])(C[3x6]C[6,6]2H)(C[5]C[6]S[5])	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6]C[6]2H)(S[5]S[5]){5|C<4>,5|H<1>}	C[6](C[5]C[5,6,6]S[5])(C[6]C[6]HH)2(H){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]S[5])(C[3x6]C[6,6]2H)(C[5]C[6]S[5]){4|C<4>,6|H<1>}	127.6230	0.000	1	127.6230	0.000	1	127.6230	0.000	1	127.6230	0.000	1	127.6230	0.000	1	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5,6]	3:3:4:	3:4:4:1:	4:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]C[6])(C[6]C[6]2H)	C[6](C[5]C[5,6]C[5])(C[6]C[6,6]HH)2(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C[6])	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,8|C<4>}	C[6](C[5]C[5,6]C[5])(C[6]C[6,6]HH)2(H){1|C<3>,2|H<1>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C[6]){1|C<3>,5|C<4>,7|H<1>}	127.4640	0.000	1	127.4640	0.000	1	127.4640	0.000	1	127.4640	0.000	1	127.4640	0.000	1	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a,6a]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6]C[6,6a]2H){1|H<1>,9|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])(H){1|N<3>,2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a,6a]2){2|H<1>,9|C<3>}	128.7270	0.000	1	128.7270	0.000	1	128.7270	0.000	1	128.7270	0.000	1	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]C[6])(C[6]C[6]2H)	C[6](C[5]C[5,6]C[5])(C[6]C[6,6]HH)2(H)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C[6])(C[6]C[6]2H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,8|C<4>}	C[6](C[5]C[5,6]C[5])(C[6]C[6,6]HH)2(H){1|C<3>,2|H<1>,6|C<4>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C[6])(C[6]C[6]2H){2|C<3>,5|H<1>,7|C<4>}	122.6650	0.000	1	122.6650	0.000	1	122.6650	0.000	1	122.6650	0.000	1	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:	4:3:3:1:	4:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(O)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(C[6]C[6]2H){2|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(O){2|C<4>,2|H<1>,4|C<3>}	120.3450	0.710	3	120.3450	0.505	3	120.3450	0.505	3	120.3450	0.505	3	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:	4:3:3:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6])(CCO)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(C[6]C[6]2H){2|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6])(CCO){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	130.9985	0.091	2	131.2053	0.133	3	131.2053	0.133	3	131.2053	0.133	3	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:	4:3:3:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6])(CCO)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(C[6]C[6]2H){2|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6])(CCO){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	131.6190	0.000	1	131.2053	0.133	3	131.2053	0.133	3	131.2053	0.133	3	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:4:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C[6])(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C[6])(C[6]C[6]2H){2|C<3>,5|H<1>,7|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,8|C<4>}	122.0740	0.000	1	122.0740	0.000	1	122.0740	0.000	1	122.2316	0.468	7	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:4:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|C<3>,1|O<2>,6|H<1>,7|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	122.5840	0.000	1	122.0453	0.458	3	122.2578	0.556	6	122.2316	0.468	7	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:4:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|C<3>,7|C<4>,7|H<1>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){2|C<3>,6|C<4>,6|H<1>}	122.2660	0.000	1	122.0453	0.458	3	122.2578	0.556	6	122.2316	0.468	7	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:4:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|Cl<1>,1|C<3>,6|H<1>,7|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){1|Cl<1>,2|C<3>,5|H<1>,6|C<4>}	121.2860	0.000	1	122.0453	0.458	3	122.2578	0.556	6	122.2316	0.468	7	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:4:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){1|Cl<1>,2|C<3>,5|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,2|H<1>,5|C<4>}	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|Cl<1>,1|C<3>,6|H<1>,7|C<4>}	123.3150	0.000	1	122.4703	0.796	3	122.2578	0.556	6	122.2316	0.468	7	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:4:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,2|H<1>,5|C<4>}	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|C<3>,1|O<2>,6|H<1>,7|C<4>}	121.5370	0.000	1	122.4703	0.796	3	122.2578	0.556	6	122.2316	0.468	7	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:4:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){2|C<3>,6|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,2|H<1>,5|C<4>}	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|C<3>,7|C<4>,7|H<1>}	122.5590	0.000	1	122.4703	0.796	3	122.2578	0.556	6	122.2316	0.468	7	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:4:3:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[6]-4:C[5]-3:	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){7|H<1>,8|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C){6|C<4>,6|H<1>}	122.9020	0.018	2	122.9020	0.000	2	122.9020	0.000	2	122.9020	0.000	2	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[3,5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[3,5,6,6]C[6])(C[5]C[3,5,6]C[6a])(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[3,5,6]C[3,5,6,6]C[3,6]C[6])(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5](C[5]C[3,5,6,6]C[6])(C[5]C[3,5,6]C[6a])(C[6]C[6]2H){2|C<3>,5|H<1>,7|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[5](C[3,5,6]C[3,5,6,6]C[3,6]C[6])(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,6|C<4>,6|H<1>}	127.5230	0.000	1	127.5230	0.000	1	127.5230	0.000	1	128.2314	0.289	5	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C[6])(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C[6])(C[6]C[6]2H){2|C<3>,5|H<1>,7|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,5|C<4>,5|H<1>}	128.6130	0.000	1	128.6130	0.000	1	128.6130	0.000	1	128.2314	0.289	5	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){1|Cl<1>,2|C<3>,5|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,2|H<1>,5|C<4>}	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	127.7990	0.000	1	127.7990	0.000	1	128.3403	0.236	3	128.2314	0.289	5	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){2|C<3>,6|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,2|H<1>,5|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	128.4830	0.000	1	128.4830	0.000	1	128.3403	0.236	3	128.2314	0.289	5	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,2|H<1>,5|C<4>}	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	128.7390	0.000	1	128.7390	0.000	1	128.3403	0.236	3	128.2314	0.289	5	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	4:3:4:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[3,5,6,6]-4:C[5]-3:C[6]-4:	C[5](C[5]C[3,5,6,6]C[6])(C[5]C[3,5,6]C[6a])(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[3x6])(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[3,5,6,6]C[6])(C[5]C[3,5,6]C[6a])(C[6]C[6]2H){2|C<3>,5|H<1>,7|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[3x6])(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,7|H<1>,8|C<4>}	123.4480	0.000	1	123.4480	0.000	1	123.4480	0.000	1	127.0758	3.197	6	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	4:3:4:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|Cl<1>,1|C<3>,6|H<1>,7|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	128.0130	0.000	1	128.0130	0.000	1	127.8014	0.048	5	127.0758	3.197	6	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	4:3:4:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|C<3>,7|C<4>,7|H<1>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	127.8130	0.000	1	127.6587	0.020	3	127.8014	0.048	5	127.0758	3.197	6	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	4:3:4:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){7|H<1>,8|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H){6|H<1>,8|C<4>}	127.5815	0.064	2	127.6587	0.020	3	127.8014	0.048	5	127.0758	3.197	6	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	4:3:4:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|C<3>,1|O<2>,6|H<1>,7|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	128.0180	0.000	1	128.0180	0.000	1	127.8014	0.048	5	127.0758	3.197	6	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:	3:4:3:1:	3:4:1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5]-3:C[6]-4:N[6]-3:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]FH)(N[6]C[6]C)(H)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H){1|C<4>,1|F<1>,4|C<3>,4|H<1>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]FH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	127.4920	0.000	1	127.4920	0.000	1	127.8915	0.319	2	127.8915	0.319	2	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:	3:4:3:1:	3:4:1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5]-3:C[6]-4:N[6]-3:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	128.2910	0.000	1	128.2910	0.000	1	127.8915	0.319	2	127.8915	0.319	2	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:	3:4:4:1:	3:2:1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6,6a]HH)(C[6]C[6]HW)(H)	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]H){1|C<4>,1|W<7>,3|C<3>,4|H<1>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6,6a]HH)(C[6]C[6]HW)(H){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a])(H){1|H<1>,2|C<3>,2|C<4>}	127.9620	0.000	1	127.9620	0.000	1	127.9620	0.000	1	127.9620	0.000	1	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:	3:4:4:1:	3:4:1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H)	C[6](C[5]C[5,6a]C[5])(C[6]C[5,6]CC)(C[6]C[6]CC)(H)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H){3|C<3>,3|H<1>,5|C<4>}	C[6](C[5]C[5,6a]C[5])(C[6]C[5,6]CC)(C[6]C[6]CC)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H){1|H<1>,2|C<3>,2|C<4>}	130.0090	0.000	1	130.0090	0.000	1	130.0090	0.000	1	130.0090	0.000	1	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:	3:4:4:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	C[5](C[5]C[5,6a]C[6]2)(C[5]C[5,6a]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6a]C[6]2)(C[5]C[5,6a]C[6])(H){2|C<3>,3|H<1>,6|C<4>}	128.8460	0.000	1	128.8460	0.000	1	128.8460	0.000	1	128.8460	0.000	1	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:	4:4:3:1:	3:3:4:	C[5]-3:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C){6|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){7|H<1>,8|C<4>}	120.6825	0.144	2	120.6825	0.021	2	120.6825	0.021	2	120.6825	0.021	2	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:	4:4:3:1:	4:3:4:	C[5]-3:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(CC3)	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C){6|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(CC3){2|H<1>,6|C<4>}	130.0210	0.011	2	130.0210	0.000	2	130.0210	0.000	2	130.0210	0.000	2	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:3:2:	3:3:4:4:	3:3:1:	C[6]-4:C[5]-3:N[5]-2:	C[5a]-3:C[5]-3:C[6]-4:C[6]-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[5a]C[6]2)(C[5]C[5]H)(N[5]C[5])	C[6](C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]HH)2	C[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](C[6]C[5a]C[6]2)(C[5]C[5]H)(N[5]C[5]){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]HH)2{1|C<4>,4|C<3>,7|H<1>}	C[5](C[5]C[6]N[5])(C[5]C[5]H)(H){2|C<3>,2|C<4>}	127.1920	0.000	1	127.1920	0.000	1	127.1920	0.000	1	127.1920	0.000	1	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:3:2:	4:3:3:2:	3:3:1:	C[6]-4:C[5]-3:N[5]-2:	C[6]-4:C[5]-3:C[6]-3:C-2:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]2C)(C[5]C[5]H)(N[5]C[5])	C[6](C[6]C[5]C[6]C)(C[5]C[5]N[5])(C[6]C[6]O)(CN)	C[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](C[6]C[6]2C)(C[5]C[5]H)(N[5]C[5]){1|C<2>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[5]C[6]C)(C[5]C[5]N[5])(C[6]C[6]O)(CN){1|Cl<1>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5](C[5]C[6]N[5])(C[5]C[5]H)(H){1|C<2>,1|C<4>,2|C<3>}	125.8615	0.262	2	125.8615	0.069	2	125.8615	0.069	2	125.8615	0.069	2	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:3:2:	4:3:4:1:	3:3:3:	C[6]-4:C[5]-3:O[5]-2:	C[6]-4:C[5]-3:C[6]-4:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[6]C[6]2H)(C[5]C[5]C)(O[5]C[5])	C[6](C[6]C[6,6a]CO)(C[5]C[5]O[5])(C[6]C[6]CH)(H)	C[5](C[5]C[6]O[5])(C[5]C[5]O)(COO)	C[5](C[6]C[6]2H)(C[5]C[5]C)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6a]CO)(C[5]C[5]O[5])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5]C[6]O[5])(C[5]C[5]O)(COO){1|C<3>,1|H<1>,3|C<4>}	130.3390	0.000	1	130.3390	0.000	1	130.3390	0.000	1	130.3390	0.000	1	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:N[6]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])(N[5]C[5]C)(O)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5]C[6])(N[5]C[5]C)(O){1|C<3>,1|N<3>,4|H<1>}	119.4200	0.000	1	119.5530	0.035	2	119.5530	0.035	2	123.9455	25.903	4	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:N[6]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])(N[5]C[5]C)(O)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5]C[6])(N[5]C[5]C)(O){1|C<3>,1|N<3>,4|H<1>}	119.6860	0.000	1	119.5530	0.035	2	119.5530	0.035	2	123.9455	25.903	4	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:N[6]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[6]N[6]2H)(N[5]C[5]Fe)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6,6a]H)(N[6]C[6]N)(H)	C[5](C[5]C[6]N[5])(N[5]C[5]H)(H)	C[5](C[6]N[6]2H)(N[5]C[5]Fe)(C[5]N[5]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6,6a]H)(N[6]C[6]N)(H){1|Fe<6>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[6]N[5])(N[5]C[5]H)(H){1|Fe<6>,2|H<1>,2|N<3>}	128.3380	0.704	2	128.3380	0.496	2	128.3380	0.496	2	123.9455	25.903	4	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:N[6]-3:C[5]-3:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])(C[5]N[5]HH)(H)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5]C[6])(C[5]N[5]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	131.9490	0.000	1	131.8435	0.022	2	131.8435	0.022	2	131.8435	0.022	2	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:N[6]-3:C[5]-3:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])(C[5]N[5]HH)(H)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5]C[6])(C[5]N[5]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	131.7380	0.000	1	131.8435	0.022	2	131.8435	0.022	2	131.8435	0.022	2	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[6]-4:C[6]-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[5]C[6]2)(N[5]C[3,5]Co)(C[5]C[5]H)	C[6](C[5]C[5]N[5])2(C[6]C[6]HH)2	C[5](C[5]C[6]N[5])(C[5]C[3,5]H)(H)	C[5](C[6]C[5]C[6]2)(N[5]C[3,5]Co)(C[5]C[5]H){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C[6](C[5]C[5]N[5])2(C[6]C[6]HH)2{1|Co<5>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5]C[6]N[5])(C[5]C[3,5]H)(H){1|Co<5>,1|C<3>,4|C<4>}	127.1805	0.687	4	127.1805	0.471	4	126.8406	0.584	8	126.8406	0.584	8	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[6]-4:C[6]-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[5]C[6]2)(N[5]C[3,5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])2(C[6]C[6]HH)2	C[5](C[5]C[6]N[5])(C[5]C[3,5]H)(H)	C[5](C[6]C[5]C[6]2)(N[5]C[3,5]Fe)(C[5]C[5]H){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C[6](C[5]C[5]N[5])2(C[6]C[6]HH)2{1|Fe<5>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5]C[6]N[5])(C[5]C[3,5]H)(H){1|Fe<5>,1|C<3>,4|C<4>}	126.5007	0.763	4	126.5007	0.583	4	126.8406	0.584	8	126.8406	0.584	8	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:N[5]-3:C[5]-3:	C[5]-3:N[6]-4:N[6]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[6]N[6]2H)(N[5]C[5]Cu)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]CuC)(N[6]C[6]H)(H)	C[5](C[5]C[6]N[5])(N[5]C[5]H)(H)	C[5](C[6]N[6]2H)(N[5]C[5]Cu)(C[5]N[5]H){2|H<1>,4|C<4>}	C[6](C[5]C[5]N[5])(N[6]C[6]CuC)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](C[5]C[6]N[5])(N[5]C[5]H)(H){1|Cu<5>,1|C<4>,1|H<1>,1|N<3>,1|N<4>}	135.0480	0.000	1	135.0480	0.000	1	135.0480	0.000	1	135.0480	0.000	1	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:3:3:	3:4:4:1:	3:3:1:	C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]2H)(C[5]C[5]H)(N[5]N[5]H)	C[6](C[5]C[5]N[5])(C[6]C[6]HH)2(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]2H)(C[5]C[5]H)(N[5]N[5]H){1|Zn<4>,2|C<4>,5|H<1>}	C[6](C[5]C[5]N[5])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Zn<4>,2|C<4>,2|H<1>}	130.6969	0.972	7	130.6969	0.944	7	130.6969	0.944	7	130.6969	0.944	7	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:3:3:	4:3:3:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6]C[5,6]C[6]H)(C[5]C[5]C)(C[5]C[5]O)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(O)	C[5](C[6]C[5,6]C[6]H)(C[5]C[5]C)(C[5]C[5]O){1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(C[5]C[5]2)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,6|C<4>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,3|H<1>}	121.8550	0.000	1	121.8550	0.000	1	121.8550	0.000	1	121.3995	0.415	2	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:3:3:	4:3:3:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[5]-3:C[6]-3:H-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6]C[6]2H)(C[5]C[5]C)(C[5]C[5]O)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]CH)(O)	C[5](C[6]C[6]2H)(C[5]C[5]C)(C[5]C[5]O){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,3|H<1>}	120.9440	0.000	1	120.9440	0.000	1	120.9440	0.000	1	121.3995	0.415	2	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:3:3:	4:3:3:1:	3:4:3:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[5]-3:C[6]-3:H-1:	C[5]-3:C[5]-4:C-3:	C[5](C[6]C[6]2H)(C[5]C[5]C)(C[5]C[5]O)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCO)	C[5](C[6]C[6]2H)(C[5]C[5]C)(C[5]C[5]O){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	131.4680	0.000	1	131.4680	0.000	1	131.4680	0.000	1	131.4680	0.000	1	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:3:3:	4:3:3:1:	3:4:4:	C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5]-3:C[5]-4:C-4:	C[5](C[6]C[5,6]C[6]H)(C[5]C[5]C)(C[5]C[5]O)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH)	C[5](C[6]C[5,6]C[6]H)(C[5]C[5]C)(C[5]C[5]O){1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(C[5]C[5]2)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,6|C<4>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	127.8780	0.000	1	127.8780	0.000	1	127.8780	0.000	1	127.8780	0.000	1	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:3:3:	6:4:4:3:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[5x3,5x5,20x6]-6:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[5x3,5x5,20x6]C[6]2)(C[5]C[5]H)2	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6]C[6]HH)2(C[5]C[5]2)	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H)	C[5](C[6]C[5x3,5x5,20x6]C[6]2)(C[5]C[5]H)2{2|C<4>,5|B<6>,7|H<1>}	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6]C[6]HH)2(C[5]C[5]2){11|H<1>,1|C<3>,1|C<6>,2|C<4>,4|B<6>}	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H){1|C<6>,2|C<4>,3|H<1>}	125.7130	0.222	2	125.7130	0.049	2	125.7130	0.049	2	125.7130	0.049	2	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:3:3:	6:4:4:3:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:	C[5x3,5x5,20x6]-6:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[6]C[5x3,5x5,20x6]C[6]2)(C[5]C[5]H)2	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6]C[6]HH)2(C[5]C[5]2)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[6]C[5x3,5x5,20x6]C[6]2)(C[5]C[5]H)2{2|C<4>,5|B<6>,7|H<1>}	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6]C[6]HH)2(C[5]C[5]2){11|H<1>,1|C<3>,1|C<6>,2|C<4>,4|B<6>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H){1|C<6>,2|C<4>,2|H<1>}	125.6830	0.387	2	125.6830	0.150	2	125.6830	0.150	2	125.6830	0.150	2	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:3:4:	3:4:4:1:	3:3:4:	C[3,5,6,6]-4:C[5]-3:C[6]-4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[3x6])(C[5]C[5]C[6])(C[6]C[6]2H)	C[6](C[5]C[3,5,6,6]C[5])(C[6]C[6,6]HH)2(H)	C[5](C[5]C[3,5,6,6]C[6])(C[5]C[3,5,6]C[6a])(C[6]C[6]2H)	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[3x6])(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,7|H<1>,8|C<4>}	C[6](C[5]C[3,5,6,6]C[5])(C[6]C[6,6]HH)2(H){1|C<3>,2|H<1>,7|C<4>}	C[5](C[5]C[3,5,6,6]C[6])(C[5]C[3,5,6]C[6a])(C[6]C[6]2H){2|C<3>,5|H<1>,7|C<4>}	125.2700	0.000	1	125.2700	0.000	1	125.2700	0.000	1	125.2700	0.000	1	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:3:4:	4:4:3:1:	3:3:4:	C[5]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|Cl<1>,2|C<3>,2|H<1>,5|C<4>}	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|Cl<1>,1|C<3>,6|H<1>,7|C<4>}	127.1270	0.000	1	127.1270	0.000	1	127.4002	0.495	5	127.4002	0.495	5	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:3:4:	4:4:3:1:	3:3:4:	C[5]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,3|H<1>,5|C<4>}	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|C<3>,7|C<4>,7|H<1>}	127.6850	0.000	1	127.8593	0.026	3	127.4002	0.495	5	127.4002	0.495	5	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:3:4:	4:4:3:1:	3:3:4:	C[5]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H){6|H<1>,8|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,3|H<1>,5|C<4>}	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){7|H<1>,8|C<4>}	127.9465	0.081	2	127.8593	0.026	3	127.4002	0.495	5	127.4002	0.495	5	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:3:4:	4:4:3:1:	3:3:4:	C[5]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|C<3>,1|O<2>,6|H<1>,7|C<4>}	126.2960	0.000	1	126.2960	0.000	1	127.4002	0.495	5	127.4002	0.495	5	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:	3:3:3:3:	3:4:3:	C[6]-4:C[5]-4:C[5]-3:	B[6]-3:C[6a]-3:B[6]-3:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6]C[6a]B[6]2)(C[5]C[5]HH)(C[5]C[5]C)	C[6](B[6]C[5,6]Cl)(C[6a]C[6a]2)(B[6]C[6]Cl)(C[5]C[5]2)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]C)	C[5](C[6]C[6a]B[6]2)(C[5]C[5]HH)(C[5]C[5]C){2|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	C[6](B[6]C[5,6]Cl)(C[6a]C[6a]2)(B[6]C[6]Cl)(C[5]C[5]2){3|C<4>,4|H<1>,6|C<3>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]C){1|C<3>,2|B<3>,4|H<1>}	123.3760	0.000	1	123.3760	0.000	1	123.3760	0.000	1	123.3760	0.000	1	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:	3:4:4:2:	3:4:1:	C[5,5]-4:C[6]-4:C[5]-3:	C[5]-3:C[6]-4:C[6]-4:O-2:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]C)(C[6]C[6]2O)(C[5]C[5]H)	C[6](C[5]C[5,5]C[5])(C[6]C[6]CH)2(OH)	C[5](C[5]C[5,5]C[6])(C[5]C[5,5]CH)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[6]C[6]2O)(C[5]C[5]H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5]C[5,5]C[5])(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[5,5]C[6])(C[5]C[5,5]CH)(H){1|H<1>,3|C<4>,3|O<2>}	125.6430	0.000	1	125.6430	0.000	1	125.6430	0.000	1	125.6430	0.000	1	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:	4:2:3:1:	3:4:1:	C[6]-4:C[5]-4:C[5]-3:	C[6]-4:S[6]-2:C[5]-3:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[6]C[6]S[6]H)(C[5]N[5]CC)(C[5]C[5]H)	C[6](C[6]S[6]HH)(S[6]C[5,6])(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])(C[5]N[5]CC)(H)	C[5](C[6]C[6]S[6]H)(C[5]N[5]CC)(C[5]C[5]H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(S[6]C[5,6])(C[5]C[5]2)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	C[5](C[5]C[5]C[6])(C[5]N[5]CC)(H){1|H<1>,1|O<1>,1|S<2>,3|C<4>}	127.4650	0.000	1	127.4650	0.000	1	127.4650	0.000	1	127.4650	0.000	1	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:	4:3:3:1:	3:4:1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[5]-3:C[6]-3:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5]N[5]HH)(C[6]C[6]2H)(C[5]C[5]H)	C[6](C[6]O[6]HH)(C[5]C[5]2)(C[6]C[6]C)(H)	C[5](C[5]C[5]C[6])(C[5]N[5]HH)(H)	C[5](C[5]N[5]HH)(C[6]C[6]2H)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,4|H<1>}	C[6](C[6]O[6]HH)(C[5]C[5]2)(C[6]C[6]C)(H){1|N<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[5]C[5]C[6])(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	126.8960	0.000	1	126.8960	0.000	1	126.8960	0.000	1	126.8960	0.000	1	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[6]C[6]2H)(C[5]C[5]H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]HH)(C[6]C[6]2H)(C[5]C[5]H){1|B<4>,2|C<4>,5|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(C[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5]C[6])(C[5]N[5]H)(H){3|C<4>,3|H<1>}	128.8910	0.000	1	128.8910	0.000	1	129.5975	0.998	2	129.5975	0.998	2	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CO)(C[6]C[6]2H)(C[5]C[5]H)	C[6](C[6]C[6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])(C[5]O[5]O)(H)	C[5](C[5]O[5]CO)(C[6]C[6]2H)(C[5]C[5]H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[5]C[5]2)(H){1|Br<1>,1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5]C[6])(C[5]O[5]O)(H){1|H<1>,1|O<2>,3|C<4>}	130.3040	0.000	1	130.3040	0.000	1	129.5975	0.998	2	129.5975	0.998	2	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:	4:4:3:2:	3:4:1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:C[5]-3:O-2:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(C[5]C[5]2)(OSi)	C[5](C[5]C[5]C[6])(C[5]C[5]CO)(H)	C[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(C[5]C[5]2)(OSi){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]CO)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	127.0280	0.000	1	127.0280	0.000	1	127.0280	0.000	1	127.0280	0.000	1	126.8274	12.284	86	128.6743	14.312	497
818	466	818	0:SP2_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:	4:4:3:4:	4:3:4:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HO)(C[6]C[6]2C)(C[5]C[5]C)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]CH)(C[5]C[5]2)(CH3)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C[6])(CH3)	C[5](C[5]C[5]HO)(C[6]C[6]2C)(C[5]C[5]C){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]CH)(C[5]C[5]2)(CH3){2|H<1>,2|O<2>,6|C<4>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C[6])(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	130.9420	0.666	2	130.9420	0.444	2	130.9420	0.444	2	130.9420	0.444	2	126.8274	12.284	86	128.6743	14.312	497
818	466	818	6:SP2_SP2_SP3	C[5,3x6]	C[3x6]	C[5,3x6]	4:3:4:	3:4:4:1:	4:3:4:	C[5,5,6]-4:C[5,3x6]-3:C[3x6]-4:	C[5,3x6]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,3x6]-3:C[3x6]-4:	C[5,3x6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,3x6]C[5,5,6]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[5,3x6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,3x6]C[5,5,6]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)	C[5,3x6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,3x6]C[5,5,6]C[3x6])(C[3x6]C[5,6,6]C[6,6]H){2|C<3>,3|C<4>,6|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,3x6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,3x6]C[5,5,6]C[3x6])(C[3x6]C[5,6,6]C[6,6]H){2|C<3>,3|C<4>,6|H<1>}	115.4645	0.644	2	115.4645	0.415	2	115.4645	0.415	2	115.4645	0.415	2	115.4645	0.415	2	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	3:3:4:	3:4:4:1:	3:3:4:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[5]-3:C[3x6]-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H){2|C<3>,4|C<4>,5|H<1>}	114.0890	0.033	2	113.8057	0.241	3	113.8057	0.241	3	113.3927	0.388	6	114.4510	1.612	31	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	3:3:4:	3:4:4:1:	3:3:4:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[5]-3:C[3x6]-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,7|H<1>}	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H){2|C<3>,4|C<4>,6|H<1>}	113.2390	0.000	1	113.8057	0.241	3	113.8057	0.241	3	113.3927	0.388	6	114.4510	1.612	31	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	3:3:4:	3:4:4:1:	3:3:4:	C[5,6,6]-3:C[5]-3:C[3x6]-4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H){2|C<3>,4|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,6|H<1>}	113.2435	0.127	2	112.9797	0.217	3	112.9797	0.217	3	113.3927	0.388	6	114.4510	1.612	31	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	3:3:4:	3:4:4:1:	3:3:4:	C[5,6,6]-3:C[5]-3:C[3x6]-4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H){2|C<3>,4|C<4>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,7|H<1>}	112.4520	0.000	1	112.9797	0.217	3	112.9797	0.217	3	113.3927	0.388	6	114.4510	1.612	31	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	3:3:4:	3:4:4:1:	3:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[3x6]C[6,6]2H)(C[5]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){6|C<4>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[3x6]C[6,6]2H)(C[5]C[5,6,6]C){4|C<4>,5|H<1>}	114.6280	0.498	2	114.6280	0.248	2	114.6280	0.248	2	114.6280	0.248	2	114.4510	1.612	31	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	3:3:4:	3:4:4:4:	3:3:4:	C[5,6a]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:C-4:	C[5,6a]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6,6]C[5,6a]C[3x6])(C[3x6]C[5,6,6]2C)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5]H)2(CH3)	C[5,6,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6,6]C[5,6a]C[3x6])(C[3x6]C[5,6,6]2C)	C[5,6,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6,6]C[5,6a]C[3x6])(C[3x6]C[5,6,6]2C){2|H<1>,4|C<4>,5|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5]H)2(CH3){1|C<4>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,6,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6,6]C[5,6a]C[3x6])(C[3x6]C[5,6,6]2C){2|H<1>,4|C<4>,5|C<3>}	115.3825	0.568	2	115.3825	0.322	2	115.3825	0.322	2	115.3825	0.322	2	114.4510	1.612	31	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	3:4:2:	3:4:4:1:	3:4:3:	C[5,6,6]-3:C[3x6]-4:S[5]-2:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(S[5]S[5])	C[3x6](C[5,6,6]C[5,6,6]S[5])(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[3x6]S[5])(C[3x6]C[6,6]2H)(C[5]C[6]S[5])	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(S[5]S[5]){3|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]S[5])(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]S[5])(C[3x6]C[6,6]2H)(C[5]C[6]S[5]){4|C<4>,6|H<1>}	115.8070	0.000	1	115.8070	0.000	1	115.8070	0.000	1	115.8070	0.000	1	114.4510	1.612	31	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	3:4:3:	3:4:2:1:	4:3:4:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[5,6,6]-3:C[5]-4:	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]O[5]O)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(O[6,6]O[6,6])(H)	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH)	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(O[6,6]O[6,6])(H){1|O<1>,1|O<2>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	115.2120	0.000	1	115.2120	0.000	1	115.2120	0.000	1	115.2120	0.000	1	114.4510	1.612	31	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	3:4:3:	3:4:3:1:	3:4:3:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C)	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C){1|C<4>,2|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C){1|C<4>,2|C<3>,4|H<1>}	114.3093	1.023	8	114.3093	1.047	8	114.3093	1.047	8	114.3093	1.047	8	114.4510	1.612	31	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	3:4:3:	3:4:3:1:	4:3:4:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[5,3x6]-4:C[5,6,6]-3:C[5]-4:	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]H)(C[5]O[5]O)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(N[6,6]O[6,6]C)(H)	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH)	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]H)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(N[6,6]O[6,6]C)(H){1|O<1>,1|O<2>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH){1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	115.5350	0.139	2	115.5350	0.019	2	115.5350	0.019	2	115.5350	0.019	2	114.4510	1.612	31	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	3:4:3:	3:4:4:1:	3:3:4:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[3x6]C[6,6]2H)(C[5]C[5,6,6]C)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[3x6]C[6,6]2H)(C[5]C[5,6,6]C){4|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){6|C<4>,6|H<1>}	112.1830	0.417	2	112.1830	0.174	2	112.1830	0.174	2	112.1830	0.174	2	114.4510	1.612	31	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	3:4:3:	3:4:4:1:	3:4:2:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[3x6]-4:S[5]-2:	C[5,6,6](C[5,6,6]C[3x6]S[5])(C[3x6]C[6,6]2H)(C[5]C[6]S[5])	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(S[5]S[5])	C[5,6,6](C[5,6,6]C[3x6]S[5])(C[3x6]C[6,6]2H)(C[5]C[6]S[5]){4|C<4>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H){2|C<4>,2|S<2>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(S[5]S[5]){3|C<4>,5|H<1>}	112.7420	0.000	1	112.7420	0.000	1	112.7420	0.000	1	112.7420	0.000	1	114.4510	1.612	31	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	3:4:4:	3:3:3:1:	3:4:4:	C[5,6,6]-3:C[3x6]-4:C[5]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:H-1:	C[5,6,6]-3:C[3x6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[5]C[6a]2O[5])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5])(H)	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[5]C[6a]2O[5])	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[5]C[6a]2O[5]){10|C<3>,1|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5])(H){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[5]C[6a]2O[5]){10|C<3>,1|H<1>}	114.8630	0.634	2	114.8630	0.401	2	114.8630	0.401	2	114.8630	0.401	2	114.4510	1.612	31	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:3:4:	3:3:4:4:	4:3:4:	C[3x6]-4:C[5,6,6]-3:C[5]-4:	N[5a,6,6]-3:C[5,6,6]-3:C[6,6]-4:C-4:	C[3x6]-4:C[5,6,6]-3:C[5]-4:	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]N[5]HH)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3)	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]N[5]HH)	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]N[5]HH){1|N<3>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3){1|C<3>,1|O<1>,2|C<4>,2|N<3>,4|H<1>}	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]N[5]HH){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	116.2920	0.000	1	116.2920	0.000	1	115.8195	0.447	2	115.8195	0.447	2	114.4510	1.612	31	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:3:4:	3:3:4:4:	4:3:4:	C[3x6]-4:C[5,6,6]-3:C[5]-4:	N[5a,6,6]-3:C[5,6,6]-3:C[6,6]-4:C-4:	C[3x6]-4:C[5,6,6]-3:C[5]-4:	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]N[5]HH)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3)	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]N[5]HH)	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]N[5]HH){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3){1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]N[5]HH){1|N<3>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	115.3470	0.000	1	115.3470	0.000	1	115.8195	0.447	2	115.8195	0.447	2	114.4510	1.612	31	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:3:4:	4:3:4:4:	4:3:4:	C[3x6]-4:C[5,6,6]-3:C[5]-4:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C-4:	C[3x6]-4:C[5,6,6]-3:C[5]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH){1|C<3>,3|H<1>,7|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH){1|C<3>,5|C<4>,5|H<1>}	116.2690	0.000	1	116.2690	0.000	1	116.2845	0.000	2	116.2845	0.000	2	114.4510	1.612	31	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:3:4:	4:3:4:4:	4:3:4:	C[3x6]-4:C[5,6,6]-3:C[5]-4:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C-4:	C[3x6]-4:C[5,6,6]-3:C[5]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH){1|C<3>,5|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH){1|C<3>,3|H<1>,7|C<4>}	116.3000	0.000	1	116.3000	0.000	1	116.2845	0.000	2	116.2845	0.000	2	114.4510	1.612	31	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	3:4:4:	3:4:4:1:	3:4:4:	C[5,6,6]-3:C[5,6]-4:C[6,6]-4:	C[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-3:C[5,6]-4:C[6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H){2|C<3>,4|C<4>,6|H<1>}	124.6145	0.725	2	124.6145	0.525	2	124.6145	0.525	2	124.6145	0.525	2	124.6145	0.525	2	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:4:4:	3:4:4:1:	3:4:4:	C[5,6]-3:C[5,6]-4:C[6,6]-4:	C[5,6,6]-3:C[6]-4:C[6]-4:H-1:	C[5,6,6]-3:C[5,6]-4:C[5]-4:	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[6]S[5]H)(C[6,6]C[6]2H)	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[5]S[5]HH)	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[6]S[5]H)(C[6,6]C[6]2H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[5]S[5]HH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	124.3020	0.000	1	124.3020	0.000	1	124.3020	0.000	1	124.3020	0.000	1	124.9304	2.249	11	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:3:4:	3:4:4:4:	3:4:2:	C[5,5,6]-4:C[5,6]-3:C[6,6]-4:	C[5,6,6]-3:C[6]-4:C[6]-4:C-4:	C[5,6,6]-3:C[6]-4:O[5]-2:	C[5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[6]O[5])(C[6,6]C[6]2C)	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(CH3)	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[6]C[6]CC)(O[5]C[5])	C[5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[6]O[5])(C[6,6]C[6]2C){1|C<3>,2|O<1>,4|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(CH3){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	123.8810	0.000	1	123.8810	0.000	1	123.8810	0.000	1	123.8810	0.000	1	124.9304	2.249	11	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:	3:3:4:4:	3:3:2:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[6,6a]-3:C[5,6,6]-3:C[6]-4:C-4:	C[5,6,6]-3:C[6]-3:O[5]-2:	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6,6a]O)(O[5]C[5])	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6,6a]O)(O[5]C[5]){1|O<1>,2|C<3>,4|C<4>}	124.5990	0.000	1	124.5990	0.000	1	124.5990	0.000	1	124.5990	0.000	1	124.9304	2.249	11	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:	4:3:4:1:	3:4:3:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[5,6,6]-3:C[6]-4:C[5]-3:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(C[5]C[5]O)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]){1|O<1>,3|C<4>,9|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(C[5]C[5]O){1|C<3>,3|C<4>,5|H<1>}	126.1360	0.010	2	126.1360	0.000	2	126.3727	0.168	3	126.3727	0.168	3	124.9304	2.249	11	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:	4:3:4:1:	3:4:3:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[5,6,6]-3:C[6]-4:C[5]-3:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])	C[6,6](C[5,6]C[5]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O){3|C<4>,4|H<1>}	126.8460	0.000	1	126.8460	0.000	1	126.3727	0.168	3	126.3727	0.168	3	124.9304	2.249	11	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:	4:3:4:1:	3:4:4:	C[5,6]-4:C[6,6]-4:C[5,6]-3:	C[6,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[5,6,6]-3:C[3,5]-4:C[6]-4:	C[5,6,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[3,5]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH)	C[5,6,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[3,5]C[6]){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(H){1|C<2>,1|O<1>,3|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH){5|C<4>,5|H<1>}	125.0650	0.000	1	125.0650	0.000	1	125.0650	0.000	1	123.1485	7.346	2	124.9304	2.249	11	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:	4:3:4:1:	3:4:4:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[5,6,6]-3:C[6]-4:C[5]-4:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]S[5]H)(C[5,6]C[5]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]C[6a]H)(C[5]S[5]HH)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]S[5]H)(C[5,6]C[5]C[6]){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]C[6a]H)(C[5]S[5]HH){3|C<3>,3|C<4>,3|H<1>}	121.2320	0.000	1	121.2320	0.000	1	121.2320	0.000	1	123.1485	7.346	2	124.9304	2.249	11	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:	4:3:4:4:	3:3:2:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[6,6]-4:C[5,6,6]-3:C[6]-4:C-4:	C[5,6,6]-3:C[6]-3:O[5]-2:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(O[5]C[5])	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(O[5]C[5]){1|C<3>,2|H<1>,5|C<4>}	125.2340	0.000	1	125.2240	0.000	2	125.2240	0.000	2	125.2240	0.000	2	124.9304	2.249	11	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:	4:3:4:4:	3:3:2:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[6,6]-4:C[5,6,6]-3:C[6]-4:C-4:	C[5,6,6]-3:C[6]-3:O[5]-2:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(O[5]C[5])	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<3>,1|O<1>,2|C<4>,3|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	125.2140	0.000	1	125.2240	0.000	2	125.2240	0.000	2	125.2240	0.000	2	124.9304	2.249	11	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:	4:3:4:4:	3:4:2:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[6]-4:C-4:	C[5,6,6]-3:C[6]-4:O[5]-2:	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[6,6](C[5,6,6]C[5,6]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(O[5]C[5])	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3){1|O<2>,7|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(O[5]C[5]){3|H<1>,6|C<4>}	125.5890	0.000	1	125.5890	0.000	1	125.5890	0.000	1	125.5890	0.000	1	124.9304	2.249	11	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:	3:3:1:1:	4:3:4:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:	C[5,6,6]-3:C[6,6a]-3:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6,6a]HH)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6,6a]HH)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6,6a]HH){3|H<1>,4|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6,6a]HH){3|H<1>,4|C<3>}	125.6525	0.540	2	125.6525	0.291	2	125.6525	0.291	2	125.6525	0.291	2	125.6724	0.132	5	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:	3:3:3:2:	4:3:4:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:	C[5,6,6]-3:C[6a]-3:C[6]-3:O-2:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6a]C[6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H)(OC)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6a]C[6]O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6a]C[6]O){1|O<2>,5|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H)(OC){3|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6a]C[6]O){1|O<2>,5|C<3>,5|H<1>}	125.4885	0.062	2	125.4885	0.004	2	125.4885	0.004	2	125.4885	0.004	2	125.6724	0.132	5	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:	3:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:	C[5,6,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-3:N[6]-3:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]N[6])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]C[6])(N[6]C[6]S)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]N[6])(C[6]C[6]HH){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]C[6])(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	126.0800	0.000	1	126.0800	0.000	1	126.0800	0.000	1	126.0800	0.000	1	125.6724	0.132	5	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:2:	3:3:4:1:	3:3:4:	C[6,6]-4:C[5,6]-3:N[5]-2:	C[5,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a])	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	127.0170	0.000	1	127.0170	0.000	1	127.0170	0.000	1	127.0170	0.000	1	125.1492	4.040	26	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:2:	3:3:4:3:	3:3:4:	C[6,6]-4:C[5,6]-3:O[5]-2:	C[5,6]-3:C[6,6]-3:C[6]-4:C-3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(O[5]C[5])	C[6,6](C[5,6]C[5,6]O[5])(C[6,6]C[6,6]O)(C[6]C[6]CC)(CCO)	C[5,6](C[5,6]C[6,6]O[5])(C[6]C[6,6]O)(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(O[5]C[5]){2|O<1>,3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5])(C[6,6]C[6,6]O)(C[6]C[6]CC)(CCO){1|C<3>,1|H<1>,5|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>}	126.5897	0.531	3	126.5897	0.282	3	126.5897	0.282	3	126.5897	0.282	3	125.1492	4.040	26	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:2:	3:3:4:4:	3:3:4:	C[6,6]-4:C[5,6]-3:N[5]-2:	C[5,6]-3:N[6,6]-3:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[6,6]N[6,6]C[6]C)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a])	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	C[5,6](C[6,6]N[6,6]C[6]C)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	125.2410	0.000	1	125.2410	0.000	1	125.2410	0.000	1	125.2410	0.000	1	125.1492	4.040	26	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:3:	3:4:4:4:	3:4:3:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,5]C[6])(C[5]O[5]O)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,5]C[6])(C[5]O[5]O){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	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>}	125.8720	0.000	1	125.8720	0.000	1	125.8720	0.000	1	126.2082	0.126	5	125.1492	4.040	26	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:3:	3:4:4:4:	3:4:3:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[3]O[5]H)(C[6]C[6]O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	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>}	126.2922	0.348	4	126.2922	0.121	4	126.2922	0.121	4	126.2082	0.126	5	125.1492	4.040	26	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	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[5]-3:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H){1|O<1>,3|H<1>,3|O<2>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>}	125.0210	0.000	1	125.0210	0.000	1	124.6400	0.290	2	124.6400	0.290	2	125.1492	4.040	26	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	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[5]-3:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>}	124.2590	0.000	1	124.2590	0.000	1	124.6400	0.290	2	124.6400	0.290	2	125.1492	4.040	26	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:3:	4:3:4:4:	3:3:2:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[6,6]-4:C[5,6]-3:C[6,6]-4:C-4:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[6,6]C[6,6]2C)(C[5,6]C[6]O[5])(C[5]C[5]H)	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(CH3)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]H)(O[5]C[5])	C[5,6](C[6,6]C[6,6]2C)(C[5,6]C[6]O[5])(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(CH3){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]H)(O[5]C[5]){1|H<1>,1|O<1>,4|C<4>}	116.4100	0.000	1	116.4100	0.000	1	116.4100	0.000	1	116.4100	0.000	1	125.1492	4.040	26	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:3:	4:3:4:4:	3:4:4:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(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]HO)(CH3)	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<4>}	125.1020	0.000	1	125.1020	0.000	1	125.1020	0.000	1	125.1020	0.000	1	125.1492	4.040	26	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:	3:3:4:1:	3:4:4:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6a]-3:C[5,6]-3:C[6,6]-4:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(C[5]O[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]2H)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH)	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH){1|C<4>,4|C<3>,4|H<1>}	125.4900	0.000	1	125.4900	0.000	1	125.4900	0.000	1	125.4900	0.000	1	125.1492	4.040	26	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:	3:4:4:4:	3:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	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>}	124.8070	0.000	1	124.8070	0.000	1	124.8070	0.000	1	124.9169	0.864	7	125.1492	4.040	26	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:	3:4:4:4:	3:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){3|C<4>,4|H<1>}	125.3150	0.000	1	125.2620	0.006	2	124.9352	1.034	6	124.9169	0.864	7	125.1492	4.040	26	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:	3:4:4:4:	3:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){3|C<4>,4|H<1>}	125.2090	0.000	1	125.2620	0.006	2	124.9352	1.034	6	124.9169	0.864	7	125.1492	4.040	26	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:	3:4:4:4:	3:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){3|C<4>,4|H<1>}	126.5170	0.000	1	126.5170	0.000	1	124.9352	1.034	6	124.9169	0.864	7	125.1492	4.040	26	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:	3:4:4:4:	3:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	123.9160	0.576	2	123.9160	0.331	2	124.9352	1.034	6	124.9169	0.864	7	125.1492	4.040	26	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:	3:4:4:4:	3:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HO)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	124.7380	0.000	1	124.7380	0.000	1	124.9352	1.034	6	124.9169	0.864	7	125.1492	4.040	26	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:	4:3:4:1:	3:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){2|C<4>,5|H<1>}	124.4415	0.343	2	124.4415	0.118	2	124.4415	0.118	2	124.4415	0.118	2	125.1492	4.040	26	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	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[5]-4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(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)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CC)(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<3>,4|C<4>,7|H<1>}	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)(H){1|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CC)(C[6]C[6]HH){2|C<4>,7|H<1>}	125.6140	0.426	2	125.6140	0.181	2	125.6140	0.181	2	125.6140	0.181	2	125.1492	4.040	26	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,5,6]	3:4:3:	3:4:1:1:	4:3:4:	C[5,5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C[5,5]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5])(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6])(C[5,5]C[5]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5])(C[6]C[6]HH)(C[5]C[5]O){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6])(C[5,5]C[5]2H){1|O<1>,2|O<2>,3|C<4>,9|H<1>}	122.8120	0.000	1	122.8120	0.000	1	122.8120	0.000	1	122.8120	0.000	1	122.8120	0.000	1	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:2:	3:4:4:3:	4:3:4:	C[5,6,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:C-4:C-3:	C[5,5,6]-4:C[5,6]-3:C[6,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[6]C[6]CC)(O[5]C[5])	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CH3)(COO)	C[5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[6]O[5])(C[6,6]C[6]2C)	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CH3)(COO){1|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[6]O[5])(C[6,6]C[6]2C){1|C<3>,2|O<1>,4|H<1>,6|C<4>}	128.9690	0.000	1	128.9690	0.000	1	128.9690	0.000	1	128.9690	0.000	1	124.4132	12.083	9	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:2:	4:3:1:1:	4:4:3:	C[5,6,6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]O[5])(H)2	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(O[5]C[5]){3|H<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]O[5])(H)2{2|H<1>,6|C<4>}	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|O<2>,4|C<4>,7|H<1>}	127.2350	0.000	1	127.2350	0.000	1	127.2350	0.000	1	127.2350	0.000	1	124.4132	12.083	9	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:3:	3:4:1:1:	4:4:3:	C[5,6,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(C[5]C[5]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|O<1>,5|C<4>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]){1|O<1>,3|C<4>,9|H<1>}	125.1440	0.146	2	125.1440	0.021	2	125.1440	0.021	2	124.8468	0.302	4	124.4132	12.083	9	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:3:	3:4:1:1:	4:4:3:	C[5,6,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]O){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]){1|O<1>,2|O<2>,4|C<4>,9|H<1>}	125.0650	0.000	1	125.0650	0.000	1	125.0650	0.000	1	124.8468	0.302	4	124.4132	12.083	9	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:3:	3:4:1:1:	4:4:3:	C[5,6,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	124.0340	0.000	1	124.0340	0.000	1	124.0340	0.000	1	124.8468	0.302	4	124.4132	12.083	9	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:4:	3:4:1:1:	4:3:3:	C[5,6,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:N[6,6]-3:	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6]C[5])(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])(N[6,6]C[6]2)	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<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])(N[6,6]C[6]2){10|H<1>,1|O<1>,2|C<4>}	123.3910	0.000	1	123.3910	0.000	1	123.3910	0.000	1	123.3910	0.000	1	124.4132	12.083	9	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:4:	3:4:1:1:	4:4:3:	C[5,6,6]-3:C[3,5]-4:C[6]-4:	C[5,6]-3:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH)	C[6](C[5,6]C[5,6,6]C[3,5])(C[6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[3,5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH){5|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[3,5])(C[6,6]C[5,6]C[6,6]H)(H)2{2|C<3>,2|H<1>,6|C<4>}	C[5,6,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[3,5]C[6]){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	124.4010	0.000	1	124.4010	0.000	1	124.4010	0.000	1	124.4010	0.000	1	124.4132	12.083	9	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:4:	3:4:3:1:	4:4:3:	C[5,6,6]-3:C[6]-4:C[5]-4:	C[5,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]C[6a]H)(C[5]S[5]HH)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]S[5]H)(C[5,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]C[6a]H)(C[5]S[5]HH){3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,1|S<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]S[5]H)(C[5,6]C[5]C[6]){2|C<3>,2|C<4>,8|H<1>}	116.3360	0.000	1	116.3360	0.000	1	116.3360	0.000	1	116.3360	0.000	1	124.4132	12.083	9	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:2:4:	3:4:1:1:	3:3:4:	C[5,6]-3:N[5]-2:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	126.2080	0.000	1	126.2080	0.000	1	125.7840	0.360	2	125.7840	0.360	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:2:4:	3:4:1:1:	3:3:4:	C[5,6]-3:N[5]-2:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<4>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	125.3600	0.000	1	125.3600	0.000	1	125.7840	0.360	2	125.7840	0.360	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:2:1:1:	4:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:S[6]-2:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5]N[6])(C[6]S[6]HH)	C[6](C[5,6]C[5,6]C[5])(S[6]C[6,6a])(H)2	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5]N[6])(C[6]S[6]HH){1|C<2>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(S[6]C[6,6a])(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|C<2>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	123.2420	0.000	1	123.2420	0.000	1	123.2420	0.000	1	123.2420	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:3:3:	3:4:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:C-3:C-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6,6a]CC)	C[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(COO)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HP)(C[6]C[6,6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6,6a]CC){1|P<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(COO)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HP)(C[6]C[6,6a]HH){6|C<3>}	122.9510	0.000	1	122.9510	0.000	1	122.9510	0.000	1	122.9510	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:2:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-2:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	122.6440	0.000	1	122.6440	0.000	1	123.1095	0.433	2	123.1095	0.433	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:2:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-2:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HN)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	123.5750	0.000	1	123.5750	0.000	1	123.1095	0.433	2	123.1095	0.433	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[6a]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(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[5,6](C[5,6]C[6]O[5])(C[5]C[6a]C[5])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|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|C<4>,1|O<1>,4|H<1>}	118.0100	0.000	1	118.0100	0.000	1	118.0100	0.000	1	118.6725	0.878	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[6,6]N[6,6]N[6])(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH){2|C<3>,2|N<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2{1|N<2>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[6,6]N[6,6]N[6])(N[5]C[5,6a]){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	119.3350	0.000	1	119.3350	0.000	1	119.3350	0.000	1	118.6725	0.878	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(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[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	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>}	119.6410	0.000	1	119.6410	0.000	1	119.6410	0.000	1	121.2680	5.294	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	122.8950	0.000	1	122.8950	0.000	1	122.8950	0.000	1	121.2680	5.294	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|C<4>,1|P<3>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|C<4>,1|P<3>,1|S<2>,2|C<3>,4|H<1>}	120.5782	0.356	8	120.5246	0.440	14	120.2067	1.086	48	121.4872	5.978	65	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	120.7260	0.024	2	120.5246	0.440	14	120.2067	1.086	48	121.4872	5.978	65	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|Os<4>,1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|Os<4>,1|C<4>,1|S<2>,3|C<3>,4|H<1>}	120.3167	1.231	4	120.5246	0.440	14	120.2067	1.086	48	121.4872	5.978	65	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|Pd<4>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){1|Pd<4>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	119.4060	0.000	1	119.4060	0.000	1	120.2067	1.086	48	121.4872	5.978	65	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){1|Pd<4>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|Pd<4>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	121.8830	0.000	1	121.8830	0.000	1	120.2067	1.086	48	121.4872	5.978	65	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){1|C<4>,1|N<3>,1|S<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){1|C<4>,1|N<3>,1|S<3>,3|C<3>,4|H<1>}	119.6143	1.335	12	119.7739	1.447	16	120.2067	1.086	48	121.4872	5.978	65	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){2|Cu<4>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<5>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){2|Cu<4>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	120.2527	0.538	4	119.7739	1.447	16	120.2067	1.086	48	121.4872	5.978	65	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){1|Cu<4>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Cu<4>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	120.4320	0.000	1	120.6690	1.855	3	120.2067	1.086	48	121.4872	5.978	65	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){1|Re<6>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Re<6>,1|C<4>,4|C<3>,4|H<1>}	120.7875	1.904	2	120.6690	1.855	3	120.2067	1.086	48	121.4872	5.978	65	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Cu<4>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){1|Cu<4>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	119.8660	0.000	1	119.4757	0.625	3	120.2067	1.086	48	121.4872	5.978	65	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Re<6>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){1|Re<6>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	119.2805	1.010	2	119.4757	0.625	3	120.2067	1.086	48	121.4872	5.978	65	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Au<2>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Au<2>,1|C<4>,4|C<3>,4|H<1>}	120.5930	1.112	2	120.2084	0.798	8	120.2067	1.086	48	121.4872	5.978	65	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	120.1723	0.785	4	120.2084	0.798	8	120.2067	1.086	48	121.4872	5.978	65	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	119.8960	1.417	2	120.2084	0.798	8	120.2067	1.086	48	121.4872	5.978	65	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]Se[5]B[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]Se[5]B[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]Se[5]B[5])(C[6]C[6]HH){1|B<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]Se[5]B[5])(C[6]C[6]HH){1|B<3>,1|C<4>,2|O<2>,4|H<1>}	121.4025	0.361	2	121.4025	0.131	2	120.2067	1.086	48	121.4872	5.978	65	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(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])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,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]HH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	124.9093	0.296	3	124.9093	0.088	3	124.9093	0.088	3	121.4872	5.978	65	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH){1|Co<5>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH){1|Co<5>,1|C<4>,3|C<3>,4|H<1>}	125.3170	1.226	2	125.7200	0.423	9	125.7200	0.423	9	121.4872	5.978	65	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH){1|Fe<3>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH){1|Fe<3>,1|C<4>,3|C<3>,4|H<1>}	125.8351	0.493	7	125.7200	0.423	9	125.7200	0.423	9	121.4872	5.978	65	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:P[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]N[5,5]C[6])(P[5]N[5,5]Sn)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]N[5,5]C[6])(P[5]N[5,5]Sn)(C[6]C[6]HH){1|C<3>,1|C<4>,1|P<2>,4|H<1>}	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|Sn<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH){1|Sn<3>,1|C<4>,2|C<3>,4|H<1>}	121.0780	0.000	1	121.0780	0.000	1	121.0780	0.000	1	121.4872	5.978	65	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	124.1067	0.270	3	124.1067	0.073	3	124.1067	0.073	3	121.4872	5.978	65	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	N[5,5]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:P[5]-3:C[6]-4:	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,5]C[6])(P[5]N[5,5]Sn)(C[6]C[6]HH)	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH){1|Sn<3>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<2>,1|P<3>,2|H<1>}	C[5,6](C[5,6]N[5,5]C[6])(P[5]N[5,5]Sn)(C[6]C[6]HH){1|C<3>,1|C<4>,1|P<2>,4|H<1>}	127.1410	0.000	1	127.1410	0.000	1	127.1410	0.000	1	121.4872	5.978	65	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:4:2:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]O)(C[6]C[6]HH){1|N<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	123.0870	0.000	1	123.0870	0.000	1	123.2930	0.085	2	125.0087	3.140	8	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:4:2:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,6])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]O)(C[6]C[6]HH){1|C<4>,2|S<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,6]){1|C<4>,1|O<1>,2|S<2>,4|H<1>}	123.4990	0.000	1	123.4990	0.000	1	123.2930	0.085	2	125.0087	3.140	8	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:4:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(N[5]C[5,6a]){1|C<4>,2|H<1>,5|C<3>}	122.2720	0.000	1	122.2720	0.000	1	122.2720	0.000	1	125.0087	3.140	8	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:4:2:	N[5,5]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:P[5]-2:	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5])	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,2|P<2>}	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5]){1|C<3>,1|C<4>,1|P<2>,4|H<1>}	126.2652	0.546	4	126.2424	0.226	5	126.2424	0.226	5	125.0087	3.140	8	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:4:2:	N[5,5]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:P[5]-2:	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5])	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH){1|Sn<3>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<2>,1|P<3>,2|H<1>}	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5]){1|C<3>,1|C<4>,1|P<3>,4|H<1>}	126.1510	0.000	1	126.2424	0.226	5	126.2424	0.226	5	125.0087	3.140	8	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:D-1:H-1:	C[5,6]-3:Ge[5]-4:C[6]-3:	C[5,6](C[5,6]Ge[5]C[6])(C[5]C[6a]O[5])(C[6]C[6]DH)	C[6](C[5,6]C[5,6]C[5])(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[5,6](C[5,6]Ge[5]C[6])(C[5]C[6a]O[5])(C[6]C[6]DH){1|D<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]DH)(D)(H){1|Ge<4>,1|D<1>,1|H<1>,1|O<2>,2|C<3>}	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>}	117.6190	0.000	1	117.6190	0.000	1	117.6190	0.000	1	119.9156	9.321	7	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(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[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Pd<4>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,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>}	115.7010	0.000	1	116.6010	1.620	2	116.6010	1.620	2	119.9156	9.321	7	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(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[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Pd<4>,1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,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>}	117.5010	0.000	1	116.6010	1.620	2	116.6010	1.620	2	119.9156	9.321	7	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]O)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	122.8270	0.000	1	122.8270	0.000	1	122.8270	0.000	1	119.9156	9.321	7	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]N[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]C)(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]N[6])(C[6]C[6]HH){2|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]C)(C[5,6]C[5]C[6]){1|C<2>,1|C<4>,1|N<3>,3|H<1>,4|C<3>}	120.5490	0.000	1	120.5490	0.000	1	120.5490	0.000	1	119.9156	9.321	7	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]N[6]H)(H)2	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]O)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]N[6]H)(H)2{2|C<4>,5|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	121.2450	0.000	1	121.2450	0.000	1	121.2450	0.000	1	119.9156	9.321	7	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	123.9670	0.000	1	123.9670	0.000	1	123.9670	0.000	1	119.9156	9.321	7	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:4:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]CC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){2|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]CC){1|C<4>,3|C<3>,3|H<1>}	124.6490	0.000	1	124.6490	0.000	1	124.6490	0.000	1	124.6490	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[5,6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]O[5,6]C[5]H)(H)2	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[5,6]HH){1|C<3>,1|C<4>,1|N<2>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	120.0740	0.000	1	120.0740	0.000	1	120.0740	0.000	1	122.2092	2.769	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:O[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5,6a]C[6a]C)(C[5,6]C[5,6a]C[6])(O[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6])(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5]C[5,6a]C[6a]C)(C[5,6]C[5,6a]C[6])(O[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	122.9900	0.290	2	122.9900	0.084	2	122.9900	0.084	2	122.2092	2.769	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]CH)(H)2	C[5,6](C[6,6]N[6,6]C[6]C)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]CH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[5,6](C[6,6]N[6,6]C[6]C)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]){2|C<4>,3|H<1>,4|C<3>}	124.0850	0.000	1	124.0850	0.000	1	122.4960	5.050	2	122.2092	2.769	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]){2|C<4>,3|C<3>,4|H<1>}	120.9070	0.000	1	120.9070	0.000	1	122.4960	5.050	2	122.2092	2.769	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[6,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[3x5]Si)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[3x5,6]C[5,6,6a]C[3x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[3x5]Si)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|Si<4>,1|C<4>,3|C<3>}	C[5,6](C[3x5,6]C[5,6,6a]C[3x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|Si<4>,2|C<2>,3|C<4>,3|H<1>,4|C<3>}	120.6580	0.000	1	120.6580	0.000	1	120.6580	0.000	1	124.5433	2.255	14	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[3x5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[3x5]C[6])(C[5]C[5,5]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(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[5,6](C[5,6]C[3x5]C[6])(C[5]C[5,5]O)(C[6]C[6]HH){1|H<1>,1|O<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{1|C<3>,1|O<1>,2|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>}	125.8770	0.000	1	125.8770	0.000	1	125.8770	0.000	1	124.5433	2.255	14	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(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[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{2|C<3>,2|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>}	123.8880	0.000	1	124.0247	0.067	3	123.8458	0.107	6	124.5433	2.255	14	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(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[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH){1|O<1>,2|O<2>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{2|C<3>,2|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>}	124.0930	0.325	2	124.0247	0.067	3	123.8458	0.107	6	124.5433	2.255	14	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(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[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{2|C<3>,2|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>}	123.4930	0.173	2	123.4930	0.030	2	123.8458	0.107	6	124.5433	2.255	14	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]H)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(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[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|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>}	124.0150	0.000	1	124.0150	0.000	1	123.8458	0.107	6	124.5433	2.255	14	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(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[5,6](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH){2|O<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	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>}	126.3170	0.000	1	126.3170	0.000	1	126.3170	0.000	1	124.5433	2.255	14	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	4:3:3:	N[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]N[5,6a]C[5,6])(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[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|H<1>,2|O<1>,3|C<3>,3|C<4>}	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,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>}	125.2757	0.412	3	125.2757	0.169	3	125.5358	0.229	5	124.5433	2.255	14	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	4:3:3:	N[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]N[5,6a]C[5,6])(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[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,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>}	125.9260	0.266	2	125.9260	0.071	2	125.5358	0.229	5	124.5433	2.255	14	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	4:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH){3|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	125.2010	0.000	1	125.2010	0.000	1	125.2195	0.001	2	125.5457	0.319	3	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	4:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	125.2380	0.000	1	125.2380	0.000	1	125.2195	0.001	2	125.5457	0.319	3	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	4:3:4:	N[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H)2	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6a]C[6]H)	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,7|C<3>}	126.1980	0.000	1	126.1980	0.000	1	126.1980	0.000	1	125.5457	0.319	3	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:3:3:	3:4:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:N-3:N-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]NN)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(NOO)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CN)(C[6]N[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]NN){1|C<4>,2|C<3>,2|N<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(NOO)2{1|S<4>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CN)(C[6]N[6]HH){1|C<4>,1|S<4>,2|C<3>,2|N<3>}	120.5330	0.000	1	120.5330	0.000	1	120.5330	0.000	1	120.5330	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:3:1:1:	3:3:4:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:P[5]-4:	C[5,6](C[5,6]C[6]P[5])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[6]O[5])(C[6]C[6a]C[6])(P[5]C[5]PdC)	C[5,6](C[5,6]C[6]P[5])(C[6]C[6]HH)(O[5]C[5]){1|Pd<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6a]C[6])(P[5]C[5]PdC){1|C<4>,3|C<3>,4|H<1>}	123.0460	0.000	1	123.0460	0.000	1	123.0460	0.000	1	123.0460	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:3:1:1:	3:4:2:	C[5,6]-3:C[6]-4:O[5]-2:	C[6,6]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(O[5]C[5])	C[6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]O[5])(H)2	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]O[5])(H)2{1|C<2>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	121.7650	0.000	1	121.7650	0.000	1	121.8125	0.005	2	121.8125	0.005	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:3:1:1:	3:4:2:	C[5,6]-3:C[6]-4:O[5]-2:	C[6,6]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(O[5]C[5])	C[6](C[6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5])(H)2	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5])(H)2{1|C<2>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	121.8600	0.000	1	121.8600	0.000	1	121.8125	0.005	2	121.8125	0.005	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:3:3:1:	3:3:4:	C[5,6]-3:C[6]-4:N[5]-2:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(N[5]C[5,6a])	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(N[5]C[5,6a]){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	126.0630	0.000	1	126.0630	0.000	1	126.0630	0.000	1	126.0630	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	3:3:2:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(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[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(O[5]C[5]){1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2{1|S<2>,2|C<3>,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>}	126.1480	0.000	1	126.1480	0.000	1	126.1480	0.000	1	123.5665	13.328	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	3:3:2:	C[5,6]-3:C[6]-4:S[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:S[5]-2:	C[5,6](C[5,6]C[6,6a]S[5])(C[6]C[6]HH)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(S[5]C[5])	C[5,6](C[5,6]C[6,6a]S[5])(C[6]C[6]HH)(S[5]C[5]){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6,6a]HH)(H)2{1|S<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(S[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	120.9850	0.000	1	120.9850	0.000	1	120.9850	0.000	1	123.5665	13.328	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(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[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2{2|H<1>,3|C<3>}	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>}	127.6615	0.193	2	127.6615	0.037	2	127.0387	1.182	3	127.4765	1.555	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(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[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,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>}	125.7930	0.000	1	125.7930	0.000	1	127.0387	1.182	3	127.4765	1.555	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(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[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5]){1|N<2>,1|O<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|N<3>,2|C<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>}	128.7900	0.000	1	128.7900	0.000	1	128.7900	0.000	1	127.4765	1.555	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]O)(C[6]C[6]HH){1|N<3>,2|C<4>,4|H<1>}	126.9220	0.000	1	126.9220	0.000	1	126.4665	0.415	2	123.1977	6.591	6	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,6])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,6]){1|C<4>,1|O<1>,2|S<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]O)(C[6]C[6]HH){1|C<4>,2|S<2>,4|H<1>}	126.0110	0.000	1	126.0110	0.000	1	126.4665	0.415	2	123.1977	6.591	6	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:P[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5])	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5]){1|C<3>,1|C<4>,1|P<2>,4|H<1>}	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	121.6547	0.438	3	121.5632	0.162	4	121.5632	0.162	4	123.1977	6.591	6	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:P[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5])	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5]){1|C<3>,1|C<4>,1|P<3>,4|H<1>}	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH){1|Sn<3>,1|C<4>,2|C<3>,4|H<1>}	121.2890	0.000	1	121.5632	0.162	4	121.5632	0.162	4	123.1977	6.591	6	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:S[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(S[5]C[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(S[5]C[5]){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(S[5]C[5]){1|C<3>,1|C<4>,4|H<1>}	124.0701	0.403	12	124.0701	0.162	12	124.0701	0.162	12	124.1842	0.240	14	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:Se[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(Se[5]N[5])	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]CH)(N[5]N[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(Se[5]N[5]){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]CH)(N[5]N[5]){1|C<4>,4|H<1>}	124.8690	0.485	2	124.8690	0.235	2	124.8690	0.235	2	124.1842	0.240	14	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[6](C[5,6]C[5,6]O[5])(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[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|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>}	126.9695	0.153	2	126.9695	0.024	2	126.5188	0.236	6	126.0651	0.420	11	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(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[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|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>}	125.9160	0.000	1	126.0450	0.033	2	126.5188	0.236	6	126.0651	0.420	11	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(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[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,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>}	126.1740	0.000	1	126.0450	0.033	2	126.5188	0.236	6	126.0651	0.420	11	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(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[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|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>}	126.5420	0.518	2	126.5420	0.268	2	126.5188	0.236	6	126.0651	0.420	11	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:Se[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]Br)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]Br){1|C<3>,1|C<4>,4|H<1>}	125.6595	0.054	2	125.6595	0.003	2	125.5206	0.075	5	126.0651	0.420	11	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:Se[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,4|H<1>}	125.1460	0.000	1	125.4765	0.218	2	125.5206	0.075	5	126.0651	0.420	11	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:Se[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|N<3>,4|H<1>}	125.8070	0.000	1	125.4765	0.218	2	125.5206	0.075	5	126.0651	0.420	11	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:Se[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]I)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|C<3>,1|C<4>,1|I<1>,4|H<1>}	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]I){1|C<3>,1|C<4>,4|H<1>}	125.3310	0.000	1	125.3310	0.000	1	125.5206	0.075	5	126.0651	0.420	11	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[6](C[5,6]C[5,6]O[5])(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[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|H<1>,1|N<3>,1|O<1>,5|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|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>}	126.6880	0.209	4	126.7988	0.094	5	126.8243	0.079	6	127.3087	0.407	23	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[6](C[5,6]C[5,6]O[5])(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[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|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>}	127.2420	0.000	1	126.7988	0.094	5	126.8243	0.079	6	127.3087	0.407	23	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[6](C[5,6]C[5,6]O[5])(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[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|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>}	126.9520	0.000	1	126.9520	0.000	1	126.8243	0.079	6	127.3087	0.407	23	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[6](C[5,6]C[5,6]O[5])(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[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|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>}	126.7285	0.084	2	126.7285	0.007	2	127.4796	0.416	17	127.3087	0.407	23	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,6])	C[6](C[5,6]C[5,6]O[5])(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[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,6]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|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>}	127.8110	0.000	1	127.8110	0.000	1	127.4796	0.416	17	127.3087	0.407	23	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(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[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<2>,1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|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>}	127.5620	0.000	1	127.4074	0.250	7	127.4796	0.416	17	127.3087	0.407	23	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(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[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|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>}	127.9375	0.276	2	127.4074	0.250	7	127.4796	0.416	17	127.3087	0.407	23	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(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[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|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>}	127.1038	0.395	4	127.4074	0.250	7	127.4796	0.416	17	127.3087	0.407	23	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(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[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|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>}	127.0550	0.000	1	127.0550	0.000	1	127.4796	0.416	17	127.3087	0.407	23	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(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[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,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>}	127.5490	0.000	1	127.5490	0.000	1	127.4796	0.416	17	127.3087	0.407	23	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(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[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,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>}	128.2470	0.000	1	127.8858	0.716	5	127.4796	0.416	17	127.3087	0.407	23	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(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[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|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>}	128.5785	0.482	2	127.8858	0.716	5	127.4796	0.416	17	127.3087	0.407	23	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(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[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|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>}	127.0125	0.132	2	127.8858	0.716	5	127.4796	0.416	17	127.3087	0.407	23	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:4:1:	3:4:2:	C[5,6]-3:C[6]-4:N[5]-2:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:Se[5]-2:	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]CH)(N[5]N[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]CH)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(Se[5]N[5])	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]CH)(N[5]N[5]){1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]CH)(H){1|Se<2>,1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(Se[5]N[5]){2|C<4>,3|H<1>}	123.3285	0.255	2	123.3285	0.065	2	123.3285	0.065	2	123.3285	0.065	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:4:4:	3:4:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6a]N[6]H)(CCHH)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]N[6]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6a]N[6]H)(CCHH)2{2|C<4>,4|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	125.2070	0.000	1	125.2070	0.000	1	125.2070	0.000	1	126.3323	1.196	3	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:4:4:	3:4:3:	C[5,6]-3:C[6]-4:S[5]-2:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]CC)(N[5]C[5]H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(S[5]C[5]){1|N<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]CC)(N[5]C[5]H){1|N<2>,2|H<1>,3|C<4>}	126.3990	0.000	1	126.8950	0.492	2	126.8950	0.492	2	126.3323	1.196	3	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:	3:4:4:4:	3:4:3:	C[5,6]-3:C[6]-4:S[5]-2:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]CC)(N[5]C[5]H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(S[5]C[5]){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]CC)(N[5]C[5]H){1|N<3>,2|H<1>,3|C<4>}	127.3910	0.000	1	126.8950	0.492	2	126.8950	0.492	2	126.3323	1.196	3	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:1:	3:2:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:O[6]-2:C[5]-4:	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	123.5510	0.000	1	123.5510	0.000	1	123.5510	0.000	1	123.5510	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:1:	3:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[6]N[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]S)(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[5,6](C[5,6]C[6,6]C[5])(C[6]N[6]HH)(C[5]C[5]H){1|O<1>,1|S<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]S)(H)2{1|C<4>,2|H<1>,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>}	117.9125	0.433	2	117.9125	0.188	2	117.9125	0.188	2	117.9125	0.188	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:N[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]N[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]N[6]HH)(C[5]C[5]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H){1|N<3>,1|O<1>,5|H<1>}	120.4140	0.000	1	120.4140	0.000	1	120.4140	0.000	1	120.4140	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CC)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	125.9640	0.000	1	125.9640	0.000	1	125.2620	0.986	2	125.2620	0.986	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]BH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|B<4>,1|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|C<2>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]BH){1|C<2>,1|C<3>,1|O<1>,2|H<1>}	124.5600	0.000	1	124.5600	0.000	1	125.2620	0.986	2	125.2620	0.986	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:3:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|C<4>,6|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	124.0170	0.000	1	124.0170	0.000	1	123.5417	0.169	3	123.3534	0.230	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:3:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C[3])	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|C<4>,6|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C[3]){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	123.3040	0.000	2	123.3040	0.000	2	123.5417	0.169	3	123.3534	0.230	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:3:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){7|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	123.4670	0.000	1	123.4670	0.000	1	123.4670	0.000	1	123.3534	0.230	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:3:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5])(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[5]C[6])(N[6]C[6]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	122.6750	0.000	1	122.6750	0.000	1	122.6750	0.000	1	123.3534	0.230	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:3:1:	3:4:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6](C[5,6]C[5]O[6])(C[6]C[5]C[6]H)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])(C[5]C[5]S[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])	C[5,6](C[5,6]C[5]O[6])(C[6]C[5]C[6]H)(C[5]C[5]O){1|C<2>,1|C<3>,1|S<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[5]C[5]S[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	123.7860	0.000	1	123.7860	0.000	1	123.7860	0.000	1	123.7860	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:4:1:	3:2:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[5,6]-3:C-4:H-1:	C[5,6]-3:O[6]-2:C[5]-4:	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]CH)(C[5]O[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CHHN)(H)	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]HH)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]CH)(C[5]O[5]O){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CHHN)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	123.8590	0.000	1	123.8590	0.000	1	123.8590	0.000	1	123.8590	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:4:1:	3:3:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6])	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	123.1285	0.875	2	123.1285	0.765	2	123.1285	0.765	2	123.3973	0.599	3	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:4:1:	3:3:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6a]C[5]H)(C[5]C[5,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5]2H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6a])	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6a]C[5]H)(C[5]C[5,6a]O){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5]2H)(H){1|H<1>,1|O<2>,3|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6a]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	123.9350	0.000	1	123.9350	0.000	1	123.9350	0.000	1	123.3973	0.599	3	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:4:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6,6]-3:C-4:H-1:	C[5,6a]-3:N[6]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]CH)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]CH)(C[5]C[5,6a]O){5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	124.8430	0.000	1	124.8430	0.000	1	124.8430	0.000	1	124.8430	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:4:3:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5,6]-3:C-4:C-3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[5,6]CC)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5])2(CCHH)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[5,6]CC)(C[5]C[5,6a]O){5|C<3>}	C[6](C[5,6]C[5,6]C[5])2(CCHH)(COO){1|N<3>,2|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6]){1|C<4>,1|H<1>,1|O<1>,7|C<3>}	125.8285	0.350	2	125.8285	0.123	2	125.7680	0.072	3	125.4952	0.346	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:4:3:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5,6]-3:C-4:C-3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[5,6]CC)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5])2(CH3)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[5,6]CC)(C[5]C[5,6a]O){5|C<3>}	C[6](C[5,6]C[5,6]C[5])2(CH3)(COO){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6]){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	125.6470	0.000	1	125.6470	0.000	1	125.7680	0.072	3	125.4952	0.346	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:4:3:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6,6]-3:C-4:C-3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]CC)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CCHH)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]CC)(C[5]C[5,6a]O){5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CCHH)(COO){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6]){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	124.6770	0.000	1	124.6770	0.000	1	124.6770	0.000	1	125.4952	0.346	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:4:3:	3:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5,6]-3:C-4:C-3:	N[6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]N[6])(C[6]C[5,6]CC)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])2(CH3)(COO)	C[5,6](N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]N[6])(C[6]C[5,6]CC)(C[5]C[5]O){3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])2(CH3)(COO){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5,6](N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	124.4550	0.000	1	124.4550	0.000	1	124.4550	0.000	1	124.4550	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:4:4:	3:3:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-3:C-4:C-4:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CC)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CCHH)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]N)(O[6]C[6])	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CC)(C[5]O[5]O){1|C<3>,2|N<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CCHH)2{1|C<3>,1|N<2>,1|O<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]N)(O[6]C[6]){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	123.7150	0.000	1	123.7150	0.000	1	123.7150	0.000	1	123.7150	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:2:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:Se[5]-2:C[6]-3:	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]Se[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6])(Se[5]Se[5])(C[6]C[6]C)	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]Se[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)2{2|Se<2>,3|C<3>,3|H<1>}	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>}	118.1790	0.000	1	118.1790	0.000	1	118.1790	0.000	1	118.1790	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(O[5]C[5]){1|C<4>,2|O<1>,3|H<1>}	118.5070	0.000	1	118.5070	0.000	1	119.1625	0.859	2	118.7547	0.929	3	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(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[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2{1|O<2>,2|C<3>,3|H<1>}	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>}	119.8180	0.000	1	119.8180	0.000	1	119.1625	0.859	2	118.7547	0.929	3	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(C[5]S[5]H)	C[6](C[5,6]C[5,6]C[5])(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[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(C[5]S[5]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|S<2>,3|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>}	117.9390	0.000	1	117.9390	0.000	1	117.9390	0.000	1	118.7547	0.929	3	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:N[5]-3:	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]H)	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	121.0290	0.000	1	121.0290	0.000	1	121.0290	0.000	1	121.0290	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	125.5780	0.000	1	125.5780	0.000	1	125.5780	0.000	1	123.1300	4.358	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	123.6160	0.000	1	123.6160	0.000	1	123.6160	0.000	1	123.1300	4.358	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(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[5]O[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	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>}	124.4980	0.000	1	124.4980	0.000	1	124.4980	0.000	1	123.1300	4.358	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC)	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C){2|C<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC){1|C<4>,4|C<3>,4|H<1>}	120.9790	0.277	2	120.9790	0.077	2	120.9790	0.077	2	123.1300	4.358	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:Se[5]-2:	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]Br)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]Br){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Br<1>,1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	121.5785	0.100	2	121.5785	0.010	2	121.5870	0.308	5	121.5870	0.308	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:Se[5]-2:	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	122.1650	0.000	1	121.4335	1.070	2	121.5870	0.308	5	121.5870	0.308	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:Se[5]-2:	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.7020	0.000	1	121.4335	1.070	2	121.5870	0.308	5	121.5870	0.308	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:Se[5]-2:	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]I)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]I){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,1|I<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|C<3>,1|C<4>,1|I<1>,4|H<1>}	121.9110	0.000	1	121.9110	0.000	1	121.5870	0.308	5	121.5870	0.308	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6,6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6]HH)(C[5]N[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]2C)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(N[5]N[5]H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6]HH)(C[5]N[5]H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]2C)(H)2{2|N<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(N[5]N[5]H){2|C<4>,5|H<1>}	122.6085	0.328	4	122.6085	0.107	4	122.6085	0.107	4	121.9582	47.269	26	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	121.9000	0.000	1	121.2525	0.839	2	121.0003	74.271	16	121.9582	47.269	26	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H){4|C<4>,4|H<1>}	120.6050	0.000	1	121.2525	0.839	2	121.0003	74.271	16	121.9582	47.269	26	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]Si)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|Si<4>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]Si){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	95.9751	0.000	1	95.9751	0.000	1	121.0003	74.271	16	121.9582	47.269	26	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	123.6850	0.000	1	122.2975	3.850	2	121.0003	74.271	16	121.9582	47.269	26	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){3|C<4>,5|H<1>}	120.9100	0.000	1	122.2975	3.850	2	121.0003	74.271	16	121.9582	47.269	26	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]Si)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]Si){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|Si<4>,1|C<4>,1|N<3>,4|H<1>}	103.1480	0.000	1	103.1480	0.000	1	121.0003	74.271	16	121.9582	47.269	26	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	124.9782	0.546	10	124.9782	0.298	10	121.0003	74.271	16	121.9582	47.269	26	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]C[5]C)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]C[5]C){1|Pd<4>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]C[5]C){1|Pd<4>,2|C<4>,4|H<1>}	121.7295	2.423	2	121.7295	5.872	2	124.0792	4.796	6	121.9582	47.269	26	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]N[5]C)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]N[5]C)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]N[5]C){1|Pt<4>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]N[5]C){1|Pt<4>,2|C<4>,4|H<1>}	125.2540	0.717	4	125.2540	0.514	4	124.0792	4.796	6	121.9582	47.269	26	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	124.8040	0.000	1	124.8040	0.000	1	124.9124	0.014	5	124.9124	0.014	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	124.9395	0.115	4	124.9395	0.013	4	124.9124	0.014	5	124.9124	0.014	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[4,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[4,6]C[5])(C[6]C[6]HH)(C[5]O[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]HH)(H)2	C[5,6](C[4,6]C[4,6]2H)(C[5,6]C[5]C[6])(C[5]O[5]O)	C[5,6](C[5,6]C[4,6]C[5])(C[6]C[6]HH)(C[5]O[5]C){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[4,6]C[4,6]2H)(C[5,6]C[5]C[6])(C[5]O[5]O){2|C<3>,2|C<4>,4|H<1>}	125.5870	0.000	1	125.5870	0.000	1	125.5870	0.000	1	124.0950	6.064	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6])(C[6]C[5,6]C)	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6])(C[6]C[5,6]C){1|C<3>,1|O<1>,5|H<1>,6|C<4>}	119.8570	0.000	1	119.8570	0.000	1	119.8570	0.000	1	124.0950	6.064	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(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[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]H){1|C<2>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|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>}	124.5010	0.014	2	124.5010	0.000	2	124.5010	0.000	2	124.0950	6.064	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]C){1|C<4>,3|C<3>,5|H<1>}	126.0290	0.000	1	126.0290	0.000	1	126.0290	0.000	1	124.0950	6.064	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,6](C[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	125.1520	0.000	1	125.1520	0.000	1	125.1520	0.000	1	124.8356	1.529	15	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]CH)	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]CH){1|O<1>,4|C<4>,6|H<1>}	123.2310	0.129	2	123.2310	0.017	2	123.2310	0.017	2	124.8356	1.529	15	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	125.5320	0.000	1	125.5320	0.000	1	125.5320	0.000	1	124.8356	1.529	15	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5,5,6]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5]C[5,5,6]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	123.9250	0.000	1	123.9250	0.000	1	123.9250	0.000	1	124.8356	1.529	15	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,3|C<4>,5|H<1>}	125.6535	0.110	2	125.5067	0.071	3	125.5966	0.230	7	124.8356	1.529	15	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,2|O<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	125.2130	0.000	1	125.5067	0.071	3	125.5966	0.230	7	124.8356	1.529	15	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO){1|O<1>,3|C<4>,5|H<1>}	126.1820	0.065	2	126.1820	0.004	2	125.5966	0.230	7	124.8356	1.529	15	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,4|C<4>,4|H<1>}	125.1460	0.346	2	125.1460	0.120	2	125.5966	0.230	7	124.8356	1.529	15	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	P[5]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[6]P[5])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](P[5]C[6a]C[5]W)(C[5,6]C[5]C[6])(C[6]C[6]HO)	C[5,6](C[5,6]C[6]P[5])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,1|W<6>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[5,6](P[5]C[6a]C[5]W)(C[5,6]C[5]C[6])(C[6]C[6]HO){2|C<4>,3|C<3>,4|H<1>}	123.2350	0.000	1	123.2350	0.000	1	123.2350	0.000	1	124.8356	1.529	15	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	Se[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]Se[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](Se[5,5]C[5,6]O[5]2)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[5,6]Se[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](Se[5,5]C[5,6]O[5]2)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	122.7040	0.000	1	122.7040	0.000	1	122.7040	0.000	1	124.8356	1.529	15	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	126.3480	0.000	1	126.3480	0.000	1	126.3480	0.000	1	124.8356	1.529	15	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:2:1:	3:3:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]HO)(C[5]N[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(O[6]C[6])	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]HO)(C[5]N[5]O){1|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	122.0093	0.414	3	122.0093	0.171	3	122.0093	0.171	3	122.0093	0.171	3	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:2:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(OH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O){1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<1>,4|C<4>}	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>}	124.6840	0.000	1	124.6840	0.000	1	124.6840	0.000	1	124.6840	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:2:1:	4:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HO)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	125.9260	0.000	1	125.9260	0.000	1	125.9260	0.000	1	125.9260	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:4:1:	3:3:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]CH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]CH)(C[5]C[5]O){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>,2|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>}	119.0615	0.284	2	119.0615	0.080	2	119.0615	0.080	2	119.0615	0.080	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:4:1:	3:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:Si-4:H-1:	C[5a,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]SiH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(SiC3)(H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]SiH)(C[5]O[5]O){2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(SiC3)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	124.3250	0.000	1	124.3250	0.000	1	124.3250	0.000	1	124.0760	0.124	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:4:1:	3:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:Si-4:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]SiH)(C[5]N[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(SiC3)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]HH)	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]SiH)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(SiC3)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]HH){1|Si<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	123.8270	0.000	1	123.8270	0.000	1	123.8270	0.000	1	124.0760	0.124	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:4:1:	3:4:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[3x6])	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]HH)(CCCH)(H){1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[3x6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	122.5078	0.590	4	122.5078	0.348	4	122.5078	0.348	4	122.5078	0.348	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:4:1:	3:4:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	126.7500	0.000	2	126.7500	0.000	2	126.8287	0.026	4	126.8287	0.026	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:4:1:	3:4:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	127.0710	0.000	1	126.9075	0.053	2	126.8287	0.026	4	126.8287	0.026	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:4:1:	3:4:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH){1|O<1>,3|H<1>,5|C<4>}	126.7440	0.000	1	126.9075	0.053	2	126.8287	0.026	4	126.8287	0.026	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:4:1:	4:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]CH)(C[5]O[5]O){1|N<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	125.3770	0.000	1	125.3770	0.000	1	125.3770	0.000	1	125.3770	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:4:4:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]N[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]N[5]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	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>}	125.4250	0.000	1	125.4250	0.000	1	125.4250	0.000	1	125.4250	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:4:4:	3:4:2:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]CC)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(S[5]C[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]CC)(N[5]C[5]H){1|N<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(S[5]C[5]){1|N<2>,3|C<4>,3|H<1>}	126.0270	0.000	1	125.7920	0.110	2	125.7920	0.110	2	125.7920	0.110	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:4:4:	3:4:2:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]CC)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(S[5]C[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]CC)(N[5]C[5]H){1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(S[5]C[5]){1|N<3>,3|C<4>,3|H<1>}	125.5570	0.000	1	125.7920	0.110	2	125.7920	0.110	2	125.7920	0.110	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:4:4:	3:4:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[5a]HO)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]O[5]O){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[5a]HO)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	127.6780	0.000	1	127.6780	0.000	1	127.6780	0.000	1	127.6780	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	4:3:1:1:	3:3:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]H)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C){1|H<1>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(H)2{1|H<1>,2|O<2>,3|C<3>,3|C<4>}	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>}	118.8730	0.000	1	118.8730	0.000	1	118.5720	0.181	2	118.5720	0.181	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	4:3:1:1:	3:3:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]H)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{2|C<3>,2|O<2>,5|C<4>}	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>}	118.2710	0.000	1	118.2710	0.000	1	118.5720	0.181	2	118.5720	0.181	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	4:3:1:1:	3:4:3:	C[5,6]-3:C[6]-4:N[5]-3:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(N[5]N[5]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]N[5])(H)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6]HH)(C[5]N[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(N[5]N[5]H){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]N[5])(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6]HH)(C[5]N[5]H){3|C<4>,4|H<1>}	125.1933	0.604	4	125.1933	0.365	4	125.1933	0.365	4	125.1933	0.365	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	4:3:3:1:	3:3:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[5,6])	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[5,6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	123.5810	0.000	1	123.5810	0.000	1	123.5810	0.000	1	123.1958	0.117	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	4:3:3:1:	3:3:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6])	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	123.3240	0.000	1	123.0673	0.077	3	123.0673	0.077	3	123.1958	0.117	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	4:3:3:1:	3:3:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6])	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	122.9390	0.235	2	123.0673	0.077	3	123.0673	0.077	3	123.1958	0.117	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	4:3:4:1:	3:4:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]SiH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H){1|Si<4>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]SiH){1|O<2>,2|C<4>,4|H<1>}	125.9890	0.000	1	125.9890	0.000	1	125.9890	0.000	1	125.9890	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:	4:3:4:4:	3:4:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CHHO)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]O[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CHHO)(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]O[5]HH){1|H<1>,1|O<1>,4|C<4>}	126.2990	0.021	2	126.2990	0.000	2	126.2990	0.000	2	126.2990	0.000	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:2:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:S[6]-2:H-1:H-1:	N[4,6]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]N[4,6]C[5])(C[5]O[5]HH)(C[6]S[6]HH)	C[6](C[5,6]C[5,6]C[5])(S[6]C[4,6])(H)2	C[5,6](N[4,6]C[4,6]C[4])(C[5,6]C[5]C[6])(C[5]O[5]O)	C[5,6](C[5,6]N[4,6]C[5])(C[5]O[5]HH)(C[6]S[6]HH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[5,6]C[5,6]C[5])(S[6]C[4,6])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5,6](N[4,6]C[4,6]C[4])(C[5,6]C[5]C[6])(C[5]O[5]O){1|C<4>,1|O<1>,1|S<2>,5|H<1>}	126.1070	0.000	1	126.1070	0.000	1	126.1070	0.000	1	126.1070	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6]-3:C[5,5]-4:C[6]-4:	C[5,6]-3:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]O)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]HH){1|H<1>,1|O<2>,7|C<3>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]O)(H)2{1|I<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H){1|I<1>,3|H<1>,5|C<3>}	115.5530	0.000	1	115.5530	0.000	1	115.5530	0.000	1	118.0525	12.495	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C[6a]H)(C[6]N[6]HH)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]S)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C[6a]H)(C[6]N[6]HH){1|S<4>,6|C<3>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]S)(H)2{1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|N<3>,5|C<3>,5|H<1>}	120.5520	0.000	1	120.5520	0.000	1	120.5520	0.000	1	118.0525	12.495	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CN)(C[6]N[6]HH)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]S)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]NN)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CN)(C[6]N[6]HH){1|C<4>,1|S<4>,2|C<3>,2|N<3>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]S)(H)2{1|N<3>,2|C<3>,2|C<4>,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]NN){1|C<4>,2|C<3>,2|N<3>,5|H<1>}	124.8660	0.000	1	124.8660	0.000	1	124.8660	0.000	1	124.6625	0.083	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[6,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HP)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6,6a]CC)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HP)(C[6]C[6,6a]HH){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2{1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6,6a]CC){1|P<4>,4|C<3>,4|H<1>}	124.4590	0.000	1	124.4590	0.000	1	124.4590	0.000	1	124.6625	0.083	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|P<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	123.5760	0.006	2	123.5760	0.000	2	123.7335	0.342	4	123.7335	0.342	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]C[6]HH){2|C<3>,2|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]C[6]HH){2|C<3>,2|O<1>,4|H<1>}	123.8910	0.963	2	123.8910	0.928	2	123.7335	0.342	4	123.7335	0.342	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:3:3:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){4|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	120.0130	0.000	1	120.0130	0.000	1	120.0130	0.000	1	121.0065	1.974	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:3:3:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[5,5a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,5a]C[6,6a])(C[6]C[6a]N[6]H)(C[5]C[5,5a]HH)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6,6a])(C[6]C[6a]N[6]H)(C[5]C[5,5a]HH){1|N<3>,1|S<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){2|N<3>,4|H<1>,5|C<3>}	122.0000	0.000	1	122.0000	0.000	1	122.0000	0.000	1	121.0065	1.974	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:3:4:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[5,6]-3:N[5]-3:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]N[6]CH)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(CCHH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]N[6]CH){1|S<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	121.4630	0.000	1	121.4630	0.000	1	121.4630	0.000	1	121.4630	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:3:4:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-3:B-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]BH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(BC[5]HH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]BH){1|C<2>,1|C<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(BC[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|B<4>,1|C<3>,4|H<1>}	125.3820	0.000	1	125.3820	0.000	1	125.3820	0.000	1	125.3820	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:3:4:4:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-3:C-4:C-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CC)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CCHH)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	124.5920	0.000	1	124.5920	0.000	1	124.5920	0.000	1	124.5920	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6](C[5,6]C[5,6a]O[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(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])(O[6]C[6])	C[5,6](C[5,6]C[5,6a]O[6])(C[5]C[5,6a]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6]){2|C<3>,3|C<4>,5|H<1>}	122.3010	0.000	1	122.3010	0.000	1	122.3010	0.000	1	122.3010	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:N[6]-3:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(N[6]C[6]S)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(N[6]C[6]S){3|C<4>,6|H<1>}	123.2920	0.000	1	123.2920	0.000	1	123.2920	0.000	1	122.4760	1.332	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:N[5]-3:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S){2|C<4>,3|C<3>,5|H<1>}	121.6600	0.000	1	121.6600	0.000	1	121.6600	0.000	1	122.4760	1.332	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){2|C<4>,5|H<1>}	124.6870	0.000	1	124.6870	0.000	1	124.6870	0.000	1	124.6870	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,7|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN){1|C<4>,8|H<1>}	124.2830	0.236	2	124.2830	0.056	2	124.2830	0.056	2	124.4985	3.001	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:S[5]-4:	C[5,6](C[5,6]C[6]S[5])(C[5]N[5]HO)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(S[5]N[5]OO)	C[5,6](C[5,6]C[6]S[5])(C[5]N[5]HO)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(S[5]N[5]OO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	122.6210	0.000	1	122.6210	0.000	1	122.6210	0.000	1	124.4985	3.001	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:S[5]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(S[5]N[5]OO)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]S[5])(C[5]N[5]HO)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(S[5]N[5]OO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5,6]C[6]S[5])(C[5]N[5]HO)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<1>,4|H<1>}	126.8070	0.000	1	126.8070	0.000	1	126.8070	0.000	1	124.4985	3.001	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)2	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]O)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]O){1|C<4>,2|C<3>,4|H<1>}	121.3480	0.000	1	121.3480	0.000	1	121.3480	0.000	1	123.2823	1.889	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O){1|O<2>,3|C<4>,6|H<1>}	123.4050	0.000	1	123.4050	0.000	1	123.9270	0.340	3	123.2823	1.889	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O)	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O){4|C<4>,6|H<1>}	123.8200	0.000	1	124.1880	0.271	2	123.9270	0.340	3	123.2823	1.889	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O)	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O){1|C<3>,3|C<4>,6|H<1>}	124.5560	0.000	1	124.1880	0.271	2	123.9270	0.340	3	123.2823	1.889	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	4:3:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CC)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CC)(C[6]C[6]HH){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<3>,4|C<4>,7|H<1>}	122.9785	0.500	2	122.9785	0.250	2	122.9785	0.250	2	122.9785	0.250	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[3,5]C[5,6])(C[5]C[3,5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[3,5]C[3,5]C[3,6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[5,6])(C[5]C[3,5]HH)(C[6]C[6]HH){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{2|H<1>,5|C<4>}	C[5,6](C[3,5]C[3,5]C[3,6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]){6|C<4>,7|H<1>}	123.9380	0.000	1	123.9380	0.000	1	123.9380	0.000	1	123.9380	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:2:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|C<4>,2|O<2>,4|H<1>}	124.5530	0.110	4	124.5530	0.012	4	124.5530	0.012	4	124.5530	0.012	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:2:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClH)(OH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HO){1|Cl<1>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClH)(OH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	124.2960	0.000	1	124.2960	0.000	1	124.6313	0.236	3	124.6313	0.236	3	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:2:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	124.4090	0.000	1	124.4090	0.000	1	124.6313	0.236	3	124.6313	0.236	3	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:2:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HO)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HO){1|Cl<1>,1|C<4>,1|O<2>,4|H<1>}	125.1890	0.000	1	125.1890	0.000	1	124.6313	0.236	3	124.6313	0.236	3	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:3:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6]-3:C[6]-4:C[6a]-3:H-1:	N[6,6]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]N[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]N[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]N[5]O)	C[5,6](C[5,6]N[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]N[5]HH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){3|C<3>,3|N<3>,5|H<1>}	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]N[5]O){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	122.6950	0.000	1	122.6950	0.000	1	122.6950	0.000	1	122.6950	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:3:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:N-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,7|H<1>}	124.3155	0.701	2	124.3155	0.491	2	124.3155	0.491	2	124.3155	0.491	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:3:1:	4:3:2:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:S[6]-4:C-3:H-1:	C[6]-4:C[5,6]-3:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(C[6]S[6]CH)	C[6](C[5,6]C[5,6]C[5])(S[6]C[6]OO)(CC[6a]O)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(S[5]C[5])	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(C[6]S[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]C[5])(S[6]C[6]OO)(CC[6a]O)(H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(S[5]C[5]){1|S<4>,5|C<3>,5|H<1>}	125.6910	0.000	1	125.6910	0.000	1	125.4125	0.155	2	125.4125	0.155	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:3:1:	4:3:2:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:S[6]-4:C-3:H-1:	C[6]-4:C[5,6]-3:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(C[6]S[6]CH)	C[6](C[5,6]C[5,6]C[5])(S[6]C[6]OO)(COO)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(S[5]C[5])	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(C[6]S[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]C[5])(S[6]C[6]OO)(COO)(H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(S[5]C[5]){1|S<4>,5|C<3>,5|H<1>}	125.1340	0.000	1	125.1340	0.000	1	125.4125	0.155	2	125.4125	0.155	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:3:1:	4:3:4:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<4>,4|C<3>,4|H<1>}	126.8410	0.000	1	126.8410	0.000	1	126.8410	0.000	1	126.8410	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:4:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O){3|C<4>,4|H<1>}	123.1970	0.000	2	123.1970	0.000	2	123.6942	0.342	4	123.8950	0.458	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:4:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	124.3270	0.000	1	124.1915	0.037	2	123.6942	0.342	4	123.8950	0.458	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:4:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH){1|O<1>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	124.0560	0.000	1	124.1915	0.037	2	123.6942	0.342	4	123.8950	0.458	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:4:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]O[5]O){2|C<4>,5|H<1>}	124.6980	0.000	1	124.6980	0.000	1	124.6980	0.000	1	123.8950	0.458	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:4:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(H)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|O<1>,5|H<1>,6|C<4>}	123.3170	0.000	1	123.3170	0.000	1	123.3170	0.000	1	123.3170	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:4:2:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:C-4:O-2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O){1|O<1>,1|O<2>,5|H<1>,7|C<4>}	121.8750	0.000	1	121.6490	0.102	2	121.6490	0.102	2	121.6490	0.102	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:4:2:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:C-4:O-2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,4|H<1>,6|C<4>}	121.4230	0.000	1	121.6490	0.102	2	121.6490	0.102	2	121.6490	0.102	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:4:2:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:C-4:O-2:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6]C[5]H)(C[6]C[6]CO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH)	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6]C[5]H)(C[6]C[6]CO){1|C<3>,3|H<1>,4|C<4>,4|O<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH){3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]){1|O<1>,2|O<2>,4|H<1>,9|C<4>}	124.2110	0.000	1	124.2110	0.000	1	124.2110	0.000	1	124.2110	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:4:4:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]CC)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5]C[6]H)(CH3)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]CC){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5]C[6]H)(CH3)2{2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){2|C<3>,3|H<1>,5|C<4>}	125.5180	0.000	1	125.5180	0.000	1	125.5180	0.000	1	125.5180	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:4:4:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	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>}	124.9330	0.000	1	124.9330	0.000	1	124.9330	0.000	1	124.9330	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	3:4:4:4:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){3|H<1>,4|C<4>}	125.8040	0.000	1	125.8040	0.000	1	125.8040	0.000	1	125.8040	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	4:3:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C[5]-4:	C[3,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[3,6]HH)(C[5]C[5]HH)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[3,6]HH)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[3,6]HH)(C[5]C[5]HH){1|C<3>,2|C<4>,6|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5])(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[3,6]HH)(C[5]C[5]HH){1|C<3>,2|C<4>,6|H<1>}	125.1120	0.089	2	125.1120	0.008	2	125.1120	0.008	2	125.1120	0.008	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	4:3:1:1:	4:3:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[3,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[3,6]HH)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[3,6]HH)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[3,6]HH){4|H<1>,5|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5])(H)2{2|Cl<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[3,6]HH){1|O<2>,4|C<4>,7|H<1>}	125.8120	0.000	1	125.8120	0.000	1	125.8120	0.000	1	125.8120	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	4:3:2:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]O[5]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]O[5]HH){1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	124.8905	0.824	2	124.8905	0.679	2	124.8905	0.679	2	124.8905	0.679	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	4:3:3:1:	4:3:4:	C[5,6]-3:C[6]-4:C[5]-4:	C[6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH)	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	126.6120	0.000	1	126.6120	0.000	1	126.6120	0.000	1	126.6120	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	4:3:4:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6]-4:C[5,6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]SiH)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]SiH){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H){1|Si<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H){1|Si<4>,1|O<2>,2|C<4>,4|H<1>}	125.4910	0.000	1	125.4910	0.000	1	125.4910	0.000	1	125.4910	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:	4:3:4:4:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-3:C[6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]OO)	C[6](C[5,6]C[5,6]N[5]C)(C[5,6]C[5,6]C[5])(CH3)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]OO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]N[5]C)(C[5,6]C[5,6]C[5])(CH3)2{1|C<4>,3|O<2>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]O[5]O){1|C<3>,2|O<2>,3|C<4>}	122.4700	0.000	1	122.4700	0.000	1	122.4700	0.000	1	122.4700	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:2:	3:3:4:1:	3:4:3:	C[6]-4:C[5,6]-3:O[5]-2:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]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)(H)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	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>}	126.8990	0.000	1	126.8990	0.000	1	126.8990	0.000	1	126.8990	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:2:	3:3:4:1:	3:4:4:	C[6]-4:C[5,6]-3:S[5]-2:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H)	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(C[6]S[6]CH)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(S[5]C[5]){1|S<4>,5|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(C[6]S[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	129.0930	0.247	2	129.0930	0.061	2	129.0930	0.061	2	129.0930	0.061	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5a]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:N[6]-3:	C[5,6](C[6]C[5a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]N)(N[6]C[6]H)	C[5,6](C[6]C[5a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]N)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	123.4930	0.000	1	123.4930	0.000	1	123.4930	0.000	1	124.3684	0.856	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[6]-3:C[5,6]-3:C[5]-3:	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]O)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	124.4435	0.226	2	124.4435	0.051	2	124.4435	0.051	2	124.3684	0.856	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:N[6]-3:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(N[6]C[6]C)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<2>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|C<3>,3|N<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	125.8110	0.000	1	125.8110	0.000	1	125.8110	0.000	1	124.3684	0.856	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:C[5]-3:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]N[5]O)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|C<3>,3|N<3>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	123.6510	0.000	1	123.6510	0.000	1	123.6510	0.000	1	124.3684	0.856	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	124.0390	0.000	1	124.0390	0.000	1	124.0390	0.000	1	123.9416	0.396	8	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:N[6]-3:C[5]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O){4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH){1|O<1>,3|C<3>,3|H<1>}	122.9940	0.000	1	122.9940	0.000	1	123.9277	0.460	7	123.9416	0.396	8	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:N[6]-3:C[5]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O){4|C<3>,5|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH){1|O<1>,3|C<3>,3|H<1>}	123.2750	0.000	1	123.2750	0.000	1	123.9277	0.460	7	123.9416	0.396	8	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:N[6]-3:C[5]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]O[5]HH)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]O[5]HH){1|H<1>,1|O<1>,3|C<3>}	124.3370	0.512	4	124.3370	0.262	4	123.9277	0.460	7	123.9416	0.396	8	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:N[6]-3:C[5]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]O[5]HH)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]O[5]HH){1|H<1>,1|O<1>,3|C<3>}	123.8770	0.000	1	123.8770	0.000	1	123.9277	0.460	7	123.9416	0.396	8	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:3:1:	3:4:3:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:N[6]-3:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]C[5]O){4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	123.6670	0.000	1	123.6670	0.000	1	123.6670	0.000	1	123.6670	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:3:3:	3:3:4:	C[6]-4:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:C[6a]-3:	C[6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]C[5]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)2	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC)	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]C[5]C){1|O<1>,2|C<2>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)2{1|C<2>,1|C<4>,5|H<1>,8|C<3>}	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC){1|C<2>,1|O<1>,6|C<3>}	120.1913	0.597	3	120.1913	0.356	3	120.1913	0.356	3	120.1913	0.356	3	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:N[5]-3:O[6]-2:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]O[6])(C[5]N[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]N[5])(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]O[6])(C[5]N[5]C){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]N[5])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	121.6100	0.000	1	121.6100	0.000	1	121.6100	0.000	1	121.6100	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]N[6]H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]CH)(H){4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]N[6]H){1|C<3>,1|C<4>,4|H<1>}	120.1820	0.000	1	120.1820	0.000	1	120.1820	0.000	1	120.1820	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:4:1:	3:4:3:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5]H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]C){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	123.2130	0.000	1	123.2130	0.000	1	123.2130	0.000	1	123.2130	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:4:2:	3:2:2:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[6]-4:O-2:	C[5,6]-3:N[5]-2:S[6]-2:	C[5,6](C[6]C[6a]C[6]O)(C[5,6]N[5]S[6])(C[5]C[5,5]C)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6])(N[5]C[5,5])(S[6]C[6])	C[5,6](C[6]C[6a]C[6]O)(C[5,6]N[5]S[6])(C[5]C[5,5]C){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|N<2>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[5,5])(S[6]C[6]){1|O<2>,2|C<4>,4|C<3>}	121.7067	1.734	3	121.7067	3.005	3	121.7067	3.005	3	121.7067	3.005	3	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:3:	4:3:3:1:	3:3:4:	C[6]-4:C[5,6]-3:C[5]-3:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6])(C[5]C[5]O)	C[6](C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[5]C[5]HH)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6])(C[5]C[5]O){1|S<2>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	122.5830	0.000	1	122.5830	0.000	1	122.5830	0.000	1	122.5830	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:3:	4:3:3:1:	4:3:3:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]C[6a]C[5])	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[6a]C[5])	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]C[6a]C[5]){3|H<1>,9|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,8|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[6a]C[5]){1|C<4>,3|H<1>,7|C<3>}	122.5250	0.000	1	122.5250	0.000	1	122.5250	0.000	1	122.5250	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:3:1:1:	3:2:3:	C[5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:O[5]-2:C[6]-3:	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5,6,6]C[6])(O[5]C[5,6,6])(C[6]C[6]H)	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6,6]C[6])(O[5]C[5,6,6])(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	119.7940	0.000	1	119.7940	0.000	1	119.7940	0.000	1	119.7940	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:3:3:1:	3:3:2:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|C<2>,1|C<4>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	123.2180	0.000	1	123.2180	0.000	1	123.6285	0.337	2	123.6285	0.337	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:3:3:1:	3:3:2:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	124.0390	0.000	1	124.0390	0.000	1	123.6285	0.337	2	123.6285	0.337	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:3:3:1:	3:3:4:	C[6]-4:C[5,6]-3:S[5]-4:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(S[5]C[5]OO)	C[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[6]S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(S[5]C[5]OO){4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,3|O<1>,4|C<4>}	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[6]S[5])(C[5]C[5]HH){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	125.2720	0.000	1	125.2720	0.000	1	125.2720	0.000	1	125.2720	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:3:3:1:	3:4:2:	C[6]-4:C[5,6]-3:S[5]-4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(S[5]C[5]OO)	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(S[5]C[5]OO){1|C<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(O[6]C[6]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	125.6070	0.802	2	125.6070	0.643	2	125.6070	0.643	2	125.6070	0.643	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:3:3:1:	4:3:4:	C[6]-4:C[5,6]-3:C[5]-4:	N[5a,6]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[6]N[5a,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]O[5]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,6](C[6]N[5a,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]O[5]HH){1|N<3>,2|H<1>,5|C<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|N<3>,4|H<1>,5|C<3>}	124.4815	0.479	2	124.4815	0.229	2	124.4815	0.229	2	124.4815	0.229	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:3:4:1:	3:3:2:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]C[5]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	123.1260	0.000	1	123.1260	0.000	1	122.3344	0.821	7	122.4119	0.752	8	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:3:4:1:	3:3:2:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	122.0705	0.091	2	122.0705	0.008	2	122.3344	0.821	7	122.4119	0.752	8	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:3:4:1:	3:3:2:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	123.7420	0.000	1	123.7420	0.000	1	122.3344	0.821	7	122.4119	0.752	8	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:3:4:1:	3:3:2:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	121.4950	0.873	2	121.7773	0.620	3	122.3344	0.821	7	122.4119	0.752	8	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:3:4:1:	3:3:2:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	122.3420	0.000	1	121.7773	0.620	3	122.3344	0.821	7	122.4119	0.752	8	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:3:4:1:	3:3:2:	C[6]-4:C[5,6]-3:C[5]-4:	C[6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	122.9540	0.000	1	122.9540	0.000	1	122.9540	0.000	1	122.4119	0.752	8	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:3:4:1:	3:3:4:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,7|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	124.0830	0.000	1	124.0830	0.000	1	124.0830	0.000	1	124.0830	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:3:2:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[5,5]C[5,5]2C)(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]O)(O[6]C[6])	C[5,6](C[5,5]C[5,5]2C)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|O<1>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]O)(O[6]C[6]){3|H<1>,6|C<4>}	121.1760	0.001	2	121.1760	0.000	2	121.1760	0.000	2	121.7888	0.164	8	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:3:2:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6]){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	121.7950	0.000	1	121.9930	0.030	6	121.9930	0.030	6	121.7888	0.164	8	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:3:2:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6]){1|C<4>,2|C<3>,6|H<1>}	121.9180	0.030	3	121.9930	0.030	6	121.9930	0.030	6	121.7888	0.164	8	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:3:2:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6]){1|C<3>,2|C<4>,6|H<1>}	122.2045	0.053	2	121.9930	0.030	6	121.9930	0.030	6	121.7888	0.164	8	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:3:3:	C[4,5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](C[4,5]C[4,5]C[4]O[5])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[4,5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[4,5]C[4,5]C[4]O[5])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[4,5]C[6])(C[5]O[5]O)(C[6]C[6]H){3|C<4>,3|H<1>}	121.6400	0.000	1	121.6400	0.000	1	121.6400	0.000	1	125.0860	5.293	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(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])(N[6]C[6]S)	C[5,6](C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])(C[6]C[6]HH){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]S){1|C<4>,3|C<3>,6|H<1>}	126.2347	0.152	3	126.2347	0.023	3	126.2347	0.023	3	125.0860	5.293	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:3:4:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH){3|H<1>,6|C<4>}	122.4300	0.000	1	122.4300	0.000	1	122.3055	0.031	2	122.3055	0.031	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:3:4:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	122.1810	0.000	1	122.1810	0.000	1	122.3055	0.031	2	122.3055	0.031	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:4:3:	C[4,5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[4,6]-4:C[5]-3:	C[5,6](C[4,5]C[4,5]C[4]O[5])(C[5,6]C[4,6]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[4,6]HH)(H)2	C[5,6](C[5,6]C[4,5]C[6])(C[4,6]C[4,6]2H)(C[5]O[5]O)	C[5,6](C[4,5]C[4,5]C[4]O[5])(C[5,6]C[4,6]C[5])(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[4,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[4,5]C[6])(C[4,6]C[4,6]2H)(C[5]O[5]O){1|C<3>,4|C<4>,4|H<1>}	123.5360	0.000	1	123.5360	0.000	1	123.5360	0.000	1	124.7428	1.832	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:4:3:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]CH)(C[5]O[5]O){1|N<3>,2|C<4>,4|H<1>}	123.6400	0.000	1	123.6400	0.000	1	123.6400	0.000	1	124.7428	1.832	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:4:3:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5]C[5,5,6]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5]C[5,5,6]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){2|C<4>,5|H<1>}	126.3530	0.000	1	126.3530	0.000	1	126.3530	0.000	1	124.7428	1.832	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:4:3:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	124.1390	0.000	1	124.1390	0.000	1	124.1390	0.000	1	124.7428	1.832	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:4:3:	Se[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](Se[5,5]C[5,6]O[5]2)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]Se[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]Se[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](Se[5,5]C[5,6]O[5]2)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]Se[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]Se[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	126.0460	0.000	1	126.0460	0.000	1	126.0460	0.000	1	124.7428	1.832	5	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	4:3:4:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,5]C[5,5]C[5]Fe)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5,5]C[6a]O)(C[5,6]C[5,5]C[6])(C[6]C[6]HH)	C[5,6](C[5,5]C[5,5]C[5]Fe)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|Fe<10>,2|H<1>,4|C<4>}	C[5,6](C[5]C[5,5]C[6a]O)(C[5,6]C[5,5]C[6])(C[6]C[6]HH){1|Fe<10>,2|C<3>,3|C<4>,4|H<1>}	124.3560	0.132	2	124.3560	0.017	2	124.3560	0.017	2	124.3383	0.008	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	4:3:4:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5]C[5,5]C[6a]O)(C[5,6]C[5,5]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5]C[5,5]C[5]Fe)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]C[6a]O)(C[5,6]C[5,5]C[6])(C[6]C[6]HH){1|Fe<10>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]C[5]Fe)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	124.3205	0.067	2	124.3205	0.005	2	124.3205	0.005	2	124.3383	0.008	4	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:4:2:1:	3:4:3:	P[5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](P[5]C[6a]C[5]W)(C[5,6]C[5]C[6])(C[6]C[6]HO)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6a]C[6]H)(OC)(H)	C[5,6](C[5,6]C[6]P[5])(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](P[5]C[6a]C[5]W)(C[5,6]C[5]C[6])(C[6]C[6]HO){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]P[5])(C[6]C[6a]C[6]H)(OC)(H){1|C<4>,1|W<6>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6]P[5])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,1|W<6>,4|H<1>}	123.4370	0.000	1	123.4370	0.000	1	123.4370	0.000	1	123.4370	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	3:4:4:1:	3:4:3:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]CH)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]CH){1|O<1>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	121.5460	0.361	2	121.5460	0.130	2	121.5460	0.130	2	121.5460	0.130	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	4:3:1:1:	3:4:4:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[3,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[3,6]HH)	C[6](C[3,6]C[3,6]C[3]O)(C[5,6]C[5,6]2)(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[3,6]HH)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[3,6]HH){1|O<2>,4|C<4>,7|H<1>}	C[6](C[3,6]C[3,6]C[3]O)(C[5,6]C[5,6]2)(H)2{2|Cl<1>,1|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[3,6]HH){4|H<1>,5|C<4>}	124.9900	0.000	1	124.9900	0.000	1	124.9900	0.000	1	124.9900	0.000	1	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	4:3:3:1:	3:2:3:	C[6]-4:C[5,6]-3:C[5]-4:	C[4,5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:O[6]-2:C[5]-3:	C[5,6](C[6]C[4,5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[6](C[4,5,6]C[4,5,6]C[4]O[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6])(O[6]C[4,5,6])(C[5]N[5]O)	C[5,6](C[6]C[4,5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[4,5,6]C[4,5,6]C[4]O[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,5|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[4,5,6])(C[5]N[5]O){2|C<3>,3|C<4>,3|H<1>}	124.4670	0.000	1	124.4670	0.000	1	124.4670	0.000	1	124.0325	0.378	2	123.4903	8.736	443	123.0818	12.918	530
818	466	818	6:SP2_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:	4:3:3:1:	3:2:3:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:O[6]-2:C[5]-3:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6])(O[6]C[5,6])(C[5]N[5]O)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[5,6])(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	123.5980	0.000	1	123.5980	0.000	1	123.5980	0.000	1	124.0325	0.378	2	123.4903	8.736	443	123.0818	12.918	530
818	466	891	0:SP2_SP2_SP3	C[5,6,6]	C[3x6]	S[5]	3:4:2:	3:4:4:1:	3:2:	C[5,6,6]-3:C[3x6]-4:S[5]-2:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:S[5]-2:	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(S[5]S[5])	C[3x6](C[5,6,6]C[5,6,6]S[5])(C[6,6]C[6,6]HH)2(H)	S[5](C[5,6,6]C[5,6,6]C[3x6])(S[5]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(S[5]S[5]){3|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]S[5])(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	S[5](C[5,6,6]C[5,6,6]C[3x6])(S[5]C[5]){1|H<1>,4|C<4>}	126.7700	0.000	1	126.7700	0.000	1	126.7700	0.000	1	126.7700	0.000	1	126.7700	0.000	1	119.4161	5.888	20
818	466	891	0:SP2_SP2_SP3	C[5,6]	C[6]	S[5]	3:4:2:	3:4:1:1:	3:3:	C[5,6]-3:C[6]-4:S[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[6,6a]S[5])(C[6]C[6]HH)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6,6a]HH)(H)2	S[5](C[5,6]C[5,6]C[6])(C[5]C[5]S[5])	C[5,6](C[5,6]C[6,6a]S[5])(C[6]C[6]HH)(S[5]C[5]){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6,6a]HH)(H)2{1|S<2>,3|C<3>}	S[5](C[5,6]C[5,6]C[6])(C[5]C[5]S[5]){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	120.8270	0.000	1	120.8270	0.000	1	118.6013	0.863	12	118.6013	0.863	12	118.8367	2.895	16	119.4161	5.888	20
818	466	891	0:SP2_SP2_SP3	C[5,6]	C[6]	S[5]	3:4:2:	3:4:1:1:	3:3:	C[5,6]-3:C[6]-4:S[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2	S[5](C[5,6]C[5,6]C[6])(C[5]C[5]S[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(S[5]C[5]){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	S[5](C[5,6]C[5,6]C[6])(C[5]C[5]S[5]){2|C<4>,2|H<1>,2|S<2>}	118.3990	0.640	11	118.3990	0.409	11	118.6013	0.863	12	118.6013	0.863	12	118.8367	2.895	16	119.4161	5.888	20
818	466	891	0:SP2_SP2_SP3	C[5,6]	C[6]	S[5]	3:4:2:	3:4:4:4:	3:3:	C[5,6]-3:C[6]-4:S[5]-2:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CH3)2	S[5](C[5,6]C[5,6]C[6])(C[5]N[5]N)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(S[5]C[5]){1|N<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	S[5](C[5,6]C[5,6]C[6])(C[5]N[5]N){1|H<1>,4|C<4>}	122.7520	0.000	1	122.3155	0.381	2	122.3155	0.381	2	122.3155	0.381	2	118.8367	2.895	16	119.4161	5.888	20
818	466	891	0:SP2_SP2_SP3	C[5,6]	C[6]	S[5]	3:4:2:	3:4:4:4:	3:3:	C[5,6]-3:C[6]-4:S[5]-2:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CH3)2	S[5](C[5,6]C[5,6]C[6])(C[5]N[5]N)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(S[5]C[5]){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	S[5](C[5,6]C[5,6]C[6])(C[5]N[5]N){1|H<1>,4|C<4>}	121.8790	0.000	1	122.3155	0.381	2	122.3155	0.381	2	122.3155	0.381	2	118.8367	2.895	16	119.4161	5.888	20
818	466	891	0:SP2_SP2_SP3	C[5,6]	C[6]	S[5]	4:3:2:	3:3:4:1:	3:4:	C[6]-4:C[5,6]-3:S[5]-2:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-4:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H)	S[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(S[5]C[5]){1|S<4>,5|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|C<3>,2|H<1>,2|O<1>,3|C<4>}	S[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H){2|C<4>,3|C<3>,3|H<1>}	116.7705	0.375	2	116.7705	0.141	2	116.7705	0.141	2	116.7705	0.141	2	118.8367	2.895	16	119.4161	5.888	20
818	466	891	0:SP2_SP2_SP3	C[5]	C[6]	S[5]	3:4:2:	3:4:4:1:	3:2:	C[5,6,6]-3:C[6]-4:S[5]-2:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5]-3:S[5]-2:	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6]C[6]2H)(S[5]S[5])	C[6](C[5]C[5,6,6]S[5])(C[6]C[6]HH)2(H)	S[5](C[5]C[5,6,6]C[6])(S[5]C[5,6,6])	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6]C[6]2H)(S[5]S[5]){5|C<4>,5|H<1>}	C[6](C[5]C[5,6,6]S[5])(C[6]C[6]HH)2(H){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	S[5](C[5]C[5,6,6]C[6])(S[5]C[5,6,6]){1|H<1>,4|C<4>}	117.8940	0.000	1	117.8940	0.000	1	117.8940	0.000	1	117.8940	0.000	1	120.0547	3.885	3	119.4161	5.888	20
818	466	891	0:SP2_SP2_SP3	C[5]	C[6]	S[5]	4:2:2:	3:3:3:1:	3:3:	C[6]-4:C[5]-2:S[5]-2:	C[5,6]-3:C[5]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:	C[5](C[6]C[5,6]C[6]H)(C[5]C[5])(S[5]C[5])	C[6](C[5,6]C[5,6]C[5])(C[5]C[5]S[5])(C[6]C[6]H)(H)	S[5](C[5]C[5]C[6])(C[5]C[5]H)	C[5](C[6]C[5,6]C[6]H)(C[5]C[5])(S[5]C[5]){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[5]C[5]S[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	S[5](C[5]C[5]C[6])(C[5]C[5]H){2|C<3>,2|H<1>}	120.5160	0.000	1	120.5160	0.000	1	120.5160	0.000	1	120.5160	0.000	1	120.0547	3.885	3	119.4161	5.888	20
818	466	891	0:SP2_SP2_SP3	C[5]	C[6]	S[5]	4:4:2:	3:4:3:1:	3:3:	C[5]-4:C[6]-4:S[5]-2:	C[5]-3:C[6]-4:C[6]-3:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[6]C[6]2H)(S[5]C[5])	C[6](C[5]C[5]S[5])(C[6]C[6]HH)(C[6]C[6]C)(H)	S[5](C[5]C[5]C[6])(C[5]C[5]H)	C[5](C[5]C[5]HH)(C[6]C[6]2H)(S[5]C[5]){3|C<3>,4|H<1>}	C[6](C[5]C[5]S[5])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	S[5](C[5]C[5]C[6])(C[5]C[5]H){1|C<3>,1|C<4>,4|H<1>}	121.7540	0.000	1	121.7540	0.000	1	121.7540	0.000	1	121.7540	0.000	1	120.0547	3.885	3	119.4161	5.888	20
818	466	959	0:SP2_SP3_SP3	C[5,6]	C[6]	S[5]	3:4:4:	3:4:1:1:	3:3:1:1:	C[5,6]-3:C[6]-4:S[5]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:O-1:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(S[5]N[5]OO)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2	S[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(O)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(S[5]N[5]OO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	S[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(O)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	121.6090	0.000	1	121.6090	0.000	1	121.6090	0.000	1	121.6090	0.000	1	123.9197	2.469	4	123.9197	2.469	4
818	466	959	0:SP2_SP3_SP3	C[5,6]	C[6]	S[5]	4:3:4:	3:3:3:1:	3:4:1:1:	C[6]-4:C[5,6]-3:S[5]-4:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[5,6]-3:C[5]-4:O-1:O-1:	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(S[5]C[5]OO)	C[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	S[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)2	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(S[5]C[5]OO){4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,3|O<1>,4|C<4>}	S[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)2{1|N<3>,2|C<3>,3|H<1>}	124.4490	0.000	1	124.4490	0.000	1	124.4490	0.000	1	124.6900	0.144	3	123.9197	2.469	4	123.9197	2.469	4
818	466	959	0:SP2_SP3_SP3	C[5,6]	C[6]	S[5]	4:3:4:	3:3:3:1:	3:4:1:1:	C[6]-4:C[5,6]-3:S[5]-4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:O-1:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(S[5]C[5]OO)	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	S[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)2	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(S[5]C[5]OO){1|C<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	S[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)2{1|O<2>,2|C<3>,3|H<1>}	124.8105	0.448	2	124.8105	0.200	2	124.8105	0.200	2	124.6900	0.144	3	123.9197	2.469	4	123.9197	2.469	4
818	466	960	0:SP2_SP2_SP3	C[5,6,6]	C[3x6]	N[5]	4:4:2:	3:4:3:4:	3:3:	C[5,6,6]-4:C[3x6]-4:N[5]-2:	C[5,6,6]-3:C[6,6]-4:N[6,6]-3:C-4:	C[5,6,6]-3:C[5,6a]-3:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]C)(N[5]C[5,6a])	C[3x6](C[5,6,6]C[5,6,6]N[5])(C[6,6]C[6]2O)(N[6,6]C[6]2)(CH3)	N[5](C[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]C)(N[5]C[5,6a]){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]N[5])(C[6,6]C[6]2O)(N[6,6]C[6]2)(CH3){1|C<4>,4|C<3>,7|H<1>}	N[5](C[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	127.6610	0.406	2	127.6610	0.165	2	127.6610	0.165	2	127.6610	0.165	2	128.1767	0.505	4	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6,6]	C[3x6]	N[5]	4:4:2:	3:4:4:1:	3:3:	C[5,3x6]-4:C[3x6]-4:N[5]-2:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[5,6a]-3:	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[3x6]C[6,6]2H)(N[5]C[5,6a])	C[3x6](C[5,6,6]C[5,3x6]N[5])(C[6,6]C[3x6]HH)2(H)	N[5](C[5,6,6]C[5,3x6]C[3x6])(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[3x6]C[6,6]2H)(N[5]C[5,6a]){2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[5,6,6]C[5,3x6]N[5])(C[6,6]C[3x6]HH)2(H){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6,6]C[5,3x6]C[3x6])(C[5,6a]C[5,6a]C[6a]){2|C<3>,2|H<1>,4|C<4>}	128.6925	0.534	2	128.6925	0.285	2	128.6925	0.285	2	128.6925	0.285	2	128.1767	0.505	4	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6,6]	C[4x6]	N[5]	4:4:2:	3:4:4:1:	3:4:	C[5,4x6]-4:C[4x6]-4:N[5]-2:	C[5,6,6]-3:C[6x6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[5]-4:	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5])	C[4x6](C[5,6,6]C[5,4x6]N[5])(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	N[5](C[5,6,6]C[5,4x6]C[4x6])(C[5]C[5,6]HH)	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5]){1|O<2>,6|H<1>,7|C<4>}	C[4x6](C[5,6,6]C[5,4x6]N[5])(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	N[5](C[5,6,6]C[5,4x6]C[4x6])(C[5]C[5,6]HH){1|H<1>,6|C<4>}	126.6903	0.590	3	126.6903	0.349	3	126.6903	0.349	3	126.6903	0.349	3	126.6903	0.349	3	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6,6]	C[6,6]	N[5]	4:4:2:	3:3:3:4:	3:3:	C[5,6,6]-4:C[6,6]-4:N[5]-2:	C[5,6,6]-3:C[6]-3:N[6]-3:C-4:	C[5,6,6]-3:C[5,6a]-3:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]C)(N[5]C[5,6a])	C[6,6](C[5,6,6]C[5,6,6]N[5])(C[6]C[6]C)(N[6]C[6]C)(CH3)	N[5](C[5,6,6]C[5,6,6]C[6,6])(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]C)(N[5]C[5,6a]){3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,6,6]N[5])(C[6]C[6]C)(N[6]C[6]C)(CH3){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6,6]C[5,6,6]C[6,6])(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	126.0620	0.000	1	126.0620	0.000	1	126.0620	0.000	1	126.0620	0.000	1	127.4315	3.751	2	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6,6]	C[6,6]	N[5]	4:4:2:	3:3:4:4:	3:3:	C[5,3x6]-4:C[6,6]-4:N[5]-2:	C[5,6,6]-3:N[3x6]-3:C-4:C-4:	C[5,6,6]-3:C[5,6a]-3:	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]CC)(N[5]C[5,6a])	C[6,6](C[5,6,6]C[5,3x6]N[5])(N[3x6]C[6,6]2)(CH3)2	N[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]CC)(N[5]C[5,6a]){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,3x6]N[5])(N[3x6]C[6,6]2)(CH3)2{1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	128.8010	0.000	1	128.8010	0.000	1	128.8010	0.000	1	128.8010	0.000	1	127.4315	3.751	2	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[3x6]	N[5]	4:4:2:	3:3:4:1:	3:3:	C[5,5,6]-4:C[3x6]-4:N[5]-2:	N[4x6]-3:C[5,6]-3:C[6,6]-4:H-1:	C[5,6]-3:C[5,6a]-3:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[3x6]C[6,6]N[4x6]H)(N[5]C[5,6a])	C[3x6](N[4x6]C[5,3x6]C[6,6])(C[5,6]C[5,5,6]N[5])(C[6,6]C[3x6]HH)(H)	N[5](C[5,6]C[5,5,6]C[3x6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[3x6]C[6,6]N[4x6]H)(N[5]C[5,6a]){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[3x6](N[4x6]C[5,3x6]C[6,6])(C[5,6]C[5,5,6]N[5])(C[6,6]C[3x6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	N[5](C[5,6]C[5,5,6]C[3x6])(C[5,6a]C[5,6a]C[6a]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	125.4080	0.000	1	125.4080	0.000	1	125.4080	0.000	1	125.4080	0.000	1	125.4080	0.000	1	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6,6]	N[5]	4:3:2:	3:3:4:1:	3:3:	C[6,6]-4:C[5,6]-3:N[5]-2:	C[5,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-3:	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a])	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6])	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	122.9240	0.000	1	122.9240	0.000	1	122.9240	0.000	1	122.9240	0.000	1	123.6368	1.030	15	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6,6]	N[5]	4:3:2:	3:3:4:4:	3:3:	C[6,6]-4:C[5,6]-3:N[5]-2:	C[5,6]-3:N[6,6]-3:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-3:	C[5,6](C[6,6]N[6,6]C[6]C)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a])	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6])	C[5,6](C[6,6]N[6,6]C[6]C)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6]){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	124.9430	0.000	1	124.9430	0.000	1	124.9430	0.000	1	124.9430	0.000	1	123.6368	1.030	15	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6,6]	N[5]	4:4:2:	3:3:4:4:	3:3:	C[5,6]-4:C[6,6]-4:N[5]-2:	C[5,6]-3:C[6,6]-3:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(N[5]C[5,6a])	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6,6]C)(C[6]N[6]HH)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(N[5]C[5,6a]){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6,6]C)(C[6]N[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6]){1|H<1>,3|C<3>,4|C<4>}	123.2066	0.591	5	123.2066	0.350	5	123.1608	0.292	6	123.1608	0.292	6	123.6368	1.030	15	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6,6]	N[5]	4:4:2:	3:3:4:4:	3:3:	C[5,6]-4:C[6,6]-4:N[5]-2:	C[5,6]-3:C[6,6]-3:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(N[5]C[5,6a])	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(N[5]C[5,6a]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3){1|Cl<1>,2|C<3>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6]){1|H<1>,3|C<3>,4|C<4>}	122.9320	0.000	1	122.9320	0.000	1	123.1608	0.292	6	123.1608	0.292	6	123.6368	1.030	15	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6,6]	N[5]	4:4:2:	3:4:2:1:	3:2:	C[6,6]-4:C[5,6]-4:N[5]-2:	C[5,6]-3:C[6,6]-4:O[6]-2:H-1:	C[5,6]-3:O[5]-2:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(N[5]O[5])	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	N[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(N[5]O[5]){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|H<1>,3|O<2>,4|C<4>}	N[5](C[5,6]C[5,6]C[6,6])(O[5]C[5]){1|O<2>,2|C<4>,4|H<1>}	125.1600	0.000	1	125.1600	0.000	1	125.1600	0.000	1	125.1600	0.000	1	123.6368	1.030	15	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6,6]	N[5]	4:4:2:	3:4:2:1:	3:3:	C[5,3x6]-4:C[6,6]-4:N[5]-2:	C[5,6]-3:C[6,6]-4:N[6]-2:H-1:	C[5,6]-3:C[5,6a]-3:	C[5,6](C[5,3x6]C[5,6a]C[4x6]C[6,6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a])	C[6,6](C[5,6]C[5,3x6]N[5])(C[6,6]C[4x6]HH)(N[6]C[6])(H)	N[5](C[5,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,3x6]C[5,6a]C[4x6]C[6,6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]){2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,3x6]N[5])(C[6,6]C[4x6]HH)(N[6]C[6])(H){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	122.4020	0.000	1	122.4020	0.000	1	122.4020	0.000	1	123.9450	2.093	3	123.6368	1.030	15	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6,6]	N[5]	4:4:2:	3:4:2:1:	3:3:	C[5,6,6]-4:C[6,6]-4:N[5]-2:	C[5,6]-3:C[6,6]-4:O[6]-2:H-1:	C[5,6]-3:C[5,6a]-3:	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]O[6]H)(N[5]C[5,6a])	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[3x6]HH)(O[6]C[6])(H)	N[5](C[5,6]C[5,6,6]C[6,6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]O[6]H)(N[5]C[5,6a]){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[3x6]HH)(O[6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6]C[5,6,6]C[6,6])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	124.7165	0.784	2	124.7165	0.615	2	124.7165	0.615	2	123.9450	2.093	3	123.6368	1.030	15	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6,6]	N[5]	4:4:2:	3:4:3:1:	3:3:	C[5,6,6]-4:C[6,6]-4:N[5]-2:	C[5,6]-3:C[6,6]-4:N[6]-3:H-1:	C[5,6]-3:C[5,6a]-3:	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a])	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	N[5](C[5,6]C[5,6,6]C[6,6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]){3|C<4>,4|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6]C[5,6,6]C[6,6])(C[5,6a]C[5,6a]C[6a]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	122.6670	0.000	1	122.6670	0.000	1	122.6670	0.000	1	122.6670	0.000	1	123.6368	1.030	15	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6,6]	N[5]	4:4:2:	3:4:4:1:	3:4:	C[6,6]-4:C[5,6]-4:N[5]-2:	C[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[5,6]-3:S[5]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(N[5]S[5])	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	N[5](C[5,6]C[5,6]C[6,6])(S[5]O[5]OO)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(N[5]S[5]){2|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,6|H<1>}	N[5](C[5,6]C[5,6]C[6,6])(S[5]O[5]OO){2|H<1>,3|C<4>}	124.8500	0.000	1	124.8500	0.000	1	124.8500	0.000	1	124.8500	0.000	1	123.6368	1.030	15	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6,6]	N[5]	4:4:2:	4:3:3:1:	3:2:	C[6,6]-4:C[5,6]-4:N[5]-2:	C[5,6]-4:C[5,6]-3:N[6,6]-3:H-1:	C[5,6]-3:O[5]-2:	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[5]C[6]C)(N[5]O[5])	C[6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(H)	N[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(H){2|O<2>,5|C<4>,5|H<1>}	N[5](C[5,6]C[5,6]C[6,6])(O[5]C[5]){1|N<3>,3|C<4>,3|H<1>}	123.2080	0.000	1	123.2080	0.000	1	123.2080	0.000	1	123.2080	0.000	1	123.6368	1.030	15	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5,6]-3:N[5]-2:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){2|C<3>,2|C<4>,3|H<1>}	123.5420	0.000	1	123.5420	0.000	1	124.3810	1.408	2	124.3810	1.408	2	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5,6]-3:N[5]-2:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<4>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){2|C<3>,2|C<4>,3|H<1>}	125.2200	0.000	1	125.2200	0.000	1	124.3810	1.408	2	124.3810	1.408	2	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:4:2:	3:2:1:1:	3:3:	N[5,6]-3:C[6]-4:N[5]-2:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6]-3:N[5]-3:	C[5,6](N[5,6]C[5,6,6]C[5])(C[6]O[6]HH)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6,6])(H)2	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])	C[5,6](N[5,6]C[5,6,6]C[5])(C[6]O[6]HH)(N[5]N[5]){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6,6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	129.2830	0.000	1	129.2830	0.000	1	127.5479	0.915	7	127.5479	0.915	7	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:4:2:	3:2:1:1:	3:3:	N[5,6]-3:C[6]-4:N[5]-2:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6]-3:N[5]-3:	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6])(H)2	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	126.8193	0.397	3	126.9077	0.136	4	127.5479	0.915	7	127.5479	0.915	7	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:4:2:	3:2:1:1:	3:3:	N[5,6]-3:C[6]-4:N[5]-2:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6]-3:N[5]-3:	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6])(H)2	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5]){1|Se<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5]){1|Se<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	127.1730	0.000	1	126.9077	0.136	4	127.5479	0.915	7	127.5479	0.915	7	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:4:2:	3:2:1:1:	3:3:	N[5,6]-3:C[6]-4:N[5]-2:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6]-3:N[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[6]O[6]HH)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(O[6]C[6])(H)2	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])	C[5,6](N[5,6]C[5]C[6])(C[6]O[6]HH)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	127.9605	0.306	2	127.9605	0.094	2	127.5479	0.915	7	127.5479	0.915	7	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:4:2:	3:3:1:1:	3:3:	N[5,6]-3:C[6]-4:N[5]-2:	C[5,6]-3:N[6]-3:H-1:H-1:	C[5,6]-3:N[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]S)(H)2	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(N[5]N[5]){1|C<4>,1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	123.8080	1.061	2	123.8080	1.125	2	123.8080	1.125	2	123.8080	1.125	2	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:4:2:	3:3:3:1:	3:3:	C[5,6]-3:C[6]-4:N[5]-2:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(N[5]C[5,6a])	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(N[5]C[5,6a]){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.5780	0.000	1	123.5780	0.000	1	123.5780	0.000	1	123.5780	0.000	1	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:4:2:	3:3:4:4:	3:4:	N[5,6]-3:C[6]-4:N[5]-2:	C[5,6]-3:N[6]-3:C-4:C-4:	C[5,6]-3:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]CC)(N[5]C[5])	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)(CH3)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]CC)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]CC)(N[5]C[5]){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)(CH3)2{1|C<3>,1|O<1>,2|C<4>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]CC){1|N<3>,1|O<1>,3|C<4>}	123.4520	0.000	1	123.4520	0.000	1	123.4520	0.000	1	123.4520	0.000	1	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:4:2:	3:4:1:1:	3:3:	N[5,6]-3:C[6]-4:N[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]HH)(N[5]C[5])	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]HH)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]C)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]HH)(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]HH)(H)2{4|C<3>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	127.8100	0.000	1	127.8100	0.000	1	127.8100	0.000	1	127.8100	0.000	1	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	3:4:2:	3:4:4:1:	3:2:	C[5,6]-3:C[6]-4:N[5]-2:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:N[5]-2:	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]CH)(N[5]N[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]CH)(H)	N[5](C[5,6]C[5,6]C[6])(N[5]Se[5])	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]CH)(N[5]N[5]){1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]CH)(H){1|Se<2>,1|C<4>,1|N<2>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(N[5]Se[5]){1|H<1>,3|C<4>}	120.5570	0.042	2	120.5570	0.002	2	120.5570	0.002	2	120.5570	0.002	2	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	4:2:4:	3:3:4:4:	3:3:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6]-3:N[6]-3:C-4:C-4:	C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]N[6]CC)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]C)(CCHH)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]N[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]C)(CCHH)(CH3){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	124.2050	0.000	1	124.2050	0.000	1	124.2050	0.000	1	124.2050	0.000	1	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	4:2:4:	3:4:1:1:	3:3:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]N[6]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a])(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	126.1200	0.000	1	126.1200	0.000	1	125.4922	0.753	6	125.4922	0.753	6	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	4:2:4:	3:4:1:1:	3:3:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6]HH)(H)2{3|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){2|C<3>,3|C<4>,3|H<1>}	125.4270	0.000	1	125.4270	0.000	1	125.4922	0.753	6	125.4922	0.753	6	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	4:2:4:	3:4:1:1:	3:3:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){2|C<3>,3|C<4>,3|H<1>}	125.0220	0.000	1	125.0220	0.000	1	125.4922	0.753	6	125.4922	0.753	6	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	4:2:4:	3:4:1:1:	3:3:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){2|C<3>,3|C<4>,3|H<1>}	124.7380	0.031	2	124.7380	0.001	2	125.4922	0.753	6	125.4922	0.753	6	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	4:2:4:	3:4:1:1:	3:3:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	126.9080	0.000	1	126.9080	0.000	1	125.4922	0.753	6	125.4922	0.753	6	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:	3:3:4:4:	3:2:	C[5,6,6]-4:C[6]-4:N[5]-2:	C[5,6]-3:C[6]-3:C-4:C-4:	C[5,6]-3:O[5]-2:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(N[5]O[5])	C[6](C[5,6]C[5,6,6]N[5])(C[6]C[6]H)(CH3)2	N[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(N[5]O[5]){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6,6]N[5])(C[6]C[6]H)(CH3)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6]){2|C<4>,2|H<1>,3|C<3>}	125.0570	0.000	1	125.0570	0.000	1	125.0570	0.000	1	125.0570	0.000	1	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:	3:4:1:1:	3:2:	C[5,5,6]-4:C[6]-4:N[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:O[5]-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(N[5]O[5])	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2	N[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(N[5]O[5]){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5]){1|O<2>,2|H<1>,4|C<4>}	122.3170	0.044	2	122.7050	0.453	3	122.7050	0.453	3	123.3132	1.014	5	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:	3:4:1:1:	3:2:	C[5,5,6]-4:C[6]-4:N[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:O[5]-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(N[5]O[5])	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2	N[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(N[5]O[5]){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	N[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5]){3|H<1>,4|C<4>}	123.4810	0.000	1	122.7050	0.453	3	122.7050	0.453	3	123.3132	1.014	5	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:	3:4:1:1:	3:2:	C[5,6,6]-4:C[6]-4:N[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:O[5]-2:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(N[5]O[5])	C[6](C[5,6]C[5,6,6]N[5])(C[6]C[6]HH)(H)2	N[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(N[5]O[5]){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]N[5])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6]){1|C<3>,3|C<4>,3|H<1>}	123.7920	0.000	1	123.7920	0.000	1	123.7920	0.000	1	123.3132	1.014	5	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:	3:4:1:1:	3:2:	C[5,6]-4:C[6]-4:N[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:O[5]-2:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(N[5]O[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(O[5]C[5])	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(N[5]O[5]){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>}	N[5](C[5,6]C[5,6]C[6])(O[5]C[5]){3|C<4>,4|H<1>}	124.6590	0.000	1	124.6590	0.000	1	124.6590	0.000	1	123.3132	1.014	5	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:	3:4:1:1:	3:3:	C[5,6]-4:C[6]-4:N[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]2)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5]){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]2){1|N<2>,1|S<2>,3|H<1>,4|C<4>}	123.3775	0.408	2	123.3775	0.166	2	123.9970	0.189	8	123.9970	0.189	8	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:	3:4:1:1:	3:3:	C[5,6]-4:C[6]-4:N[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5]){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]C){3|H<1>,4|C<4>}	124.4400	0.000	1	124.4400	0.000	1	123.9970	0.189	8	123.9970	0.189	8	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:	3:4:1:1:	3:3:	C[5,6]-4:C[6]-4:N[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2	N[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5]){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<4>}	N[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5]){2|C<3>,3|H<1>,4|C<4>}	124.1515	0.144	4	124.1515	0.021	4	123.9970	0.189	8	123.9970	0.189	8	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:	3:4:1:1:	3:3:	C[5,6]-4:C[6]-4:N[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:	C[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(N[5]N[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[5a,6]CH)(H)2	N[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])	C[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(N[5]N[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[5a,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	124.1750	0.000	1	124.1750	0.000	1	123.9970	0.189	8	123.9970	0.189	8	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:	3:4:1:1:	3:4:	C[5,5,6]-4:C[6]-4:N[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(N[5]C[5])	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H)2	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]ClC)	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(N[5]C[5]){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]ClC){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	124.8160	0.000	1	124.8160	0.000	1	124.8160	0.000	1	125.6155	1.278	2	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:	3:4:1:1:	3:4:	C[5,6]-4:C[6]-4:N[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]CW)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]){1|O<2>,1|W<7>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2{3|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]CW){2|C<4>,4|H<1>}	126.4150	0.000	1	126.4150	0.000	1	126.4150	0.000	1	125.6155	1.278	2	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:	4:3:3:2:	3:3:	C[5,5,6]-4:C[6]-4:N[5]-2:	C[6,6]-4:C[5,6]-3:C-3:O-2:	C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]CO)(N[5]C[5,6a])	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]N[5])(COO)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]CO)(N[5]C[5,6a]){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]N[5])(COO)(OH){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	120.1090	0.000	1	120.1090	0.000	1	120.1090	0.000	1	120.1090	0.000	1	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:	4:3:4:4:	3:3:	C[5,6]-4:C[6]-4:N[5]-2:	C[3x6]-4:C[5,6]-3:C-4:C-4:	C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[3x6]CC)(N[5]C[5,6a])	C[6](C[3x6]C[4x6]C[6,6]H)(C[5,6]C[5,6]N[5])(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[3x6]CC)(N[5]C[5,6a]){2|C<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[5,6]C[5,6]N[5])(CH3)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	124.1900	0.000	1	124.1900	0.000	1	124.1900	0.000	1	124.1900	0.000	1	124.6696	4.113	41	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5]	C[3x6]	N[5]	4:2:2:	4:4:4:3:	3:2:	C[3x6]-4:N[5]-2:P[5]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:N[5]-2:	C[5](C[3x6]C[6,6]3)(N[5]N[5])(P[5]N[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]P[5])	N[5](C[5]C[3x6]P[5])(N[5]N[5])	C[5](C[3x6]C[6,6]3)(N[5]N[5])(P[5]N[5]){3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]P[5]){2|N<2>,3|C<4>,3|H<1>}	N[5](C[5]C[3x6]P[5])(N[5]N[5]){3|C<4>}	119.1960	0.000	1	119.1960	0.000	1	119.1960	0.000	1	119.1960	0.000	1	123.6358	7.003	22	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5]	C[3x6]	N[5]	4:2:2:	4:4:4:3:	3:3:	C[3x6]-4:N[5]-2:O[5]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[3x6]C[6,6]3)(N[5]N[5])(O[5]C[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]O[5])	N[5](C[5]C[3x6]O[5])(N[5]C[5]C)	C[5](C[3x6]C[6,6]3)(N[5]N[5])(O[5]C[5]){1|S<1>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]O[5]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	N[5](C[5]C[3x6]O[5])(N[5]C[5]C){1|S<1>,3|C<4>}	129.0110	0.464	3	129.0110	0.215	3	129.0110	0.215	3	129.0110	0.215	3	123.6358	7.003	22	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5]	C[3x6]	N[5]	4:2:2:	4:4:4:3:	4:3:	C[3x6]-4:N[5]-2:O[5]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[3x6]C[6,6]3)(N[5]C[5])(O[5]C[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]O[5])	N[5](C[5]C[6a]C[5]C)(C[5]C[3x6]O[5])	C[5](C[3x6]C[6,6]3)(N[5]C[5])(O[5]C[5]){1|C<3>,4|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]O[5]){3|H<1>,5|C<4>}	N[5](C[5]C[6a]C[5]C)(C[5]C[3x6]O[5]){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	127.8750	0.000	1	127.8750	0.000	1	127.8750	0.000	1	127.8750	0.000	1	123.6358	7.003	22	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5]	C[3x6]	N[5]	4:3:2:	4:4:4:3:	3:3:	C[3x6]-4:N[5]-3:N[5]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2)	N[5](C[5]C[3x6]N[5])(N[5]C[5]C)	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5]){1|S<1>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	N[5](C[5]C[3x6]N[5])(N[5]C[5]C){1|S<1>,4|C<4>}	122.3106	0.390	5	122.3106	0.152	5	122.6991	0.459	17	122.6991	0.459	17	123.6358	7.003	22	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5]	C[3x6]	N[5]	4:3:2:	4:4:4:3:	3:3:	C[3x6]-4:N[5]-3:N[5]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2)	N[5](C[5]C[3x6]N[5])(N[5]C[5]H)	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5]){1|S<1>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	N[5](C[5]C[3x6]N[5])(N[5]C[5]H){1|S<1>,4|C<4>}	122.1827	0.403	3	122.1827	0.162	3	122.6991	0.459	17	122.6991	0.459	17	123.6358	7.003	22	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5]	C[3x6]	N[5]	4:3:2:	4:4:4:3:	3:3:	C[3x6]-4:N[5]-3:N[5]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[3x6]C[6,6]3)(N[5]C[5]N)(N[5]N[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2)	N[5](C[5]C[3x6]N[5])(N[5]C[5]C)	C[5](C[3x6]C[6,6]3)(N[5]C[5]N)(N[5]N[5]){1|S<1>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2){1|C<3>,1|N<2>,1|N<3>,3|C<4>,3|H<1>}	N[5](C[5]C[3x6]N[5])(N[5]C[5]C){1|N<2>,1|S<1>,3|C<4>}	123.6813	0.372	3	123.6813	0.138	3	122.6991	0.459	17	122.6991	0.459	17	123.6358	7.003	22	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5]	C[3x6]	N[5]	4:3:2:	4:4:4:3:	3:3:	C[3x6]-4:N[5]-3:N[5]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[3x6]C[6,6]3)(N[5]C[6a]C[5])(N[5]N[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2)	N[5](C[5]C[3x6]N[5])(N[5]C[5]C)	C[5](C[3x6]C[6,6]3)(N[5]C[6a]C[5])(N[5]N[5]){1|S<1>,2|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[3x6]N[5])(N[5]C[5]C){1|C<3>,1|S<1>,3|C<4>}	122.6035	0.407	4	122.6035	0.166	4	122.6991	0.459	17	122.6991	0.459	17	123.6358	7.003	22	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5]	C[3x6]	N[5]	4:3:2:	4:4:4:3:	3:3:	C[3x6]-4:N[5]-3:N[5]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[3x6]C[6,6]3)(N[5]C[6a]C[5])(N[5]N[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2)	N[5](C[5]C[3x6]N[5])(N[5]C[5]H)	C[5](C[3x6]C[6,6]3)(N[5]C[6a]C[5])(N[5]N[5]){1|S<1>,2|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[3x6]N[5])(N[5]C[5]H){1|C<3>,1|S<1>,3|C<4>}	123.1625	0.851	2	123.1625	0.724	2	122.6991	0.459	17	122.6991	0.459	17	123.6358	7.003	22	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5]	C[6]	N[5]	3:4:2:	3:4:4:1:	3:4:	C[5,6a]-3:C[6]-4:N[5]-2:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5]-3:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(N[5]S[5])	C[6](C[5]C[5,6a]N[5])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)	N[5](C[5]C[5,6a]C[6])(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(N[5]S[5]){1|O<2>,2|H<1>,2|O<1>,3|C<3>,3|C<4>}	C[6](C[5]C[5,6a]N[5])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6])(S[5]C[5,6a]OO){1|H<1>,2|C<3>,2|C<4>}	120.3720	0.000	1	120.3720	0.000	1	120.3720	0.000	1	120.3720	0.000	1	122.2045	5.547	12	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5]	C[6]	N[5]	4:2:2:	3:3:3:4:	3:4:	C[6]-4:N[5]-2:O[5]-2:	C[6,6a]-3:C[5]-3:C[6a]-3:C[6]-4:	C[5]-3:C[5]-4:	C[5](C[6]C[6,6a]C[6a]C[6])(N[5]C[5])(O[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)	N[5](C[5]C[6]O[5])(C[5]C[5]CC)	C[5](C[6]C[6,6a]C[6a]C[6])(N[5]C[5])(O[5]C[5]){3|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH){3|C<4>,4|C<3>,5|H<1>}	N[5](C[5]C[6]O[5])(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	126.2940	0.000	1	126.2940	0.000	1	126.2940	0.000	1	126.2940	0.000	1	122.2045	5.547	12	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5]	C[6]	N[5]	4:2:2:	4:3:3:1:	4:3:	C[6]-4:N[5]-2:O[5]-2:	C[6]-4:C[5]-3:N[6]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6]N[6]H)(N[5]C[5])(O[5]C[5])	C[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(N[6]C[6]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6]O[5])	C[5](C[6]C[6]N[6]H)(N[5]C[5])(O[5]C[5]){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(N[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6]O[5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	126.5810	0.000	1	126.5810	0.000	1	126.5810	0.000	1	126.5810	0.000	1	122.2045	5.547	12	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5]	C[6]	N[5]	4:2:4:	4:4:3:1:	3:3:	C[5]-4:N[5]-2:C[6]-4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(C[6]C[6]2H)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(C[6]C[6]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5])(H){1|H<1>,3|C<4>,8|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]){2|C<3>,2|H<1>,4|C<4>}	121.4417	2.128	3	121.4417	4.526	3	121.4417	4.526	3	121.4417	4.526	3	122.2045	5.547	12	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5]	C[6]	N[5]	4:3:2:	2:4:3:2:	3:4:	C[6]-4:N[5]-3:N[5]-2:	O[6]-2:C[6]-4:C[5]-3:O-2:	C[5]-3:C[5]-4:	C[5](C[6]C[6]O[6]O)(N[5]C[5]H)(N[5]C[5])	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(OC)	N[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]O[6]O)(N[5]C[5]H)(N[5]C[5]){1|C<3>,1|O<2>,6|H<1>}	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(OC){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH){1|C<4>,2|O<2>,3|H<1>}	123.3860	0.000	1	123.3860	0.000	1	123.3860	0.000	1	123.3860	0.000	1	122.2045	5.547	12	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5]	C[6]	N[5]	4:3:2:	3:3:4:4:	3:3:	C[6]-4:C[5]-3:N[5]-2:	C[5a]-3:C[5]-3:C[6]-4:C[6]-4:	C[5]-3:C[5]-3:	C[5](C[6]C[5a]C[6]2)(C[5]C[5]H)(N[5]C[5])	C[6](C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]HH)2	N[5](C[5]C[5]C[6])(C[5]C[5]C)	C[5](C[6]C[5a]C[6]2)(C[5]C[5]H)(N[5]C[5]){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]HH)2{1|C<4>,4|C<3>,7|H<1>}	N[5](C[5]C[5]C[6])(C[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	120.8100	0.000	1	120.8100	0.000	1	120.8100	0.000	1	120.8100	0.000	1	122.2045	5.547	12	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5]	C[6]	N[5]	4:3:2:	4:3:3:2:	3:3:	C[6]-4:C[5]-3:N[5]-2:	C[6]-4:C[5]-3:C[6]-3:C-2:	C[5]-3:C[5]-3:	C[5](C[6]C[6]2C)(C[5]C[5]H)(N[5]C[5])	C[6](C[6]C[5]C[6]C)(C[5]C[5]N[5])(C[6]C[6]O)(CN)	N[5](C[5]C[5]C[6])(C[5]C[5]C)	C[5](C[6]C[6]2C)(C[5]C[5]H)(N[5]C[5]){1|C<2>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[5]C[6]C)(C[5]C[5]N[5])(C[6]C[6]O)(CN){1|Cl<1>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[5](C[5]C[5]C[6])(C[5]C[5]C){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	120.5105	0.094	2	120.5105	0.009	2	120.5105	0.009	2	120.5105	0.009	2	122.2045	5.547	12	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5]	C[6]	N[5]	4:4:2:	3:4:4:4:	3:4:	C[5]-4:C[6]-4:N[5]-2:	C[5]-3:C[6]-4:C[6]-4:C-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(C[6]C[6]2C)(N[5]C[5])	C[6](C[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HO)(CCHH)	N[5](C[5]C[5]C[6])(C[5]C[5]HH)	C[5](C[5]C[5]HH)(C[6]C[6]2C)(N[5]C[5]){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HO)(CCHH){1|O<2>,3|C<4>,5|H<1>}	N[5](C[5]C[5]C[6])(C[5]C[5]HH){3|C<4>,4|H<1>}	122.7330	0.000	1	122.7330	0.000	1	122.7330	0.000	1	122.7330	0.000	1	122.2045	5.547	12	124.2550	5.712	100
818	466	960	0:SP2_SP2_SP3	C[5]	C[6]	N[5]	4:4:2:	4:4:3:1:	3:3:	C[6]-4:C[5]-4:N[5]-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]CC)(N[5]C[5,6a])	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]CC)(N[5]C[5,6a]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5]N[5])(H){2|H<1>,4|C<3>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]){2|C<3>,2|H<1>,4|C<4>}	120.9320	0.000	1	120.9320	0.000	1	120.9320	0.000	1	120.9320	0.000	1	122.2045	5.547	12	124.2550	5.712	100
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:3:2:	3:3:4:3:	3:4:	C[6,6]-4:C[5,6]-3:O[5]-2:	C[5,6]-3:C[6,6]-3:C[6]-4:C-3:	C[5,6]-3:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(O[5]C[5])	C[6,6](C[5,6]C[5,6]O[5])(C[6,6]C[6,6]O)(C[6]C[6]CC)(CCO)	O[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]CH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(O[5]C[5]){2|O<1>,3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5])(C[6,6]C[6,6]O)(C[6]C[6]CC)(CCO){1|C<3>,1|H<1>,5|C<4>}	O[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]CH){1|C<4>,2|H<1>,3|C<3>}	118.3837	0.894	3	118.3837	0.800	3	118.3837	0.800	3	118.3837	0.800	3	118.3837	0.800	3	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:2:4:	3:4:1:1:	3:3:	N[5,6]-3:O[5]-2:C[6]-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){2|C<3>,2|C<4>,3|H<1>}	121.8568	1.472	4	121.8568	2.167	4	121.8568	2.167	4	121.8568	2.167	4	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:3:1:1:	3:2:	C[5,6]-3:C[6]-4:O[5]-2:	C[6,6]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(O[5]C[5])	C[6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]O[5])(H)2	O[5](C[5,6]C[5,6]C[6])(C[5]O[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]O[5])(H)2{1|C<2>,1|O<2>,5|C<4>}	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]){1|C<3>,1|C<4>,2|H<1>}	128.6280	0.000	1	128.6280	0.000	1	128.3610	0.143	2	128.3610	0.143	2	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:3:1:1:	3:2:	C[5,6]-3:C[6]-4:O[5]-2:	C[6,6]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(O[5]C[5])	C[6](C[6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5])(H)2	O[5](C[5,6]C[5,6]C[6])(C[5]O[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5])(H)2{1|C<2>,1|H<1>,2|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]){1|C<3>,1|C<4>,2|H<1>}	128.0940	0.000	1	128.0940	0.000	1	128.3610	0.143	2	128.3610	0.143	2	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:3:1:1:	3:4:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[6]P[5])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(H)2	O[5](C[5,6]C[5,6]C[6])(C[5]P[5]CH)	C[5,6](C[5,6]C[6]P[5])(C[6]C[6]HH)(O[5]C[5]){1|Pd<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|P<4>}	O[5](C[5,6]C[5,6]C[6])(C[5]P[5]CH){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	117.3260	0.000	1	117.3260	0.000	1	117.3260	0.000	1	117.5283	0.106	3	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:3:1:1:	3:4:	N[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:Si[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]HH)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(N[5,6]C[5,6]C[5])(H)2	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CC)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]HH)(O[5]Si[5]){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]O[5])(N[5,6]C[5,6]C[5])(H)2{2|Si<4>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CC){1|C<4>,1|N<3>,4|H<1>}	117.6295	0.387	2	117.6295	0.150	2	117.6295	0.150	2	117.5283	0.106	3	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	3:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2{2|H<1>,3|C<3>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	120.0460	0.049	2	120.0460	0.002	2	119.4211	1.507	7	119.4211	1.507	7	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	3:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.0410	0.000	1	120.0410	0.000	1	119.4211	1.507	7	119.4211	1.507	7	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	3:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]N){1|C<4>,2|C<3>,3|H<1>}	118.3640	0.000	1	118.1745	0.072	2	119.4211	1.507	7	119.4211	1.507	7	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	3:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]N){2|C<3>,2|C<4>,2|H<1>}	117.9850	0.000	1	118.1745	0.072	2	119.4211	1.507	7	119.4211	1.507	7	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	3:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	O[5](C[5,6]C[5,6]C[6])(C[5]N[5]N)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5]){1|N<2>,1|O<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|N<3>,2|C<3>,2|H<1>}	O[5](C[5,6]C[5,6]C[6])(C[5]N[5]N){1|C<3>,2|C<4>,2|H<1>}	121.2330	0.000	1	121.2330	0.000	1	119.4211	1.507	7	119.4211	1.507	7	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	3:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2	O[5](C[5,6]C[5,6]C[6])(C[5]S[5]N)	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(O[5]C[5]){1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2{1|S<2>,2|C<3>,2|H<1>}	O[5](C[5,6]C[5,6]C[6])(C[5]S[5]N){1|C<3>,1|C<4>,2|H<1>}	118.2330	0.000	1	118.2330	0.000	1	119.4211	1.507	7	119.4211	1.507	7	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	3:4:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5]){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	117.3700	0.000	1	117.3700	0.000	1	117.3700	0.000	1	118.7943	0.860	22	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	3:4:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,6])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	O[5](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,6]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	118.2000	0.000	1	118.2000	0.000	1	118.2380	0.003	2	118.7943	0.860	22	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	3:4:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,6])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6])(C[5,6]C[5]S[6]2)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,6]){1|C<4>,1|O<1>,2|S<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6])(C[5,6]C[5]S[6]2){1|O<1>,2|H<1>,4|C<4>}	118.2760	0.000	1	118.2760	0.000	1	118.2380	0.003	2	118.7943	0.860	22	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	3:4:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<2>,1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC){1|C<4>,2|C<3>,3|H<1>}	118.5490	0.000	1	118.5490	0.000	1	118.6132	0.248	16	118.7943	0.860	22	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	3:4:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	118.0710	0.796	2	118.0710	0.634	2	118.6132	0.248	16	118.7943	0.860	22	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	3:4:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.3800	0.000	1	118.3800	0.000	1	118.6132	0.248	16	118.7943	0.860	22	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	3:4:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HN)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HN){1|C<4>,2|C<3>,3|H<1>}	118.4275	0.127	2	118.4275	0.016	2	118.6132	0.248	16	118.7943	0.860	22	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	3:4:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	O[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H){1|C<4>,3|H<1>,4|C<3>}	119.0630	0.000	2	119.0630	0.000	2	118.6132	0.248	16	118.7943	0.860	22	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	3:4:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.7360	0.000	1	118.7840	0.428	5	118.6132	0.248	16	118.7943	0.860	22	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	3:4:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	118.2840	0.010	2	118.7840	0.428	5	118.6132	0.248	16	118.7943	0.860	22	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	3:4:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH){1|C<3>,1|C<4>,4|H<1>}	118.8080	0.550	2	118.7840	0.428	5	118.6132	0.248	16	118.7943	0.860	22	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	3:4:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HN)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HN){1|C<4>,2|C<3>,3|H<1>}	118.4930	0.061	2	118.4930	0.004	2	118.6132	0.248	16	118.7943	0.860	22	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	3:4:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6])(C[5]C[6a]2C[5])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[6a]2C[5]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	118.8540	0.000	1	118.8540	0.000	1	118.6132	0.248	16	118.7943	0.860	22	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	3:4:	N[5,6,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]N[5,6,6]O[5])(C[6]C[5,6]HH)(H)2	O[5](C[5,6]N[5,6,6]C[6])(C[5]C[5,6]HH)	C[5,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6,6]O[5])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	O[5](C[5,6]N[5,6,6]C[6])(C[5]C[5,6]HH){3|C<4>,3|H<1>}	121.5450	0.000	1	121.5450	0.000	1	121.5450	0.000	1	118.7943	0.860	22	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	3:4:	N[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:Si[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CC)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5]){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CC){1|C<3>,1|C<4>,4|H<1>}	120.1360	0.000	2	120.1360	0.000	2	120.1360	0.000	2	118.7943	0.860	22	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	3:5:	N[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:Si[5]-5:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCO)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5]){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{1|Si<5>,1|C<3>,1|C<4>,2|H<1>}	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCO){1|C<3>,1|C<4>,4|H<1>}	120.6545	0.620	2	120.6545	0.385	2	120.7997	0.256	3	120.7997	0.256	3	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	3:5:	N[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:Si[5]-5:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]F3)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5]){1|C<4>,1|O<1>,3|F<1>,4|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{1|Si<5>,1|C<3>,1|C<4>,2|H<1>}	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]F3){1|C<3>,1|C<4>,4|H<1>}	121.0900	0.000	1	121.0900	0.000	1	120.7997	0.256	3	120.7997	0.256	3	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|H<1>,1|N<3>,1|O<1>,5|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]C[6]){2|C<3>,3|C<4>,3|H<1>}	118.9270	0.098	2	118.9218	0.023	4	118.7962	0.046	10	118.7962	0.046	10	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|H<1>,1|N<3>,1|O<1>,5|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	118.9165	0.241	2	118.9218	0.023	4	118.7962	0.046	10	118.7962	0.046	10	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]){2|C<3>,2|C<4>,3|H<1>}	118.7380	0.000	1	118.7380	0.000	1	118.7962	0.046	10	118.7962	0.046	10	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,5]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[6]){1|C<4>,1|O<2>,2|N<3>,3|C<3>,4|H<1>}	118.8020	0.000	1	118.8020	0.000	1	118.7962	0.046	10	118.7962	0.046	10	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:1:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	O[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	118.6838	0.278	4	118.6838	0.078	4	118.7962	0.046	10	118.7962	0.046	10	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:4:3:	3:3:	C[5,6,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:C-4:C-3:	C[5,6]-3:C[5]-3:	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[6]C[6]CC)(O[5]C[5])	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CH3)(COO)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]O)	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CH3)(COO){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]O){2|C<3>,4|C<4>}	116.8810	0.000	1	116.8810	0.000	1	116.8810	0.000	1	116.8810	0.000	1	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	3:4:4:4:	3:4:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6a]N[6]H)(CCHH)2	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6a]N[6]H)(CCHH)2{2|C<4>,4|C<3>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH){1|C<3>,2|H<1>,3|C<4>}	119.3820	0.000	1	119.3820	0.000	1	119.3820	0.000	1	119.3820	0.000	1	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:	4:3:1:1:	3:4:	C[5,6,6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]O[5])(H)2	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(O[5]C[5]){3|H<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]O[5])(H)2{2|H<1>,6|C<4>}	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH){2|H<1>,4|C<4>}	119.0380	0.000	1	119.0380	0.000	1	119.0380	0.000	1	119.0380	0.000	1	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:	3:3:4:1:	3:4:	C[6]-4:C[5,6]-3:O[5]-2:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-4:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]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)(H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	118.2040	0.000	1	118.2040	0.000	1	118.2040	0.000	1	118.2040	0.000	1	119.4550	4.731	55	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5]	C[3x6]	O[5]	4:2:2:	4:4:4:3:	3:3:	C[3x6]-4:N[5]-2:O[5]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[3x6]C[6,6]3)(N[5]N[5])(O[5]C[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]O[5])	O[5](C[5]C[3x6]N[5])(C[5]N[5]S)	C[5](C[3x6]C[6,6]3)(N[5]N[5])(O[5]C[5]){1|S<1>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]O[5]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O[5](C[5]C[3x6]N[5])(C[5]N[5]S){4|C<4>}	118.5123	0.357	3	118.5123	0.128	3	118.5123	0.128	3	118.5123	0.128	3	117.4080	4.963	4	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5]	C[3x6]	O[5]	4:2:2:	4:4:4:3:	3:4:	C[3x6]-4:N[5]-2:O[5]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[3x6]C[6,6]3)(N[5]C[5])(O[5]C[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]O[5])	O[5](C[5]C[3x6]N[5])(C[5]C[5]HH)	C[5](C[3x6]C[6,6]3)(N[5]C[5])(O[5]C[5]){1|C<3>,4|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]O[5]){3|H<1>,5|C<4>}	O[5](C[5]C[3x6]N[5])(C[5]C[5]HH){1|C<3>,4|C<4>}	114.0950	0.000	1	114.0950	0.000	1	114.0950	0.000	1	114.0950	0.000	1	117.4080	4.963	4	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5]	C[6]	O[5]	4:2:2:	3:3:3:4:	3:4:	C[6]-4:N[5]-2:O[5]-2:	C[6,6a]-3:C[5]-3:C[6a]-3:C[6]-4:	C[5]-3:C[5]-4:	C[5](C[6]C[6,6a]C[6a]C[6])(N[5]C[5])(O[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6,6a]C[6a]C[6])(N[5]C[5])(O[5]C[5]){3|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH){3|C<4>,4|C<3>,5|H<1>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){2|C<3>,3|C<4>}	115.2530	0.000	1	115.2530	0.000	1	115.2530	0.000	1	115.2530	0.000	1	116.2283	4.875	4	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5]	C[6]	O[5]	4:2:2:	4:3:3:1:	3:4:	C[6]-4:N[5]-2:O[5]-2:	C[6]-4:C[5]-3:N[6]-3:H-1:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6]H)(N[5]C[5])(O[5]C[5])	C[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(N[6]C[6]H)(H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6]H)(N[5]C[5])(O[5]C[5]){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(N[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	114.6720	0.000	1	114.6720	0.000	1	114.6720	0.000	1	114.6720	0.000	1	116.2283	4.875	4	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5]	C[6]	O[5]	4:3:2:	3:4:4:1:	3:3:	C[6]-4:N[5]-3:O[5]-2:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5]-3:C[5]-3:	C[5](C[6]C[6]2H)(N[5]C[5]C)(O[5]C[5])	C[6](C[5]N[5]O[5])(C[6]C[6]HH)2(H)	O[5](C[5]C[6]N[5])(C[5]C[5]C)	C[5](C[6]C[6]2H)(N[5]C[5]C)(O[5]C[5]){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5]N[5]O[5])(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,4|H<1>}	O[5](C[5]C[6]N[5])(C[5]C[5]C){3|C<4>,3|H<1>}	119.5000	0.000	1	119.5000	0.000	1	119.5000	0.000	1	119.5000	0.000	1	116.2283	4.875	4	119.0867	5.223	66
818	466	976	0:SP2_SP2_SP3	C[5]	C[6]	O[5]	4:3:2:	4:3:4:1:	3:4:	C[6]-4:C[5]-3:O[5]-2:	C[6]-4:C[5]-3:C[6]-4:H-1:	C[5]-3:C[5]-4:	C[5](C[6]C[6]2H)(C[5]C[5]C)(O[5]C[5])	C[6](C[6]C[6,6a]CO)(C[5]C[5]O[5])(C[6]C[6]CH)(H)	O[5](C[5]C[5]C[6])(C[5]C[5]CC)	C[5](C[6]C[6]2H)(C[5]C[5]C)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6a]CO)(C[5]C[5]O[5])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|C<3>}	O[5](C[5]C[5]C[6])(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	115.4880	0.000	1	115.4880	0.000	1	115.4880	0.000	1	115.4880	0.000	1	116.2283	4.875	4	119.0867	5.223	66
818	466	987	0:SP2_SP-NON_SP3	C[5,6]	C[6]	P[5]	3:4:2:	3:4:1:1:	3:3:	C[5,6]-3:C[6]-4:P[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-3:	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5])	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	P[5](N[5,5]C[5,6]N[5,5])(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5]){1|C<3>,1|C<4>,1|P<2>,4|H<1>}	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	P[5](N[5,5]C[5,6]N[5,5])(C[5,6]C[5,6]C[6]){1|C<3>,1|P<2>,2|H<1>,3|C<4>}	126.2020	0.860	4	126.3458	0.658	5	126.3458	0.658	5	126.3458	0.658	5	126.3458	0.658	5	126.9107	2.441	6
818	466	987	0:SP2_SP-NON_SP3	C[5,6]	C[6]	P[5]	3:4:2:	3:4:1:1:	3:3:	C[5,6]-3:C[6]-4:P[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-3:	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5])	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	P[5](N[5,5]C[5,6]N[5,5])(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5]){1|C<3>,1|C<4>,1|P<3>,4|H<1>}	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	P[5](N[5,5]C[5,6]N[5,5])(C[5,6]C[5,6]C[6]){1|C<3>,1|P<3>,2|H<1>,3|C<4>}	126.9210	0.000	1	126.3458	0.658	5	126.3458	0.658	5	126.3458	0.658	5	126.3458	0.658	5	126.9107	2.441	6
818	466	987	0:SP2_SP-NON_SP3	C[5]	C[3x6]	P[5]	4:2:2:	4:4:4:3:	3:2:	C[3x6]-4:N[5]-2:P[5]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:N[5]-2:	C[5](C[3x6]C[6,6]3)(N[5]N[5])(P[5]N[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]P[5])	P[5](C[5]C[3x6]N[5])(N[5]N[5])	C[5](C[3x6]C[6,6]3)(N[5]N[5])(P[5]N[5]){3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]P[5]){2|N<2>,3|C<4>,3|H<1>}	P[5](C[5]C[3x6]N[5])(N[5]N[5]){3|C<4>}	129.7350	0.000	1	129.7350	0.000	1	129.7350	0.000	1	129.7350	0.000	1	129.7350	0.000	1	126.9107	2.441	6
818	466	996	0:SP2_SP3_SP3	C[5]	C[3x6]	Si[4,5]	4:4:3:	3:4:4:4:	3:3:3:3:	Si[4,5]-4:C[3x6]-4:P[5]-3:	C[5]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5]-3:N[5]-3:N[4]-3:N[4]-3:	C[5](Si[4,5]N[4]2N[5])(C[3x6]C[6,6]3)(P[5]Si[5]C)	C[3x6](C[5]Si[4,5]P[5])(C[6,6]C[3x6]HH)3	Si[4,5](C[5]C[3x6]P[5])(N[5]Si[5]Si)(N[4]C[4]C)2	C[5](Si[4,5]N[4]2N[5])(C[3x6]C[6,6]3)(P[5]Si[5]C){1|Si<4>,1|C<3>,6|H<1>,7|C<4>}	C[3x6](C[5]Si[4,5]P[5])(C[6,6]C[3x6]HH)3{1|Si<4>,3|H<1>,3|N<3>,4|C<4>}	Si[4,5](C[5]C[3x6]P[5])(N[5]Si[5]Si)(N[4]C[4]C)2{1|C<3>,6|C<4>}	130.4900	0.242	2	130.4900	0.058	2	130.4900	0.058	2	130.4900	0.058	2	130.4900	0.058	2	130.4900	0.058	2
818	466	997	0:SP2_SP3_SP3	C[5,6]	C[6]	Se[5]	3:4:2:	3:4:1:1:	3:2:	C[5,6]-3:C[6]-4:Se[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(Se[5]N[5])	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	Se[5](C[5,6]C[5,6]C[6])(N[5]N[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(Se[5]N[5]){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	Se[5](C[5,6]C[5,6]C[6])(N[5]N[5]){2|C<4>,2|H<1>}	125.7700	0.188	2	125.7700	0.035	2	125.7700	0.035	2	125.7700	0.035	2	123.3286	3.764	7	123.3286	3.764	7
818	466	997	0:SP2_SP3_SP3	C[5,6]	C[6]	Se[5]	3:4:2:	3:4:1:1:	3:3:	C[5,6]-3:C[6]-4:Se[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	Se[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	Se[5](C[5,6]C[5,6]C[6])(C[5]C[5]N){1|C<3>,2|C<4>,2|H<1>}	120.3120	0.000	1	120.3120	0.000	1	122.3520	1.465	5	122.3520	1.465	5	123.3286	3.764	7	123.3286	3.764	7
818	466	997	0:SP2_SP3_SP3	C[5,6]	C[6]	Se[5]	3:4:2:	3:4:1:1:	3:3:	C[5,6]-3:C[6]-4:Se[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	Se[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	Se[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	122.6315	0.086	2	122.8620	0.220	4	122.3520	1.465	5	122.3520	1.465	5	123.3286	3.764	7	123.3286	3.764	7
818	466	997	0:SP2_SP3_SP3	C[5,6]	C[6]	Se[5]	3:4:2:	3:4:1:1:	3:3:	C[5,6]-3:C[6]-4:Se[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	Se[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	Se[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	123.5610	0.000	1	122.8620	0.220	4	122.3520	1.465	5	122.3520	1.465	5	123.3286	3.764	7	123.3286	3.764	7
818	466	997	0:SP2_SP3_SP3	C[5,6]	C[6]	Se[5]	3:4:2:	3:4:1:1:	3:3:	C[5,6]-3:C[6]-4:Se[5]-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	Se[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|C<3>,1|C<4>,1|I<1>,4|H<1>}	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	Se[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	122.6240	0.000	1	122.8620	0.220	4	122.3520	1.465	5	122.3520	1.465	5	123.3286	3.764	7	123.3286	3.764	7
818	474	474	0:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:2:	3:3:2:2:	C[5,5]-4:C[5]-4:C[5,5]-3:	C[5,5]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,5]-3:C[6a]-3:N[5]-2:O-2:	C[5,5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5]O)(C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)2(O[5]C[5])	C[5](C[5,5]C[5,5]2)(C[6a]C[6a]2)(N[5]C[5])(OC)	C[5,5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5]O)(C[5,5]C[5]2){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)2(O[5]C[5]){1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]2)(C[6a]C[6a]2)(N[5]C[5])(OC){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	139.3270	0.000	1	139.3270	0.000	1	139.3270	0.000	1	139.3270	0.000	1	139.3270	0.000	1	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5,5]	C[5,6]	C[5]	3:4:4:	3:3:4:4:	3:4:1:1:	C[5,5]-3:C[5,6]-4:C[5]-4:	C[5,5]-3:C[6]-3:C[5]-4:C[6]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5](C[5,5]C[5,6]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5,6](C[5,5]C[5,5]C[5])(C[6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5]C[5,6]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5]HH){2|C<3>,4|C<4>,7|H<1>}	C[5,6](C[5,5]C[5,5]C[5])(C[6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(H)2{2|C<3>,4|C<4>}	133.0040	0.000	1	133.0040	0.000	1	133.0040	0.000	1	133.0040	0.000	1	133.5030	0.498	2	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5,5]	C[5,6]	C[5]	4:3:4:	4:3:3:4:	3:4:4:1:	C[5,6]-4:C[5,5]-3:C[5]-4:	C[5,6]-4:C[5,5]-3:C[6]-3:C[5]-4:	C[5,5]-3:C[5]-4:C-4:H-1:	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6]C[5])(C[5]C[5]CH)	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5])(C[6]C[6,6]O)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(CCHH)(H)	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6]C[5])(C[5]C[5]CH){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5])(C[6]C[6,6]O)(C[5]C[5]HH){1|N<3>,6|H<1>,7|C<4>}	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(CCHH)(H){2|C<3>,4|C<4>}	134.0020	0.000	1	134.0020	0.000	1	134.0020	0.000	1	134.0020	0.000	1	133.5030	0.498	2	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5,5]	C[5]	C[5,5]	4:3:4:	3:4:1:1:	3:3:2:2:	C[5,5]-4:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5,5]-3:O[5]-2:O[5]-2:	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5,5]C[5])(C[5]C[5]HH)	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5])2(O[5]C[5])2	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5,5]C[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5,5]C[5])2(O[5]C[5])2{4|C<4>,8|H<1>}	135.6450	1.342	2	135.6450	1.801	2	135.6450	1.801	2	135.6450	1.801	2	135.6450	1.801	2	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5,5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:4:1:	C[5]-4:C[5,5]-3:C[5]-4:	C[5,6a]-3:C[5,5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-3:Si-4:H-1:	C[5,5](C[5]C[5,6a]SiH)(C[5,5]C[5,6a]2)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(SiC3)(H)	C[5,5](C[5]C[5,6a]SiH)(C[5,5]C[5,6a]2)(C[5]C[5,6a]HH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H)2{1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(SiC3)(H){3|H<1>,4|C<3>}	136.2440	0.000	1	136.2440	0.000	1	136.2440	0.000	1	136.2440	0.000	1	135.8193	0.204	3	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:3:3:1:	3:3:3:1:	C[5]-4:C[5]-4:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:H-1:	C[5,5](C[5]C[5,6a]C[6a]H)2(C[5,5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6a]C[6a]H)2(C[5,5]C[5,6a]2){8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,7|C<3>}	135.3440	0.000	1	135.3440	0.000	1	135.6070	0.138	2	135.6070	0.138	2	135.8193	0.204	3	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:3:3:1:	3:3:3:1:	C[5]-4:C[5]-4:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:H-1:	C[5,5](C[5]C[5,6a]C[6a]H)2(C[5,5]C[5,6a]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6a]C[6a]H)2(C[5,5]C[5,6a]2){8|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,8|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,8|C<3>}	135.8700	0.000	1	135.8700	0.000	1	135.6070	0.138	2	135.6070	0.138	2	135.8193	0.204	3	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:3:4:	3:4:2:4:	3:2:1:1:	C[5,3x6]-4:C[5,6,6]-3:C[5]-4:	C[5,6,6]-3:C[5,6,6]-4:O[6,6]-2:C[5]-4:	C[5,6,6]-3:O[5]-2:H-1:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH)	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]N[6,6])(C[5]O[5]HH)	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(O[5]C[5])(H)2	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH){1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]N[6,6])(C[5]O[5]HH){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|C<4>}	137.6340	0.008	2	137.6340	0.000	2	137.8417	0.129	3	137.8417	0.129	3	137.8417	0.129	3	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:3:4:	3:4:2:4:	3:2:1:1:	C[5,3x6]-4:C[5,6,6]-3:C[5]-4:	C[5,6,6]-3:C[5,6,6]-4:O[6,6]-2:C[5]-4:	C[5,6,6]-3:O[5]-2:H-1:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH)	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]O[6,6])(C[5]O[5]HH)	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(O[5]C[5])(H)2	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]O[6,6])(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|C<4>}	138.2570	0.000	1	138.2570	0.000	1	137.8417	0.129	3	137.8417	0.129	3	137.8417	0.129	3	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:3:	4:2:3:2:	3:4:4:3:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6]-4:O[5,6]-2:C[5,6]-3:O[5]-2:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])	C[5,5,6](C[5,6]C[5]C[6]O)(O[5,6]C[5,5,6])(C[5,6]C[5,6]2)(O[5]C[5,5])	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]){1|O<1>,2|O<2>,4|H<1>,9|C<4>}	C[5,5,6](C[5,6]C[5]C[6]O)(O[5,6]C[5,5,6])(C[5,6]C[5,6]2)(O[5]C[5,5]){1|C<3>,1|O<2>,3|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|O<2>,4|C<4>,6|H<1>}	124.6980	0.000	1	124.6980	0.000	1	124.6980	0.000	1	124.6980	0.000	1	124.6980	0.000	1	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5]	4:3:4:	4:3:4:2:	3:2:1:1:	C[5,5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:C[5]-4:O[5]-2:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,6]C[5,5,6]C[5,6])(O[5]C[5])(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,8|H<1>}	C[5](C[5,6]C[5,5,6]C[5,6])(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|C<4>}	125.9360	0.000	1	125.9360	0.000	1	125.9360	0.000	1	125.9360	0.000	1	125.9360	0.000	1	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	3:4:4:	3:4:4:1:	3:2:1:1:	C[5,6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-3:S[5]-2:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[5]S[5]HH)	C[5,6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6,6]C[5,6])(S[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[5]S[5]HH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[5,6])(S[5]C[5,6])(H)2{2|H<1>,4|C<4>}	122.0060	0.000	1	122.0060	0.000	1	122.0060	0.000	1	122.0060	0.000	1	124.5080	3.962	9	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:3:3:2:	3:3:2:1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-3:C[5]-3:O-2:I-1:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]IO)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5])(I)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]IO){1|N<2>,1|O<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|I<1>,1|O<2>,2|C<4>,6|C<3>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5])(I){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	122.8510	0.000	1	122.8510	0.000	1	122.8510	0.000	1	122.8510	0.000	1	124.5080	3.962	9	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:3:3:3:	3:2:1:1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6a]-3:N[5a,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|N<3>,4|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.4965	0.037	2	123.4965	0.001	2	123.4965	0.001	2	123.4965	0.001	2	124.5080	3.962	9	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:3:3:3:	3:4:1:1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	124.2950	0.000	1	124.2950	0.000	1	124.2950	0.000	1	124.2950	0.000	1	124.5080	3.962	9	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:4:3:4:	3:3:2:1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:N[5]-3:O-2:H-1:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5a,6]C[5])(C[5]N[5]HO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5,6]C[5,6]C[5])(CH3)	C[5](C[5,6]C[5,6]2)(N[5]C[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5a,6]C[5])(C[5]N[5]HO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5,6]C[5,6]C[5])(CH3){1|C<4>,1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5,6]C[5,6]2)(N[5]C[5]C)(OH)(H){1|O<1>,2|C<3>,2|C<4>}	125.0190	0.000	1	125.0190	0.000	1	125.0190	0.000	1	125.0190	0.000	1	124.5080	3.962	9	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:4:4:1:	3:2:1:1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{3|C<4>,3|H<1>}	127.7180	0.000	1	127.7180	0.000	1	127.7180	0.000	1	127.7180	0.000	1	124.5080	3.962	9	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:4:4:2:	3:2:1:1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|C<4>}	124.0480	0.000	1	124.0480	0.000	1	124.0480	0.000	1	124.0480	0.000	1	124.5080	3.962	9	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	4:3:3:1:	3:4:1:1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5a,6]C[5])(C[5]C[5]FF)	C[5,6](C[5,6]C[5a,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5a,6]C[5])(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<4>,3|C<3>,4|F<1>}	C[5,6](C[5,6]C[5a,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)(H){2|C<3>,2|F<1>,2|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2{1|C<4>,1|H<1>,2|C<3>,2|F<1>}	127.6420	0.000	1	127.6420	0.000	1	127.6420	0.000	1	127.6420	0.000	1	124.5080	3.962	9	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5]	4:4:3:	4:4:3:1:	3:4:2:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-4:O[5]-2:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]O[5]H)(C[5]C[6a]C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]2)(H)	C[5](C[5]C[5,5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]O[5]H)(C[5]C[6a]C[5]){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]2)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H){2|C<4>,2|H<1>,5|C<3>}	116.9300	0.000	1	116.9300	0.000	1	116.9300	0.000	1	116.9300	0.000	1	116.9300	0.000	1	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:4:3:	3:4:4:1:	C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:C-4:H-1:	C[5](C[5,6]C[5,6]2C[6])(C[5]C[5]CH)(C[5]C[5]H)	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]2)	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5,6]C[5,6]2C[6])(C[5]C[5]CH)(C[5]C[5]H){1|O<2>,5|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]2){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CCHH)(H){3|C<4>,3|H<1>}	122.1810	0.000	1	122.1810	0.000	1	122.1810	0.000	1	122.1810	0.000	1	122.1810	0.000	1	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:2:4:	4:4:3:1:	3:3:4:4:	C[5]-4:N[5]-2:C[5]-4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(C[5]C[5]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(C[5]C[5]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(C[5]C[5]N[5])(H){1|H<1>,2|C<4>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)2{2|C<3>,2|C<4>,2|H<1>}	124.3700	1.662	2	124.3700	2.761	2	124.3700	2.761	2	124.3700	2.761	2	122.7296	4.949	40	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:3:	3:2:1:1:	C[5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(C[5]O[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]C)(CCH)	C[5](C[5]C[5]2)(O[5]C[5])(H)2	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(C[5]O[5]HH){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]C)(CCH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|O<1>,4|C<3>}	121.2310	0.000	1	121.2310	0.000	1	121.2310	0.000	1	121.2310	0.000	1	122.7296	4.949	40	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:3:4:	3:4:3:1:	3:2:1:1:	C[5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]2)(H)	C[5](C[5]C[5]2)(O[5]C[5])(H)2	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]2)(H){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	124.2830	0.000	1	124.2830	0.000	1	123.2930	1.960	2	123.2930	1.960	2	122.7296	4.949	40	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:3:4:	3:4:3:1:	3:2:1:1:	C[5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5]2)(O[5]C[5])(H)2	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	122.3030	0.000	1	122.3030	0.000	1	123.2930	1.960	2	123.2930	1.960	2	122.7296	4.949	40	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:3:4:	4:4:3:4:	3:3:1:1:	C[5]-4:C[5]-3:C[5]-4:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(C[5]C[5]2)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[5]C[5]2C){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(C[5]C[5]2)(CC[6a]HH){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{2|C<3>,2|H<1>,3|C<4>}	125.6980	0.000	1	125.6980	0.000	1	125.6980	0.000	1	125.6980	0.000	1	122.7296	4.949	40	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:2:	3:3:3:4:	3:3:4:1:	C[5]-4:C[5]-4:N[5]-2:	C[5,6a]-3:C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]ClC)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(Cl)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]ClC)(N[5]C[5,6a]){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)(CCHH){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(Cl){2|C<4>,4|C<3>}	125.4220	0.000	1	125.4220	0.000	1	125.4220	0.000	1	125.4220	0.000	1	122.7296	4.949	40	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:2:	4:3:1:1:	3:4:2:1:	C[5]-4:C[5]-4:N[5]-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:O[5]-2:H-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HH)(N[5]O[5])	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]N[5])(H)2	C[5](C[5]C[5]N[5])(C[5]O[5]HH)(O[5]C[5,6])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HH)(N[5]O[5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]N[5])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]N[5])(C[5]O[5]HH)(O[5]C[5,6])(H){1|O<2>,2|H<1>,3|C<4>}	124.1030	0.000	1	124.1030	0.000	1	124.1030	0.000	1	124.1030	0.000	1	122.7296	4.949	40	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:2:2:	4:3:4:4:	C[5]-4:C[5]-4:C[5]-3:	C[5,6]-3:C[5]-3:O[5]-2:O-2:	C[5]-4:C[5]-3:C-4:C-4:	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2)(O[5]C[5])(OH)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH)(CH3)	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CC)(C[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2)(O[5]C[5])(OH){1|C<3>,1|H<1>,1|O<1>,7|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH)(CH3){1|C<3>,2|O<2>,3|H<1>}	122.7160	0.000	1	122.7160	0.000	1	122.7160	0.000	1	122.7160	0.000	1	122.7296	4.949	40	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:4:2:	3:4:1:1:	C[5]-4:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]HH)(N[5]C[5]O)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]N[5])(C[5]C[5]HH)(OH)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]HH)(N[5]C[5]O){1|C<4>,1|N<2>,1|N<3>,6|H<1>}	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]N[5])(C[5]C[5]HH)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	125.2340	0.000	1	125.2340	0.000	1	125.2340	0.000	1	125.2340	0.000	1	122.7296	4.949	40	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2)(H){4|C<3>,6|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{1|C<4>,3|C<3>,3|H<1>}	123.6960	0.000	1	123.6960	0.000	1	123.6960	0.000	1	123.6960	0.000	1	122.7296	4.949	40	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:2:1:	4:3:3:1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCC)(H){1|O<2>,2|C<4>,3|H<1>}	123.5800	0.578	2	123.5800	0.335	2	123.5800	0.335	2	123.5800	0.335	2	122.7296	4.949	40	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:2:1:	4:3:4:1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	120.9190	0.000	1	120.9190	0.000	1	120.9190	0.000	1	120.9190	0.000	1	122.7296	4.949	40	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:2:1:	4:3:4:2:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(OH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	117.5420	0.000	1	117.5420	0.000	1	117.5420	0.000	1	117.5420	0.000	1	122.7296	4.949	40	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:2:4:	3:2:1:1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]H)	C[5](C[5]O[5]CH)(C[5]C[5]2)(O[5]C[5])(CCHH)	C[5](C[5]C[5]2)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]O[5]CH)(C[5]C[5]2)(O[5]C[5])(CCHH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	121.9180	0.000	1	121.9180	0.000	1	121.9180	0.000	1	121.9180	0.000	1	122.7296	4.949	40	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]2)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	119.5990	0.072	3	119.5990	0.005	3	119.5990	0.005	3	119.9188	0.412	4	122.7296	4.949	40	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(N[5]C[5]C)(H)	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,7|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.8780	0.000	1	120.8780	0.000	1	120.8780	0.000	1	119.9188	0.412	4	122.7296	4.949	40	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:2:1:	C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5](C[5]C[5,5]N[5]H)(C[5]C[5]HO)(C[5]C[5]C)	C[5](C[5,5]N[5,5a]C[5,5]H)(C[5]C[5]2)(N[5]N[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5,5]N[5]H)(C[5]C[5]HO)(C[5]C[5]C){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[5](C[5,5]N[5,5a]C[5,5]H)(C[5]C[5]2)(N[5]N[5]C)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(OC)(H){1|N<3>,2|C<4>,3|H<1>}	119.5020	0.000	1	119.5020	0.000	1	119.5020	0.000	1	119.5020	0.000	1	122.7296	4.949	40	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:2:1:	C[5]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5](C[5]C[5,5,6]CH)(C[5]C[5]O[5]H)(C[5]C[5,5,6]C)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CCCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5]O[5]H)(C[5]C[5,5,6]C){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CCCO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<4>}	123.4310	0.000	1	123.4310	0.000	1	123.4310	0.000	1	123.4310	0.000	1	122.7296	4.949	40	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	3:2:1:1:	C[5]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]O[5]HH)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5]2)(O[5]C[5])(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]O[5]HH)(C[5]C[5]H){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>}	122.7640	2.035	13	123.0185	4.730	14	123.0185	4.730	14	122.8292	4.416	16	122.7296	4.949	40	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	3:2:1:1:	C[5]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]O[5]HH)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5]2)(O[5]C[5])(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]O[5]HH)(C[5]C[5]H){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,2|C<4>,3|O<2>,6|H<1>}	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>}	126.3270	0.000	1	123.0185	4.730	14	123.0185	4.730	14	122.8292	4.416	16	122.7296	4.949	40	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	3:2:1:1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5]C[5]2H)(C[5]O[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5]2)(O[5]C[5])(H)2	C[5](C[5]C[5]2H)(C[5]O[5]HH)(C[5]C[5]C){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	121.5040	0.854	2	121.5040	0.730	2	121.5040	0.730	2	122.8292	4.416	16	122.7296	4.949	40	125.2829	30.593	64
818	474	474	0:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]HH)(C[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]HH)(C[5]C[5]2)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	125.1720	0.403	2	125.1720	0.162	2	125.1720	0.162	2	125.1720	0.162	2	122.7296	4.949	40	125.2829	30.593	64
818	474	474	5:SP2_SP3_SP3	C[3x5]	C[3x5,6]	C[5,5,6]	4:4:3:	3:3:3:4:	3:3:4:1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:	C[5,6,6a]-3:C[5,6]-3:C[3x5]-3:C[5,6]-4:	C[5,6,6a]-3:C[3x5]-3:C[5,6]-4:H-1:	C[3x5](C[3x5,6]C[5,6,6a]C[5,6]2)(C[5,5,6]C[5,6,6a]C[5,6]H)(C[5]C[5,6]Si)	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[6,6a]C[5,6])(C[3x5]C[5,5,6]C[5])(C[5,6]C[5,6]CC)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3x5]C[3x5,6]C[5])(C[5,6]C[5,6]CC)(H)	C[3x5](C[3x5,6]C[5,6,6a]C[5,6]2)(C[5,5,6]C[5,6,6a]C[5,6]H)(C[5]C[5,6]Si){1|C<4>,3|C<3>,4|C<2>}	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[6,6a]C[5,6])(C[3x5]C[5,5,6]C[5])(C[5,6]C[5,6]CC){1|Si<4>,1|C<4>,1|H<1>,2|C<2>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3x5]C[3x5,6]C[5])(C[5,6]C[5,6]CC)(H){1|Si<4>,1|H<1>,2|C<2>,4|C<3>}	99.1744	0.000	1	99.1744	0.000	1	99.1744	0.000	1	99.1744	0.000	1	99.1744	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5,6]	C[3x5,6]	C[5,6]	4:4:2:	3:4:4:4:	4:3:1:1:	C[3x5,6]-4:C[5,6]-4:N[5]-2:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-3:H-1:H-1:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5])	C[3x5,6](C[5,5,6]C[5,6]N[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[3x5,6]N[5])(H)2	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]){2|O<1>,3|C<4>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]N[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){2|O<1>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[3x5,6]N[5])(H)2{1|S<4>,2|H<1>,4|C<4>}	107.6750	0.000	1	107.6750	0.000	1	107.6750	0.000	1	107.6750	0.000	1	109.4730	1.491	4	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5,6]	C[3x5,6]	C[5,6]	4:4:3:	4:3:4:4:	3:4:4:1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:	C[5,5]-4:C[5,5,6]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]H)	C[3x5,6](C[5,5]C[5,5,6]Cl2)(C[5,5,6]C[5,6]2)(C[5,6]C[5,6]HH)(C[5]C[5,6]HH)	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]H){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[3x5,6](C[5,5]C[5,5,6]Cl2)(C[5,5,6]C[5,6]2)(C[5,6]C[5,6]HH)(C[5]C[5,6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	109.4730	1.491	4	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5,6]	C[3x5,6]	C[5,6]	4:4:3:	4:4:3:4:	3:4:4:4:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:	C[5,5]-4:C[5,6]-4:C[5,5,6]-3:C[5]-4:	C[5,5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]H)	C[3x5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]HH)(C[5,5,6]C[5,6]2)(C[5]C[5,6]HH)	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]H){1|O<2>,3|C<4>,9|H<1>}	C[3x5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]HH)(C[5,5,6]C[5,6]2)(C[5]C[5,6]HH){1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H){4|C<4>,7|H<1>}	110.2350	0.069	2	110.2350	0.005	2	110.2350	0.005	2	110.2350	0.005	2	109.4730	1.491	4	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5,6]	C[3x5,6]	C[5]	4:3:4:	3:4:3:4:	3:4:1:1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-3:C[5,6]-4:C[5,5]-3:C[5]-4:	C[5,5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[3x5,6]H)(C[5]C[5]HH)	C[3x5,6](C[5,5,6]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(C[5,5]C[3x5,6]C)(C[5]C[5]HH)	C[5](C[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[3x5,6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(C[5,5]C[3x5,6]C)(C[5]C[5]HH){1|C<4>,1|N<3>,6|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5,6]	C[4x5,6]	C[5]	4:3:4:	4:4:3:3:	3:2:1:1:	C[4x5,6]-4:C[5,6]-3:C[5]-4:	C[3,5,5,6]-4:C[4x5]-4:C[5,5,6]-3:C[5]-3:	C[5,5,6]-3:O[5]-2:H-1:H-1:	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]H)(C[5]O[5]HH)	C[4x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]C)(C[4x5]C[3x5,6]O[5,5]C)(C[5,5,6]C[5,6]C[5])(C[5]O[5]O)	C[5](C[5,5,6]C[4x5,6]C[5,6])(O[5]C[5])(H)2	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[4x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]C)(C[4x5]C[3x5,6]O[5,5]C)(C[5,5,6]C[5,6]C[5])(C[5]O[5]O){1|C<4>,5|H<1>}	C[5](C[5,5,6]C[4x5,6]C[5,6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	107.9770	0.000	1	107.9770	0.000	1	107.9770	0.000	1	107.9770	0.000	1	107.9770	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5,6]	C[5,5,6]	C[5,5]	4:3:4:	3:4:4:4:	3:4:4:1:	C[5,5,6]-4:C[5,6]-3:C[5,5]-4:	C[5,5,6]-3:C[5,6]-4:C[5]-4:C[5]-4:	C[5,5,6]-3:C[5]-4:C[5]-4:H-1:	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6])(C[5,5]C[5]2H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[5]C[5]HO)	C[5,5](C[5,5,6]C[5,5,6]C[5,6])(C[5]C[5]HH)2(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6])(C[5,5]C[5]2H){1|O<1>,2|O<2>,3|C<4>,9|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,2|C<4>,9|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6])(C[5]C[5]HH)2(H){1|O<1>,2|H<1>,3|C<4>}	112.9100	0.000	1	112.9100	0.000	1	112.9100	0.000	1	112.9100	0.000	1	112.9100	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5,6]	C[5,5]	C[5,6]	4:4:4:	4:3:4:4:	3:4:1:1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5,5,6]-3:C-4:C-4:	C[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2)(CH3)2	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]CO)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2{1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2)(CH3)2{1|C<4>,1|O<2>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]CO)(H)2{2|H<1>,4|C<4>}	101.8320	0.000	1	101.8320	0.000	1	102.3995	0.644	2	102.3995	0.644	2	102.3995	0.644	2	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5,6]	C[5,5]	C[5,6]	4:4:4:	4:3:4:4:	3:4:1:1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5,5,6]-3:C-4:C-4:	C[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2)(CH3)2	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2{1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2)(CH3)2{1|C<4>,1|O<2>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	102.9670	0.000	1	102.9670	0.000	1	102.3995	0.644	2	102.3995	0.644	2	102.3995	0.644	2	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5,6]	C[5,6,6]	C[5,5,6]	4:4:3:	3:3:3:1:	3:4:3:1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,5,6]-3:Cl-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5,6]-3:Cl-1:	C[5,5,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6])(Cl)	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6]2)(Cl)	C[5,5,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6]){3|Cl<1>,1|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6])(Cl){1|Cl<1>,3|C<4>,5|C<3>}	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6]2)(Cl){2|Cl<1>,2|C<4>,5|C<3>}	112.4270	0.000	1	112.4270	0.000	1	112.4270	0.000	1	112.4270	0.000	1	112.4270	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5,6]	C[5,6]	C[5,5]	4:4:3:	3:4:3:1:	4:3:1:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:	C[5,5,6]-3:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,5,6]-3:H-1:H-1:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[5]C)(COO)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[5]C)(COO)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	100.0550	0.000	1	100.0550	0.000	1	100.0550	0.000	1	100.0550	0.000	1	100.0550	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[3x5,3x6]	C[3x5,6,6]	4:4:1:	4:4:3:4:	4:4:3:1:	C[3x5,6,6]-4:C[3x5,3x6]-4:O-1:	C[3x5,3x6]-4:C[3x5,3x6]-4:C[5,5]-3:C[6]-4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-3:H-1:	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,3x6]C[3x5,3x6]2C[6])(O)	C[3x5,3x6](C[3x5,3x6]C[3x5,3x6]C[5,5]C[6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[6]C[6]HH)	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[5,5]C[3x5,3x6]O)(H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,3x6]C[3x5,3x6]2C[6])(O){1|C<3>,5|C<4>,5|H<1>}	C[3x5,3x6](C[3x5,3x6]C[3x5,3x6]C[5,5]C[6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[6]C[6]HH){1|O<1>,3|C<4>,8|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[5,5]C[3x5,3x6]O)(H){1|C<3>,2|H<1>,5|C<4>}	99.2935	0.095	2	99.2935	0.009	2	99.2935	0.009	2	99.2935	0.009	2	99.2935	0.009	2	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[3x5,4x6]	C[3x5,6,6]	4:4:1:	4:4:3:4:	4:4:3:1:	C[3x5,4x6]-4:C[3x5,6,6]-4:O-1:	C[3x5,5x6]-4:C[3x5,3x6]-4:C[5,5]-3:C[6,6]-4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-3:H-1:	C[5,5](C[3x5,4x6]C[3x5,3x6]C[3x5,5x6]C[6,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(O)	C[3x5,4x6](C[3x5,5x6]C[3x5,3x6]C[5,5,6,6]C[6,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[6,6]C[3x6]HH)	C[3x5,6,6](C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,4x6]O)(H)	C[5,5](C[3x5,4x6]C[3x5,3x6]C[3x5,5x6]C[6,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(O){5|H<1>,6|C<4>}	C[3x5,4x6](C[3x5,5x6]C[3x5,3x6]C[5,5,6,6]C[6,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[6,6]C[3x6]HH){2|C<3>,4|C<4>,6|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,4x6]O)(H){4|C<4>,4|H<1>}	99.2632	0.000	1	99.2632	0.000	1	99.2632	0.000	1	99.2632	0.000	1	99.2632	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[3x5,6,6]	C[3x5,6,6]	4:4:1:	4:4:3:1:	4:4:3:4:	C[3x5,6,6]-4:C[3x5,6,6]-4:O-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-3:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-3:C-4:	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C)(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(O)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]O)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(CCHH)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C)(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(O){1|O<2>,3|H<1>,4|C<4>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(H){1|O<2>,2|H<1>,5|C<4>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]O)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(CCHH){3|C<4>,5|H<1>}	101.2930	0.000	1	101.2930	0.000	1	101.2930	0.000	1	101.2930	0.000	1	101.2930	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[3x5,6]	C[3x5,6]	4:4:1:	4:4:3:3:	4:4:3:3:	C[3x5,6]-4:C[3x5,6]-4:O-1:	C[4,5,5,6,6]-4:C[5,5,6,6]-4:C[5,5]-3:C[6a]-3:	C[4,5,5,6,6]-4:C[5,5,6,6]-4:C[5,5]-3:C[6a]-3:	C[5,5](C[3x5,6]C[4,5,5,6,6]C[5,5,6,6]C[6a])2(O)	C[3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[6,6a])(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]O)(C[6a]C[6a]2)	C[3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[6,6a])(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]O)(C[6a]C[6a]2)	C[5,5](C[3x5,6]C[4,5,5,6,6]C[5,5,6,6]C[6a])2(O){2|C<4>,2|H<1>,8|C<3>}	C[3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[6,6a])(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]O)(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	C[3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[6,6a])(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]O)(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	101.0550	0.000	1	101.0550	0.000	1	101.0550	0.000	1	101.0550	0.000	1	97.9565	19.201	2	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[3x5,6]	C[3x5,6]	4:4:3:	3:4:3:4:	4:3:3:3:	C[3x5,6]-4:C[3x5,6]-4:C-3:	C[5,5,6]-3:C[5,6]-4:C[5,5]-3:C[5]-4:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:N[5]-3:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[3x5,6]C[5,5,6]C[5,6]N[5])(CHH)	C[3x5,6](C[5,5,6]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(C[5,5]C[3x5,6]C)(C[5]C[5]HH)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[3x5,6]C)(C[5,6]C[5,5,6]H)(N[5]C[5]S)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[3x5,6]C[5,5,6]C[5,6]N[5])(CHH){1|S<4>,4|C<4>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(C[5,5]C[3x5,6]C)(C[5]C[5]HH){1|C<4>,1|N<3>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[3x5,6]C)(C[5,6]C[5,5,6]H)(N[5]C[5]S){2|C<4>,6|H<1>}	94.8581	0.000	1	94.8581	0.000	1	94.8581	0.000	1	94.8581	0.000	1	97.9565	19.201	2	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[3x5,6]	C[5,5,6]	4:4:1:	4:4:3:4:	4:3:2:1:	C[3x5,6]-4:C[5,5,6]-4:O-1:	C[3x5,6]-4:C[5,6]-4:C[5,5]-3:C[5]-4:	C[5,5,6]-4:C[5,5]-3:S[5,6]-2:H-1:	C[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]S[5,6]H)(O)	C[3x5,6](C[3x5,6]C[5,5,6]C[5]N[5])(C[5,6]S[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[3x5,6]C[5,6a]O)(C[5,5]C[3x5,6]O)(S[5,6]C[5,6])(H)	C[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]S[5,6]H)(O){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[3x5,6](C[3x5,6]C[5,5,6]C[5]N[5])(C[5,6]S[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[3x5,6]C[5,6a]O)(C[5,5]C[3x5,6]O)(S[5,6]C[5,6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	100.9180	0.000	1	100.9180	0.000	1	100.9180	0.000	1	100.9180	0.000	1	100.9180	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[3x5,6]	C[5]	4:4:2:	4:4:3:4:	3:4:1:1:	C[3x5,6]-4:C[5]-4:N[5]-2:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5](C[3x5,6]C[5,5,6]2C[5])(C[5]C[5]HH)(N[5]O[5])	C[3x5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5,5]C[3x5,6]N[5])(C[5]C[5]HH)(H)2	C[5,5](C[3x5,6]C[5,5,6]2C[5])(C[5]C[5]HH)(N[5]O[5]){1|C<3>,3|C<4>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5]N[5])(C[5]C[5]HH){1|C<3>,8|H<1>}	C[5](C[5,5]C[3x5,6]N[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	112.0480	0.000	1	112.0480	0.000	1	112.0480	0.000	1	112.0480	0.000	1	110.3688	1.578	5	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[3x5,6]	C[5]	4:4:3:	4:4:3:3:	3:4:1:1:	C[3x5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C[5,5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]Si)	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[5,5]C[5]2)	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]Si){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[5,5]C[5]2){1|Si<4>,1|O<1>,2|C<4>,8|H<1>}	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2{1|Si<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.0430	0.000	1	109.0430	0.000	1	109.0430	0.000	1	109.0430	0.000	1	110.3688	1.578	5	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[3x5,6]	C[5]	4:4:3:	4:4:4:3:	3:4:1:1:	C[3x5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C[5,5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]Si)	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5,5]C[5]2)	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]Si){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5,5]C[5]2){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,8|H<1>}	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2{1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	111.3090	0.000	1	111.3090	0.000	1	111.3090	0.000	1	110.2510	0.847	3	110.3688	1.578	5	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[3x5,6]	C[5]	4:4:3:	4:4:4:3:	3:4:1:1:	C[3x5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5,6]-4:C[5,5]-4:C[5,5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]H)	C[3x5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2H)(C[5,5]C[5]2)	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]H){2|C<3>,2|C<4>,7|H<1>}	C[3x5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2H)(C[5,5]C[5]2){11|H<1>,1|C<4>,2|O<1>}	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2{2|H<1>,4|C<4>}	109.7220	0.120	2	109.7220	0.014	2	109.7220	0.014	2	110.2510	0.847	3	110.3688	1.578	5	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[3x5]	C[5]	4:3:4:	4:3:4:4:	3:4:1:1:	C[3x5]-4:C[5]-3:C[5]-4:	C[5,5]-4:C[5,5]-3:C[5]-4:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]HH)	C[3x5](C[5,5]C[5]2H)(C[5,5]C[5]2)(C[5]C[5]HH)2	C[5](C[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,8|H<1>}	C[3x5](C[5,5]C[5]2H)(C[5,5]C[5]2)(C[5]C[5]HH)2{1|C<3>,2|O<2>,8|H<1>}	C[5](C[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	109.5060	0.000	1	109.5060	0.000	1	109.5060	0.000	1	109.5060	0.000	1	111.2597	2.138	6	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[3x5]	C[5]	4:4:2:	3:3:4:4:	3:3:4:1:	C[3x5]-4:C[5]-4:N[5]-2:	C[5,6a]-3:C[5,5]-3:C[5,5]-4:C[5]-4:	C[5,5]-3:N[5]-3:C-4:H-1:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(N[5]C[5])	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5](C[5,5]C[3x5]N[5])(N[5]C[5,5]C)(CC3)(H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(N[5]C[5]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5,5]N[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[3x5]N[5])(N[5]C[5,5]C)(CC3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	111.6440	0.000	1	111.6440	0.000	1	111.6440	0.000	1	111.6440	0.000	1	111.2597	2.138	6	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[3x5]	C[5]	4:4:2:	4:4:3:4:	4:3:1:1:	C[3x5]-4:C[5]-4:N[5]-2:	C[5,5]-4:C[5,6]-4:C[5,5]-3:C[5]-4:	C[5,6]-4:C[5,5]-3:H-1:H-1:	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(N[5]O[5])	C[3x5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]N[5])(C[5]C[5,5]HH)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[3x5]N[5])(H)2	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(N[5]O[5]){4|H<1>,5|C<4>}	C[3x5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]N[5])(C[5]C[5,5]HH){1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[3x5]N[5])(H)2{1|H<1>,1|O<2>,6|C<4>}	112.8660	0.025	2	112.8660	0.001	2	112.8660	0.001	2	112.8660	0.001	2	111.2597	2.138	6	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[3x5]	C[5]	4:4:3:	4:3:4:4:	3:4:1:1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[5,5]-3:C[5]-4:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5](C[3x5]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2)(C[5]C[5]HH)2	C[5](C[5,5]C[3x5]C[5])(C[5]C[5,5,6]HH)(H)2	C[5,5](C[3x5]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2)(C[5]C[5]HH)2{2|O<1>,3|C<4>,7|H<1>}	C[5](C[5,5]C[3x5]C[5])(C[5]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	110.3380	0.778	2	110.3380	0.605	2	110.3380	0.605	2	110.3380	0.605	2	111.2597	2.138	6	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[4x5,6,6]	C[3x5,6,6]	4:4:1:	4:4:3:4:	4:4:3:1:	C[4x5,6,6]-4:C[3x5,6,6]-4:O-1:	C[4x5,3x6]-4:C[3x5,3x6]-4:C[5,5]-3:C[5]-4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-3:H-1:	C[5,5](C[4x5,6,6]C[3x5,3x6]C[4x5,3x6]C[5])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(O)	C[4x5,6,6](C[4x5,3x6]C[3x5,3x6]C[5,5,6]O[5,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[5]C[5,6]HH)	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[4x5,6,6]O)(H)	C[5,5](C[4x5,6,6]C[3x5,3x6]C[4x5,3x6]C[5])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(O){1|O<2>,5|C<4>,5|H<1>}	C[4x5,6,6](C[4x5,3x6]C[3x5,3x6]C[5,5,6]O[5,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[5]C[5,6]HH){5|C<4>,5|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[4x5,6,6]O)(H){1|O<2>,3|C<4>,4|H<1>}	99.6908	0.000	1	99.6908	0.000	1	99.6908	0.000	1	99.6908	0.000	1	99.6908	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:1:	3:4:3:4:	3:3:4:1:	C[5,5,6,6]-4:C[5,5,6]-4:O-1:	C[5,6,6]-3:C[5,6]-4:C[5,5]-3:C[6]-4:	C[5,5]-3:C[5,6]-3:C[5,6]-4:H-1:	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(O)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[6]C[6]HH)	C[5,5,6](C[5,5]C[5,5,6,6]O)(C[5,6]C[5,6,6]H)(C[5,6]C[5,6]CH)(H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(O){1|Si<4>,1|C<3>,2|C<4>,5|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,7|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]O)(C[5,6]C[5,6,6]H)(C[5,6]C[5,6]CH)(H){1|Si<4>,1|H<1>,2|C<4>}	98.2925	0.000	1	98.2925	0.000	1	98.2925	0.000	1	98.2925	0.000	1	98.2925	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6,6]	4:4:1:	3:3:4:3:	3:3:4:4:	C[5,5,6,6]-4:C[5,5,6]-4:O-1:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,6,6]-3:C[5,5]-3:C[5,6]-4:C[6]-4:	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2C[6a])(O)	C[5,5,6](C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2C[6a])(O){2|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	98.3314	0.000	1	98.3314	0.000	1	98.3314	0.000	1	98.3314	0.000	1	98.3314	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:	3:3:3:1:	3:3:3:1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-3:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-3:H-1:	C[5,5](C[5,5,6]C[5,6,6a]2H)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]O)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]O)(H)	C[5,5](C[5,5,6]C[5,6,6a]2H)2(O){4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]O)(H){3|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]O)(H){3|H<1>,4|C<3>}	96.7596	0.000	1	96.7596	0.000	1	96.7596	0.000	1	96.7596	0.000	1	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:	3:3:3:3:	3:3:3:3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,5,6]C[5,6,6a]2C[6a])2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,6,6a]2C[6a])2(O){8|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){3|H<1>,8|C<3>}	99.5157	0.000	1	99.5157	0.000	1	99.5157	0.000	1	99.5157	0.000	1	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:	3:3:3:4:	3:3:3:4:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,6,6a]-3:C[5,5]-3:C[5,6]-3:C-4:	C[5,6,6a]-3:C[5,5]-3:C[5,6]-3:C-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CC3)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(CC3)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2(O){1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CC3){1|C<4>,1|H<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(CC3){2|C<4>,3|C<3>}	100.6850	0.000	1	100.6850	0.000	1	100.6850	0.000	1	100.6850	0.000	1	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:	3:3:4:1:	4:3:2:1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	N[5,5,6]-3:C[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5]-3:S[5,6]-2:H-1:	C[5,5](C[5,5,6]C[5,5,6]S[5,6]H)(C[5,5,6]N[5,5,6]C[5,6]H)(O)	C[5,5,6](N[5,5,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]O)(C[5,6]S[5,6]CC)(H)	C[5,5,6](C[5,5,6]N[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(S[5,6]C[5,6])(H)	C[5,5](C[5,5,6]C[5,5,6]S[5,6]H)(C[5,5,6]N[5,5,6]C[5,6]H)(O){1|C<3>,1|H<1>,3|C<4>}	C[5,5,6](N[5,5,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]O)(C[5,6]S[5,6]CC)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]N[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(S[5,6]C[5,6])(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	98.4989	0.000	1	98.4989	0.000	1	98.4989	0.000	1	98.4989	0.000	1	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:	3:3:4:3:	3:3:4:3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5](C[5,5,6]C[5,6]2C[6a])2(O)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,6]2C[6a])2(O){3|H<1>,7|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){3|H<1>,7|C<3>}	98.7370	0.000	1	98.7370	0.000	1	98.7370	0.000	1	98.7370	0.000	1	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:	3:4:3:1:	3:4:3:1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5]-3:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-3:C[5,6]-4:C[5,6]-3:H-1:	C[5,5](C[5,5,6]C[5,6]2H)2(O)	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(O){1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|C<4>,3|H<1>}	96.8085	0.025	2	96.8085	0.001	2	96.8085	0.001	2	96.8085	0.001	2	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:	3:4:3:1:	4:3:3:4:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5]-3:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5,5]-3:C[5,6]-3:C-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(O)	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCHH)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(O){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|Si<4>,1|H<1>,2|C<4>}	C[5,5,6](C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCHH){1|C<3>,3|H<1>}	98.4575	0.000	1	98.4575	0.000	1	98.4575	0.000	1	98.4575	0.000	1	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:	3:4:3:3:	3:3:4:3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,6,6a]-3:C[5,6]-4:C[5,5]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2(O){2|H<1>,8|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){3|H<1>,9|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2){3|H<1>,7|C<3>}	99.5936	0.000	1	99.5936	0.000	1	99.5936	0.000	1	99.5936	0.000	1	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:	3:4:3:3:	3:4:3:3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C[6a]-3:	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C[6a])2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C[6a])2(O){2|H<1>,8|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	99.3217	0.289	19	99.3217	0.084	19	99.3217	0.084	19	99.3877	0.166	20	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:	3:4:3:3:	3:4:3:3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5]-3:C[6a]-3:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])2(O){2|H<1>,8|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){1|O<1>,3|H<1>,8|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){1|O<1>,3|H<1>,8|C<3>}	100.6420	0.000	1	100.6420	0.000	1	100.6420	0.000	1	99.3877	0.166	20	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:	3:4:3:4:	3:4:3:4:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-3:C-4:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-3:C-4:	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]C)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[4,5,6]C[4,5,6]2C)(C[5,5]C[5,5,6]O)(CH3)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[4,5,6]C[4,5,6]2C)(C[5,5]C[5,5,6]O)(CH3)	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]C)2(O){2|C<4>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[4,5,6]C[4,5,6]2C)(C[5,5]C[5,5,6]O)(CH3){1|H<1>,3|C<4>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[4,5,6]C[4,5,6]2C)(C[5,5]C[5,5,6]O)(CH3){1|H<1>,3|C<4>,4|C<3>}	100.3940	0.000	1	100.3940	0.000	1	100.3940	0.000	1	100.0230	0.050	7	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:	3:4:3:4:	3:4:3:4:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2(O){2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	100.0000	0.000	1	100.0000	0.000	1	99.9612	0.028	6	100.0230	0.050	7	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:	3:4:3:4:	3:4:3:4:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2(O){2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	99.7606	0.000	1	99.9534	0.035	5	99.9612	0.028	6	100.0230	0.050	7	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:	3:4:3:4:	3:4:3:4:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2(O){2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	100.0016	0.177	4	99.9534	0.035	5	99.9612	0.028	6	100.0230	0.050	7	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(O){1|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H){1|H<1>,1|O<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H){2|H<1>,8|C<3>}	96.5308	0.000	1	96.5308	0.000	1	96.5308	0.000	1	96.5308	0.000	1	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:	4:3:3:3:	3:3:4:3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,6]-4:C[5,6]-3:C[5,5]-3:C[6a]-3:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5](C[5,5,6]C[5,6]2C[6a])2(O)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,6]2C[6a])2(O){3|H<1>,7|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){3|H<1>,7|C<3>}	99.0346	0.062	3	99.0346	0.004	3	99.0346	0.004	3	99.0346	0.004	3	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:	4:3:3:3:	4:3:3:1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5,6]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5,6]H)(O){1|H<1>,7|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(C[6a]C[6a]2){1|O<1>,3|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H){1|H<1>,9|C<3>}	98.0778	0.000	1	98.0778	0.000	1	98.0778	0.000	1	98.0778	0.000	1	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:	4:3:3:4:	4:3:3:1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:H-1:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(O){3|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(H){3|C<3>,3|C<4>}	97.8156	0.000	1	97.8156	0.000	1	97.5076	0.190	2	97.5076	0.190	2	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:	4:3:3:4:	4:3:3:1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:H-1:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCCH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(O){1|H<1>,2|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(H){1|H<1>,2|C<3>,3|C<4>}	97.1996	0.000	1	97.1996	0.000	1	97.5076	0.190	2	97.5076	0.190	2	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6,6]-4:C[5,5]-3:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5]-3:C[5,6]-4:H-1:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(O)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(O){2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	98.4621	0.000	1	98.4621	0.000	1	98.4621	0.000	1	98.4621	0.000	1	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:	4:3:4:4:	4:4:3:4:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,6]-4:C[5,5]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:C[5,5]-3:C-4:	C[5,5](C[5,5,6]C[5,6]2C)2(O)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3)	C[5,5,6](C[5,6]C[5,6]C[6a]H)2(C[5,5]C[5,5,6]O)(CH3)	C[5,5](C[5,5,6]C[5,6]2C)2(O){3|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)2(C[5,5]C[5,5,6]O)(CH3){1|C<4>,3|H<1>,5|C<3>}	100.2450	0.000	1	100.2450	0.000	1	100.2450	0.000	1	100.2450	0.000	1	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-3:H-1:	C[5,5](C[5,5,6]C[5,6]2H)2(H)	C[5,5,6](C[5,6]C[5,6]RhC)(C[5,6]C[5,6]RhH)(C[5,5]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]RhH)2(C[5,5]C[5,5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H){1|Rh<10>,1|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]RhC)(C[5,6]C[5,6]RhH)(C[5,5]C[5,5,6]H)(H){3|H<1>}	C[5,5,6](C[5,6]C[5,6]RhH)2(C[5,5]C[5,5,6]H)(H){1|C<3>,2|H<1>}	92.4372	0.000	1	92.4372	0.000	1	92.4372	0.000	1	92.4372	0.000	1	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:3:3:1:	3:3:3:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5]-3:C[5,6]-3:C[5,6]-3:H-1:	C[5,5]-3:C[5,6]-3:C[5,6]-3:H-1:	C[5,5](C[5,5,6]C[5,6]2H)2(CCC)	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)2(H)	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(CCC){4|C<3>}	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)2(H){1|H<1>,2|C<3>}	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)2(H){1|H<1>,2|C<3>}	94.4075	0.353	2	94.4075	0.124	2	94.4075	0.124	2	94.4072	0.130	5	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:3:3:1:	3:3:3:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-3:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-3:H-1:	C[5,5](C[5,5,6]C[5,6,6a]2H)2(CCC)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]C)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]C)(H)	C[5,5](C[5,5,6]C[5,6,6a]2H)2(CCC){4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]C)(H){3|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]C)(H){3|H<1>,4|C<3>}	94.9205	0.000	1	94.9205	0.000	1	94.9205	0.000	1	94.4072	0.130	5	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:3:3:1:	3:3:3:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,6]-3:C[5,5]-3:C[5,6]-3:H-1:	C[5,6]-3:C[5,5]-3:C[5,6]-3:H-1:	C[5,5](C[5,5,6]C[5,6]2H)2(CCC)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(CCC){2|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	94.1502	0.005	2	94.1502	0.000	2	94.1502	0.000	2	94.4072	0.130	5	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5]-3:H-1:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2(CCC)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]C)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]C)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2(CCC){2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]C)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]C)(H){1|O<1>,3|H<1>,4|C<3>}	96.1598	0.356	4	96.1598	0.127	4	96.1598	0.127	4	96.1598	0.127	4	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]2)	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]2){8|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){5|H<1>}	96.1611	0.000	1	96.1611	0.000	1	96.1611	0.000	1	96.1611	0.000	1	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	4:3:3:1:	3:4:3:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[4,5,6]-4:C[5,6,6a]-3:C[5,5]-3:H-1:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-3:H-1:	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(CC[6a]2)	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]C)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]O[4]H)(C[5,5]C[5,5,6]C)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(CC[6a]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]O[4]H)(C[5,5]C[5,5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	96.4990	0.000	1	96.4990	0.000	1	96.4990	0.000	1	96.4990	0.000	1	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	4:3:3:1:	4:3:3:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:H-1:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	96.1604	0.000	1	96.1604	0.000	1	96.1604	0.000	1	96.9952	1.394	2	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	4:3:3:1:	4:3:3:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CCC)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CCC){1|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(H){2|H<1>,8|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(H){1|H<1>,7|C<3>}	97.8301	0.000	1	97.8301	0.000	1	97.8301	0.000	1	96.9952	1.394	2	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	4:3:4:1:	4:3:4:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[3x5,6,6]-4:C[5,5]-3:C[5,6]-4:H-1:	C[3x5,6,6]-4:C[5,5]-3:C[5,6]-4:H-1:	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(CCC)	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(CCC){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	97.8839	0.000	1	97.8839	0.000	1	97.8839	0.000	1	97.5692	0.198	2	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	4:3:4:1:	4:3:4:1:	C[5,5,6]-4:C[5,5,6]-4:C[6]-3:	C[5,5,6,6]-4:C[5,5]-3:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5]-3:C[5,6]-4:H-1:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(C[6]C[6]2)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]C[6])(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]C[6])(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(C[6]C[6]2){2|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]C[6])(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]C[6])(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>,4|H<1>}	97.2546	0.000	1	97.2546	0.000	1	97.2546	0.000	1	97.5692	0.198	2	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5,6]	4:4:4:	3:3:3:4:	3:3:3:4:	C[5,5,6]-4:C[5,5,6]-4:C-4:	C[5,5]-3:C[5,6]-3:C[5,6]-3:C-4:	C[5,5]-3:C[5,6]-3:C[5,6]-3:C-4:	C[5,5](C[5,5,6]C[5,6]2C)2(CH3)	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3)	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3)	C[5,5](C[5,5,6]C[5,6]2C)2(CH3){2|C<4>,2|N<3>}	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3){1|N<3>,2|C<4>}	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3){1|N<3>,2|C<4>}	102.2485	0.432	2	102.2485	0.187	2	102.2485	0.187	2	102.2485	0.187	2	98.3272	4.007	63	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5,5]	4:4:3:	3:4:4:4:	3:4:4:1:	C[5,5,6]-4:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(C[5,6]C[5]N[6]C)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5,5](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|N<3>,5|C<4>,7|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(C[5,6]C[5]N[6]C)(C[5]C[5]HH){1|C<3>,5|C<4>,8|H<1>}	C[5,5](C[5,5]C[5,5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,4|H<1>}	110.5730	0.106	2	110.5730	0.011	2	110.5730	0.011	2	110.5730	0.011	2	110.5730	0.011	2	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5]	4:4:2:	4:4:3:1:	3:4:1:1:	C[5,5,6]-4:C[5]-4:N[5]-2:	C[5,6]-4:C[5,6]-4:C[5,5]-3:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(N[5]O[5])	C[5,5,6](C[5,6]C[5]C[6]N)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H)	C[5](C[5,5]C[5,5,6]N[5])(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(N[5]O[5]){1|N<3>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]N)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H){1|C<3>,1|O<1>,5|H<1>}	C[5](C[5,5]C[5,5,6]N[5])(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	112.2370	0.000	1	112.2370	0.000	1	112.2370	0.000	1	112.2370	0.000	1	109.8249	3.616	8	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5]	4:4:2:	4:4:3:1:	3:4:2:1:	C[5,5,6]-4:C[5]-4:N[5]-2:	C[5,6]-4:C[5,6]-4:C[5,5]-3:H-1:	C[5,5]-3:C[5]-4:O-2:H-1:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HO)(N[5]O[5])	C[5,5,6](C[5,6]C[5]C[6]N)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H)	C[5](C[5,5]C[5,5,6]N[5])(C[5]C[5,6]HH)(OH)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HO)(N[5]O[5]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]N)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H){1|C<3>,2|O<2>,5|H<1>}	C[5](C[5,5]C[5,5,6]N[5])(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	111.8650	0.000	1	111.8650	0.000	1	111.8650	0.000	1	111.8650	0.000	1	109.8249	3.616	8	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5]	4:4:3:	2:3:4:3:	3:4:1:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	O[5,6]-2:C[5,5]-3:C[5]-4:C[6]-3:	C[5,5]-3:C[5,6]-4:H-1:H-1:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]H)	C[5,5,6](O[5,6]C[5,6])(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]O)	C[5](C[5,5]C[5,5,6]C[5])(C[5,6]O[5,6]C[6]H)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]H){1|O<1>,2|C<3>,5|H<1>}	C[5,5,6](O[5,6]C[5,6])(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,7|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(C[5,6]O[5,6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	107.8730	0.000	1	107.8730	0.000	1	107.8730	0.000	1	107.8730	0.000	1	109.8249	3.616	8	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5]	4:4:3:	3:3:4:2:	3:2:4:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6]-3:C[5,5]-3:C[6]-4:N[5]-2:	C[5,5]-3:N[5]-2:C-4:Cl-1:	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]N[5]ClC)(C[5]C[5]Cl)	C[5,5,6](C[5,6]C[6]N[5])(C[5,5]C[5]2)(C[6]C[6]HH)(N[5]C[5])	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6])(CC3)(Cl)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]N[5]ClC)(C[5]C[5]Cl){2|H<1>,3|C<4>}	C[5,5,6](C[5,6]C[6]N[5])(C[5,5]C[5]2)(C[6]C[6]HH)(N[5]C[5]){2|Cl<1>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6])(CC3)(Cl){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>}	107.2350	0.000	1	107.2350	0.000	1	107.2350	0.000	1	107.2350	0.000	1	109.8249	3.616	8	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5]	4:4:3:	4:3:4:3:	3:3:1:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5,5]-3:C[6]-4:C[5]-3:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]N[5]HH)(C[5]C[5]H)	C[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,5]C[5]2)(C[6]O[6]HH)(C[5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6]S)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]N[5]HH)(C[5]C[5]H){1|O<1>,1|O<2>,1|S<3>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,5]C[5]2)(C[6]O[6]HH)(C[5]C[5]C){1|O<1>,1|S<3>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	108.2260	0.000	1	108.2260	0.000	1	108.2260	0.000	1	108.2260	0.000	1	109.8249	3.616	8	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5]	4:4:3:	4:3:4:4:	3:3:1:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5,5]-3:C[5]-4:C[6]-4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]N[5]HH)(C[5]C[5]C)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH)	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5]S)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]N[5]HH)(C[5]C[5]C){1|O<1>,1|S<4>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|S<4>,6|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5]S)(H)2{1|C<3>,2|H<1>,3|C<4>}	109.4680	0.000	1	109.4680	0.000	1	109.4680	0.000	1	109.4680	0.000	1	109.8249	3.616	8	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5]	4:4:3:	4:3:4:4:	3:4:1:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5,5]-3:C[5]-4:C[6]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]C)	C[5,5,6](C[5,6]C[6,6a]C[5]C)(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[6,6a]C[5]C)(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{2|C<3>,4|C<4>}	110.9870	0.000	1	110.9870	0.000	1	110.9870	0.000	1	110.9870	0.000	1	109.8249	3.616	8	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C[5]	4:4:3:	4:3:4:4:	3:4:4:4:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5,5]-3:C[5]-4:C[6]-4:	C[5,5]-3:C[5,6]-4:C-4:C-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)	C[5](C[5,5]C[5,5,6]C[5])(C[5,6]C[5,6]2H)(CH3)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]H){1|O<1>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(C[5,6]C[5,6]2H)(CH3)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	110.7080	0.000	1	110.7080	0.000	1	110.7080	0.000	1	110.7080	0.000	1	109.8249	3.616	8	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[3x5]	4:4:2:	3:3:3:3:	3:4:3:4:	C[3x5]-4:C[5,5]-4:N[5]-2:	N[5,5]-3:C[5,5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5,5]-3:C[5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[6a]C[5])(N[5]C[5])	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5,5]C[5,5]N[5])(C[5]C[5]HH)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[6a]C[5])(N[5]C[5]){1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5,5]C[5,5]N[5])(C[5]C[5]HH){4|H<1>,5|C<3>}	109.6855	0.643	2	109.6855	0.413	2	109.6855	0.413	2	109.6855	0.413	2	109.5497	0.262	3	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[3x5]	4:4:2:	3:3:4:3:	3:4:3:4:	C[3x5]-4:C[5,5]-4:N[5]-2:	N[5,5]-3:C[5,5]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5,5]-3:C[5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[6a]C[5])(N[5]C[5])	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]FF)(C[6a]C[6a]2)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5,5]C[5,5]N[5])(C[5]C[5]HH)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[6a]C[5])(N[5]C[5]){1|N<3>,2|F<1>,5|H<1>,6|C<3>}	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]FF)(C[6a]C[6a]2){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5,5]C[5,5]N[5])(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	109.2780	0.000	1	109.2780	0.000	1	109.2780	0.000	1	109.2780	0.000	1	109.5497	0.262	3	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5,5]	4:4:2:	3:3:4:3:	3:3:3:4:	C[5,5]-4:C[5,5]-4:N[5]-2:	N[5,5]-3:C[5,5]-3:C[5]-4:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:C[5]-4:	C[5,5](C[5,5]N[5,5]C[6a]C[5])(C[5,5]C[6a]C[5]2)(N[5]C[5])	C[5,5](N[5,5]C[5,6a]C[5])(C[5,5]C[5,5]N[5])(C[5]C[5,6a]FF)(C[6a]C[6a]2)	C[5,5](C[5,5]C[5,5]N[5])(C[5]N[5,5]O)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,5]N[5,5]C[6a]C[5])(C[5,5]C[6a]C[5]2)(N[5]C[5]){1|O<1>,2|F<1>,4|H<1>,6|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5,5]C[5,5]N[5])(C[5]C[5,6a]FF)(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,5]N[5])(C[5]N[5,5]O)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	107.5865	0.404	2	107.5865	0.163	2	107.5865	0.163	2	107.5865	0.163	2	110.0936	3.666	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5,5]	4:4:2:	3:4:2:1:	3:4:4:1:	C[5,5]-4:C[5,5]-4:N[5]-2:	C[5,5]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]2H)(N[5]O[5])	C[5,5](C[5,5]C[5,5]N[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]N[5])(C[5]C[5,5]HO)(C[5]O[5]HH)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]2H)(N[5]O[5]){1|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]N[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,5]C[5,5]N[5])(C[5]C[5,5]HO)(C[5]O[5]HH)(H){2|H<1>,2|O<2>}	112.8590	0.000	1	112.8590	0.000	1	112.8590	0.000	1	112.8590	0.000	1	110.0936	3.666	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5,5]	4:4:2:	3:4:4:1:	3:3:4:4:	C[5,5]-4:C[5,5]-4:N[5]-2:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:C[5,5]-3:C[5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2H)(N[5]O[5])	C[5,5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5,5](C[5,5]C[5,5]N[5])2(C[5]C[5]HH)2	C[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2H)(N[5]O[5]){1|N<2>,4|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]N[5])2(C[5]C[5]HH)2{2|C<4>,2|O<2>,6|H<1>}	111.1620	0.000	1	111.1620	0.000	1	111.1620	0.000	1	111.1620	0.000	1	110.0936	3.666	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5,5]	4:4:3:	3:4:4:1:	3:3:4:3:	C[5,5]-4:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-3:C[5]-3:C[5]-4:C-3:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]C)	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]O)(C[5]C[5]HH)(COO)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]C){1|O<1>,2|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]O)(C[5]C[5]HH)(COO){3|C<4>,4|H<1>}	110.4450	0.011	2	110.4450	0.000	2	110.4450	0.000	2	110.4450	0.000	2	110.0936	3.666	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5,5]	4:4:3:	4:3:4:4:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-3:	C[5,6]-4:C[5,5]-3:C[5]-4:C[5]-4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5](C[5,5]C[5,6]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]Cl)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HO)	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]Cl){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HO){1|Cl<1>,1|C<3>,3|C<4>,8|H<1>}	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(C[5]C[5]HH)(H){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	110.5710	0.000	1	110.5710	0.000	1	110.5710	0.000	1	110.5710	0.000	1	110.0936	3.666	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5]	3:4:4:	3:4:4:1:	3:2:4:1:	C[5]-3:C[5,5]-4:C[5]-4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:O[5]-2:C-4:H-1:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]O[5]CH)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(H)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]O[5]CH){1|O<1>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	108.2240	0.000	1	108.2240	0.000	1	108.2240	0.000	1	108.2240	0.000	1	109.1743	3.044	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5]	3:4:4:	3:4:4:4:	3:2:1:1:	C[5]-3:C[5,5]-4:C[5]-4:	C[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5,5]-3:O[5]-2:H-1:H-1:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]HH)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(CH3)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(H)2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]HH){4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(CH3){2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(H)2{1|C<3>,2|H<1>,3|C<4>}	107.7620	0.000	1	107.7620	0.000	1	107.7620	0.000	1	107.7620	0.000	1	109.1743	3.044	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5]	3:4:4:	3:4:4:4:	3:3:1:1:	C[5]-3:C[5,5]-4:C[5]-4:	C[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]N[5]HH)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCHH)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCHH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2{1|C<3>,2|H<1>,3|C<4>}	109.2350	0.993	2	109.2350	0.986	2	109.2350	0.986	2	109.2350	0.986	2	109.1743	3.044	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5]	3:4:4:	4:3:3:1:	3:4:1:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-3:N[5]-3:H-1:	C[5,5]-3:C[5,6]-4:H-1:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)	C[5,5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH){2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(H){2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	111.2390	0.000	1	111.2390	0.000	1	111.2390	0.000	1	111.2390	0.000	1	109.1743	3.044	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5]	4:3:4:	3:3:4:4:	3:4:1:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5,5]-3:C[5]-4:C-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]CC)(CCCH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])(C[5]C[5]HH){1|H<1>,2|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]CC)(CCCH){4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2{3|C<3>,3|C<4>}	110.6990	0.000	1	110.6990	0.000	1	110.6990	0.000	1	110.6990	0.000	1	109.1743	3.044	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5]	4:3:4:	3:4:2:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])(C[5]N[5]HH)	C[5,5](C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	107.7270	0.000	1	107.7270	0.000	1	107.7270	0.000	1	107.7270	0.000	1	109.1743	3.044	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5]	4:3:4:	3:4:3:1:	3:4:4:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[5,5]-3:H-1:	C[5,5]-3:C[5]-4:C-4:H-1:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCHH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(C[5]C[5]CH){1|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCHH)(H){2|H<1>,4|C<3>}	110.5233	1.450	4	110.5233	2.103	4	110.5233	2.103	4	110.5233	2.103	4	109.1743	3.044	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5]	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C[5]-4:	B[5]-4:C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,5](C[5,5]B[5]C[5]H)(C[5]C[6a]C[5])(C[5]N[5]HH)	C[5,5](B[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]N[5]H)(H)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2	C[5,5](C[5,5]B[5]C[5]H)(C[5]C[6a]C[5])(C[5]N[5]HH){1|C<4>,2|H<1>,5|C<3>}	C[5,5](B[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]N[5]H)(H){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	108.9065	0.366	2	108.9065	0.134	2	108.9065	0.134	2	108.9065	0.134	2	109.1743	3.044	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5]	4:3:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:C[5,5]-3:C[5]-4:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[5]O)(C[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]H)(C[5]C[5]HH){1|O<2>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]O)(C[5,5]C[5]2)(C[5]C[5]HH)(H){2|C<3>,7|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	110.1220	0.000	1	110.1220	0.000	1	110.1220	0.000	1	110.0635	0.007	2	109.1743	3.044	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5]	4:3:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:C[5,5]-3:C[5]-4:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]H)(C[5]C[5]HH)	C[5,5](C[5]C[5,6]CH)(C[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]H)(C[5]C[5]HH){1|C<3>,2|O<2>,5|H<1>}	C[5,5](C[5]C[5,6]CH)(C[5,5]C[5]2)(C[5]C[5]HH)(H){2|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	110.0050	0.000	1	110.0050	0.000	1	110.0050	0.000	1	110.0635	0.007	2	109.1743	3.044	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5]	4:4:2:	3:3:4:2:	3:2:1:1:	C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5,5]-3:O[5]-2:H-1:H-1:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]O[5]HH)(O[5]C[5])	C[5,5](C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])	C[5](C[5,5]C[5,5]O[5])(O[5]C[5])(H)2	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]O[5]HH)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]O[5])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	103.9310	0.000	1	103.9310	0.000	1	103.9310	0.000	1	103.9310	0.000	1	109.1743	3.044	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:3:4:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5a]-3:C[5,5]-3:C[5]-4:H-1:	N[5,5a]-3:C[5,5]-3:H-1:H-1:	C[5,5](C[5,5]C[5,5a]C[5]H)(C[5]N[5,5a]HH)(C[5]C[5]C)	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2)(C[5]C[5]CC)(H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5])(H)2	C[5,5](C[5,5]C[5,5a]C[5]H)(C[5]N[5,5a]HH)(C[5]C[5]C){1|C<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2)(C[5]C[5]CC)(H){3|C<3>,5|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5])(H)2{2|C<4>,2|H<1>,3|C<3>}	111.1472	0.066	4	111.1472	0.004	4	111.1472	0.004	4	111.1472	0.004	4	109.1743	3.044	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5a]-3:C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Au<2>,1|N<3>,3|C<3>,4|H<1>}	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Au<2>,1|C<4>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	108.0730	0.000	1	107.2171	0.314	7	107.2171	0.314	7	107.2171	0.314	7	109.1743	3.044	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5a]-3:C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|N<3>,1|S<1>,3|C<3>,4|H<1>}	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|C<4>,1|S<1>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	107.1515	0.730	2	107.2171	0.314	7	107.2171	0.314	7	107.2171	0.314	7	109.1743	3.044	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5a]-3:C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,1|C<4>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	107.0360	0.399	4	107.2171	0.314	7	107.2171	0.314	7	107.2171	0.314	7	109.1743	3.044	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]H)	C[5,5](C[5,5]C[5]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]H){1|C<4>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	109.1070	0.000	1	109.1070	0.000	1	109.1070	0.000	1	109.1070	0.000	1	109.1743	3.044	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:3:1:	3:3:3:3:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5a]-3:C[5,5,6]-4:C[5,5]-3:H-1:	N[5,5a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,5,6]N[5,5a]H)(C[5]N[5,5a]C[6a]2)(C[5]C[5,5,6]H)	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5,6]C[5,5,6]2H)(C[5,5]C[5]2)(H)	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2	C[5,5](C[5,5]C[5,5,6]N[5,5a]H)(C[5]N[5,5a]C[6a]2)(C[5]C[5,5,6]H){2|C<4>,2|H<1>,6|C<3>}	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5,6]C[5,5,6]2H)(C[5,5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2{1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	111.4380	0.000	1	111.4380	0.000	1	111.4380	0.000	1	111.4380	0.000	1	109.1743	3.044	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:3:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]C[5]H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]C[5]H){1|C<3>,1|S<4>,5|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	108.7223	0.414	3	108.7223	0.171	3	108.7223	0.171	3	108.7223	0.171	3	109.1743	3.044	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C){1|C<3>,1|O<1>,1|S<4>,3|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,1|S<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	108.6720	0.000	1	108.6720	0.000	1	108.6720	0.000	1	108.6720	0.000	1	109.1743	3.044	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	109.0100	0.000	1	109.0100	0.000	1	109.0100	0.000	1	109.0100	0.000	1	109.1743	3.044	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:3:	3:3:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(C[5]C[5]H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCH)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(C[5]C[5]H){1|S<4>,6|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCH){1|S<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	110.6475	0.452	2	110.6475	0.204	2	110.6475	0.204	2	110.6475	0.204	2	109.1743	3.044	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	4:3:4:3:	3:3:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5,5]-3:C[5]-4:C-3:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(C[5]S[5]H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2)(C[5]S[5]HH)(COO)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(C[5]S[5]H){1|C<3>,1|S<4>,3|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2)(C[5]S[5]HH)(COO){1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	109.8695	0.975	2	109.8695	0.951	2	109.8695	0.951	2	109.8695	0.951	2	109.1743	3.044	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,6,6]	C[5,5]	4:4:3:	4:3:4:4:	3:4:4:1:	C[5,6,6]-4:C[5,5]-4:C[5]-3:	C[5,6,6]-4:C[5,5]-3:C[6,6]-4:C[5]-4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|N<3>,4|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>,8|C<4>}	C[5,5](C[5,5]C[5,6,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,4|H<1>}	110.2060	0.000	1	110.2060	0.000	1	110.5765	0.275	2	110.5765	0.275	2	110.5765	0.275	2	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,6,6]	C[5,5]	4:4:3:	4:3:4:4:	3:4:4:1:	C[5,6,6]-4:C[5,5]-4:C[5]-3:	C[5,6,6]-4:C[5,5]-3:C[6,6]-4:C[5]-4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,6,6](C[5,6,6]C[5,6]N[5,6]O)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|N<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,6]N[5,6]O)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>,8|C<4>}	C[5,5](C[5,5]C[5,6,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,4|H<1>}	110.9470	0.000	1	110.9470	0.000	1	110.5765	0.275	2	110.5765	0.275	2	110.5765	0.275	2	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,6]	C[5,5]	4:3:4:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[5]-3:C[5,5]-4:	C[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5a]C[5])(C[5,5]C[5]2H)	C[5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5a]C[5])(C[5,5]C[5]2H){1|C<4>,1|O<1>,1|S<2>,3|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.2905	0.120	4	110.2905	0.014	4	110.1558	0.102	5	110.1558	0.102	5	109.7348	1.237	12	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,6]	C[5,5]	4:3:4:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[5]-3:C[5,5]-4:	C[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5])(C[5,5]C[5]2H)	C[5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5])(C[5,5]C[5]2H){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	109.6170	0.000	1	109.6170	0.000	1	110.1558	0.102	5	110.1558	0.102	5	109.7348	1.237	12	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,6]	C[5,5]	4:4:2:	4:3:3:1:	3:4:4:1:	C[5,6]-4:C[5,5]-4:N[5]-2:	C[5,6]-4:C[5,5]-3:N[5,6]-3:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5](C[5,6]C[5,6]N[5,6]H)(C[5,5]C[5]2H)(N[5]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]N[5])(N[5,6]C[5]C[6])(H)	C[5,5](C[5,5]C[5,6]N[5])(C[5]N[5,6]HH)(C[5]O[5]HH)(H)	C[5,5](C[5,6]C[5,6]N[5,6]H)(C[5,5]C[5]2H)(N[5]O[5]){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]N[5])(N[5,6]C[5]C[6])(H){2|O<2>,3|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,6]N[5])(C[5]N[5,6]HH)(C[5]O[5]HH)(H){1|H<1>,2|C<4>}	110.4630	0.000	1	110.4630	0.000	1	110.4630	0.000	1	110.4630	0.000	1	109.7348	1.237	12	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,6]	C[5,5]	4:4:3:	3:4:4:4:	3:4:4:1:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,5]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,6](C[5,5]C[5,5]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(C[6]N[6]HH)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,5]C[5,5]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,2|C<3>,6|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>}	109.6790	0.000	1	109.6790	0.000	1	109.6790	0.000	1	109.6790	0.000	1	109.7348	1.237	12	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,6]	C[5,5]	4:4:3:	4:3:3:4:	3:4:4:1:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,6]-4:C[5,5]-3:C[6]-3:C[5]-4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5])(C[6]C[6,6]O)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5])(C[6]C[6,6]O)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>,7|C<4>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	110.1370	0.000	1	110.1370	0.000	1	110.1370	0.000	1	110.8440	1.000	2	109.7348	1.237	12	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,6]	C[5,5]	4:4:3:	4:3:3:4:	3:4:4:1:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[6,6]-4:C[5,5]-3:C[6]-3:C[5]-4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5]C[5])(C[6]C[5,6]O)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5]C[5])(C[6]C[5,6]O)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>,7|C<4>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	111.5510	0.000	1	111.5510	0.000	1	111.5510	0.000	1	110.8440	1.000	2	109.7348	1.237	12	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5,6]	C[5,5]	4:4:3:	4:3:4:4:	3:4:2:1:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,6]-4:C[5,5]-3:C[6]-4:C-4:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]C)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]C[5])(C[6]C[6,6]CH)(CH3)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5,6])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]C){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]C[5])(C[6]C[6,6]CH)(CH3){1|O<2>,2|H<1>,6|C<4>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5,6])(H){1|C<3>,2|H<1>,4|C<4>}	108.0697	0.060	3	108.0697	0.004	3	108.0697	0.004	3	108.0697	0.004	3	109.7348	1.237	12	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5]	C[5,5]	4:4:2:	3:3:4:1:	3:4:4:1:	C[5]-4:C[5,5]-4:N[5]-2:	C[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(N[5]O[5])	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(N[5]O[5]){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|C<4>,2|C<3>,3|O<2>,6|H<1>}	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|H<1>}	112.7020	0.000	1	112.7020	0.000	1	112.7020	0.000	1	112.7020	0.000	1	110.2400	4.778	3	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5]	C[5,5]	4:4:3:	3:4:1:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)2(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)2(H){1|O<1>,2|C<3>,3|H<1>}	109.4910	0.000	1	109.4910	0.000	1	109.4910	0.000	1	109.4910	0.000	1	110.2400	4.778	3	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5]	C[5,5]	4:4:3:	4:3:1:1:	3:3:2:2:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-3:H-1:H-1:	N[5]-3:C[5,5]-3:O[5]-2:O-2:	C[5,5](C[5,5]N[5]O[5]O)(C[5]C[5,5]HH)(C[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,5]C[5,5]C[5])(H)2	C[5,5](N[5]C[5]C[6])(C[5,5]C[5]2)(O[5]C[5,5])(OC)	C[5,5](C[5,5]N[5]O[5]O)(C[5]C[5,5]HH)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,5]C[5,5]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>,2|N<3>,3|C<3>}	C[5,5](N[5]C[5]C[6])(C[5,5]C[5]2)(O[5]C[5,5])(OC){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	108.5270	0.000	1	108.5270	0.000	1	108.5270	0.000	1	108.5270	0.000	1	110.2400	4.778	3	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C[5,5]-3:	C[5,5]-3:C[5]-4:Br-1:H-1:	C[5,5]-3:C[5]-4:Br-1:H-1:	C[5,5](C[5]C[5]BrH)2(C[5,5]C[5]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)(H)	C[5,5](C[5]C[5]BrH)2(C[5,5]C[5]2){4|Br<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)(H){2|Br<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)(H){2|Br<1>,2|C<4>,2|H<1>}	136.8970	0.000	1	136.8970	0.000	1	136.8970	0.000	1	136.8970	0.000	1	136.8970	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,3x6]	C[5,3x6]	4:4:3:	3:3:4:4:	3:4:3:4:	C[5,3x6]-4:C[5,3x6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,3x6]-4:C[6]-4:	C[5,6,6]-3:C[5,3x6]-4:C[5,6,6a]-3:C[6]-4:	C[5,6,6](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])2(C[5,6,6]C[5,6,6a]2)	C[5,3x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH)	C[5,3x6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[5,6,6a]C[5,6,6a]2)(C[6]C[6,6a]HH)	C[5,6,6](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])2(C[5,6,6]C[5,6,6a]2){10|C<3>,2|C<4>,4|H<1>}	C[5,3x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH){2|C<4>,2|H<1>,9|C<3>}	C[5,3x6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[5,6,6a]C[5,6,6a]2)(C[6]C[6,6a]HH){2|C<4>,2|H<1>,9|C<3>}	111.1200	0.000	1	111.1200	0.000	1	111.1200	0.000	1	111.1200	0.000	1	111.1200	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:3:4:	3:3:3:3:	3:2:1:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C[5]-3:	C[5,6,6]-3:O[5]-2:H-1:H-1:	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[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]O[5]O)	C[5](C[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(H)2	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>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]O[5]O){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	107.7210	0.000	1	107.7610	0.003	2	107.7610	0.003	2	107.7610	0.003	2	110.2506	7.201	5	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:3:4:	3:3:3:3:	3:2:1:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C[5]-3:	C[5,6,6]-3:O[5]-2:H-1:H-1:	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[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]O[5]O)	C[5](C[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(H)2	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>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]O[5]O){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	107.8010	0.000	1	107.7610	0.003	2	107.7610	0.003	2	107.7610	0.003	2	110.2506	7.201	5	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:3:4:	3:3:3:4:	3:2:1:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C[5]-4:	C[5,6,6]-3:S[5]-2:H-1:H-1:	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[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]S[5]HH)	C[5](C[5,6,6]C[5,3x6]C[6,6])(S[5]C[5])(H)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){2|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]S[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(S[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	113.8500	0.000	1	113.8500	0.000	1	113.8500	0.000	1	113.8500	0.000	1	110.2506	7.201	5	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:3:4:	3:4:4:4:	3:3:1:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-3:N[5]-3:H-1: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)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)2(C[5]N[5]HH)	C[5](C[5,6,6]C[5,3x6]C[6,6])(N[5]C[5]S)(H)2	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>}	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)2(C[5]N[5]HH){1|S<4>,2|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(N[5]C[5]S)(H)2{2|H<1>,4|C<4>}	109.8230	0.000	1	109.8230	0.000	1	109.8230	0.000	1	109.8230	0.000	1	110.2506	7.201	5	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:3:4:	3:4:4:4:	3:4:2:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-3:C[5,6]-4:C[6,6]-4:C[6,6]-4:	C[5,6,6]-3:C[5]-4:O-2: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)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[5,6]HH)(OH)(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){1|N<3>,4|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[5,6]HH)(OH)(H){1|H<1>,5|C<4>}	112.0580	0.000	1	112.0580	0.000	1	112.0580	0.000	1	112.0580	0.000	1	110.2506	7.201	5	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,5,3x6]	C[5,5,3x6]	4:4:3:	4:3:4:3:	4:3:4:3:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,6,6]-3:	C[5,5,3x6]-4:C[5,6,6]-3:C[5,5,6]-4:C[5,6,6a]-3:	C[5,5,3x6]-4:C[5,6,6]-3:C[5,5,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])2(C[5,6,6]C[5,6,6a]2)	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6]C[5,5,3x6]C[5,6,6])(C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,6,6a]2)	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6]C[5,5,3x6]C[5,6,6])(C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])2(C[5,6,6]C[5,6,6a]2){10|C<3>,6|C<4>}	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6]C[5,5,3x6]C[5,6,6])(C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,6,6a]2){2|C<4>,3|H<1>,9|C<3>}	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6]C[5,5,3x6]C[5,6,6])(C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,6,6a]2){2|C<4>,3|H<1>,9|C<3>}	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,5,6,6]	C[5,5,6,6]	4:4:1:	4:4:3:4:	4:4:3:1:	C[5,5,6,6]-4:C[5,5,6,6]-4:O-1:	C[3x5,6]-4:C[5,5,6]-4:C[5,6,6]-3:C-4:	C[3x5,6]-4:C[3,5,6]-4:C[5,6,6]-3:H-1:	C[5,6,6](C[5,5,6,6]C[3,5,6]C[3x5,6]H)(C[5,5,6,6]C[3x5,6]C[5,5,6]C)(O)	C[5,5,6,6](C[3x5,6]C[3,5,6]C[3x5,6]H)(C[5,5,6]C[5,5,6]O[5]C)(C[5,6,6]C[5,5,6,6]O)(CH3)	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]C)(C[3,5,6]C[3,5,6]C[3]H)(C[5,6,6]C[5,5,6,6]O)(H)	C[5,6,6](C[5,5,6,6]C[3,5,6]C[3x5,6]H)(C[5,5,6,6]C[3x5,6]C[5,5,6]C)(O){1|O<2>,2|H<1>,5|C<4>}	C[5,5,6,6](C[3x5,6]C[3,5,6]C[3x5,6]H)(C[5,5,6]C[5,5,6]O[5]C)(C[5,6,6]C[5,5,6,6]O)(CH3){3|H<1>,5|C<4>}	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]C)(C[3,5,6]C[3,5,6]C[3]H)(C[5,6,6]C[5,5,6,6]O)(H){3|C<4>,5|H<1>}	105.5890	0.000	1	105.5890	0.000	1	105.5890	0.000	1	105.5890	0.000	1	105.5890	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6,6]	4:4:3:	3:3:4:4:	3:4:4:2:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6]-3:N[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	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[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(N[5,6,6]C[5,3x6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	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>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(N[5,6,6]C[5,3x6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|C<3>,1|O<2>,6|C<4>,9|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	102.9607	0.107	3	102.9607	0.012	3	102.9607	0.012	3	102.9607	0.012	3	103.4383	0.297	6	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6,6]	4:4:3:	4:3:4:4:	3:4:4:2:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	N[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	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[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	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<1>,6|C<4>,6|H<1>}	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|O<2>,2|C<3>,5|C<4>,9|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|N<4>,2|C<3>,3|C<4>,4|H<1>}	103.7650	0.000	1	103.9160	0.045	3	103.9160	0.045	3	103.9160	0.045	3	103.4383	0.297	6	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6,6]	4:4:3:	4:3:4:4:	3:4:4:2:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	N[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	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[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	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>}	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|C<3>,1|O<2>,6|C<4>,9|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<4>,4|C<4>,4|H<1>}	103.9915	0.238	2	103.9160	0.045	3	103.9160	0.045	3	103.9160	0.045	3	103.4383	0.297	6	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6]	4:4:2:	3:4:4:1:	4:3:2:1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,3|H<1>,5|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H){1|O<1>,3|H<1>,4|C<4>}	105.9027	0.230	3	105.9027	0.053	3	105.9027	0.053	3	105.9027	0.053	3	106.4147	0.373	6	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6]	4:4:2:	3:4:4:4:	4:3:2:1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|O<2>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H){1|O<1>,2|H<1>,5|C<4>}	106.9267	0.306	3	106.9267	0.094	3	106.9267	0.094	3	106.9267	0.094	3	106.4147	0.373	6	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,5,6]	C[5,6]	4:4:3:	3:4:2:4:	3:4:4:4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-3:	C[5,6,6]-3:C[5,6]-4:O[5]-2:C[5]-4:	C[5,6,6]-3:C[5]-4:C[6]-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)	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC)	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HH)(CH3)	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>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC){3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>}	109.8170	0.013	2	109.8170	0.000	2	109.4157	0.483	3	109.4157	0.483	3	109.4157	0.483	3	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,5,6]	C[5,6]	4:4:3:	3:4:2:4:	3:4:4:4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-3:	C[5,6,6]-3:C[5,6]-4:O[5]-2:C[5]-4:	C[5,6,6]-3:C[5]-4:C[6]-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)	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC)	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HO)(CH3)	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>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC){2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HO)(CH3){1|O<2>,5|C<4>}	108.6130	0.000	1	108.6130	0.000	1	109.4157	0.483	3	109.4157	0.483	3	109.4157	0.483	3	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,5,6]	4:3:4:	4:4:3:1:	3:3:4:1:	C[5,5,6]-4:C[3x6]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,5,6]-4:Cl-1:	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[5,6,6](C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[3x6])(Cl)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,5,6]C[5,6,6]2Cl)(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){4|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[3x6])(Cl){3|Cl<1>,3|C<4>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,5,6]C[5,6,6]2Cl)(Cl){3|Cl<1>,3|C<4>,4|C<3>}	109.9450	0.000	1	109.9450	0.000	1	109.9450	0.000	1	109.9450	0.000	1	108.0400	7.258	2	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,5,6]	4:4:3:	4:3:4:1:	4:3:4:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:	C[5,5,3x6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-3:C[5,6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,3x6]C[6]H)(C[6]C[4,6]H)	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[5,5,6]C[6])(C[6]C[4,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,3x6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,3x6]C[6]H)(C[6]C[4,6]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[5,5,6]C[6])(C[6]C[4,6]HH)(H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,3x6]HH)(H){1|C<3>,3|H<1>,5|C<4>}	106.1350	0.000	1	106.1350	0.000	1	106.1350	0.000	1	106.1350	0.000	1	108.0400	7.258	2	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:4:	4:3:3:1:	3:3:3:1:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)2	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2(Cl)	C[5,6,6](C[5,6,6]C[5,6,6]2)3(Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)2{2|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3(Cl){3|Cl<1>,4|C<3>,4|C<4>}	111.1910	0.000	1	111.1910	0.000	1	111.1910	0.000	1	111.1910	0.000	1	110.6111	4.950	15	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:1:	3:3:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)2(C[5,6,6]C[5,6,6]2){2|Cl<1>,8|C<3>}	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,3|C<4>,5|C<3>}	112.4235	0.421	2	112.4235	0.177	2	111.9580	0.415	4	111.6312	0.507	6	110.6111	4.950	15	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:1:	3:3:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)2(C[5,6,6]C[5,6,6]2){2|Cl<1>,8|C<3>}	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,3|C<4>,5|C<3>}	111.4925	0.448	2	111.4925	0.200	2	111.9580	0.415	4	111.6312	0.507	6	110.6111	4.950	15	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:1:	3:3:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)2(Cl)	C[5,6,6](C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)2(Cl)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)2(C[5,6,6]C[5,6,6]2){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6](C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,4|C<3>,4|C<4>}	110.9775	0.090	2	110.9775	0.008	2	110.9775	0.008	2	111.6312	0.507	6	110.6111	4.950	15	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	3:3:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[3x6]C[5,6,6]C[3x6])	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[3x6]C[5,6,6]C[3x6]){2|C<4>,7|C<3>}	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,6|C<3>}	108.8980	0.000	1	108.8980	0.000	1	108.8980	0.000	1	110.6704	1.587	7	110.6111	4.950	15	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	3:3:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6]2C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3)	C[5,6,6](C[5,6,6]C[5,6,6]2C)2(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3){4|C<3>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3){5|C<3>,6|C<4>}	109.5350	0.000	1	109.5350	0.000	1	109.5350	0.000	1	110.6704	1.587	7	110.6111	4.950	15	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	3:3:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,6|C<3>}	109.6490	0.000	1	109.6490	0.000	1	109.6490	0.000	1	110.6704	1.587	7	110.6111	4.950	15	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	3:3:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	111.5020	0.000	1	111.5020	0.000	1	111.6883	0.086	3	110.6704	1.587	7	110.6111	4.950	15	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	3:3:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	112.0270	0.000	1	112.0270	0.000	1	111.6883	0.086	3	110.6704	1.587	7	110.6111	4.950	15	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	3:3:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	111.5360	0.000	1	111.5360	0.000	1	111.6883	0.086	3	110.6704	1.587	7	110.6111	4.950	15	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	3:3:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	111.5460	0.000	1	111.5460	0.000	1	111.5460	0.000	1	110.6704	1.587	7	110.6111	4.950	15	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:4:4:4:	3:4:3:2:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-3:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	103.4950	0.000	1	103.4950	0.000	1	103.4950	0.000	1	103.4950	0.000	1	110.6111	4.950	15	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6]	4:4:3:	3:4:4:4:	3:4:2:1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,4|H<1>}	102.8560	0.024	2	102.8560	0.001	2	102.8560	0.001	2	104.7473	10.732	3	104.7473	10.732	3	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6]	4:4:3:	3:4:4:4:	3:4:2:1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-3:C[6]-4:S[5]-2:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]S[5]H)(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]S[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(S[5]C[5])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]S[5]H)(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]S[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(S[5]C[5])(H){1|C<3>,3|C<4>,4|H<1>}	108.5300	0.000	1	108.5300	0.000	1	108.5300	0.000	1	104.7473	10.732	3	104.7473	10.732	3	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6,6]	C[5,6]	C[5,6]	3:4:4:	3:4:4:4:	3:4:4:2:	C[6,6]-3:C[5,6]-4:C[5,6]-4:	C[5,6,6]-3:C[3,5]-4:C[6]-4:C-4:	C[5,6,6]-3:C[3,5]-4:C[6]-4:O-2:	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[3,5]C[6]C)(C[5,6]C[3,5]C[6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH)(OH)	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[3,5]C[6]C)(C[5,6]C[3,5]C[6]O){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH)(OH){1|C<3>,4|C<4>,4|H<1>}	113.5840	0.000	1	113.5840	0.000	1	113.5840	0.000	1	113.5840	0.000	1	113.5840	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[3x5,6]	C[5,5,6]	4:4:1:	4:3:3:2:	4:3:4:1:	C[3x5,6]-4:C[5,5,6]-4:O-1:	C[3x5,6]-4:C[5,6]-3:N[5,5]-3:O[5]-2:	C[5,5]-4:C[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[3x5,6]C[3x5,6]N[5,5]O[5])(C[5,5,6]C[5,5]C[5,6]H)(O)	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]O)(N[5,5]C[5]S[5])(O[5]C[5])	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[3x5,6]O)(C[5,6]C[5,6]HH)(H)	C[5,6](C[3x5,6]C[3x5,6]N[5,5]O[5])(C[5,5,6]C[5,5]C[5,6]H)(O){1|S<4>,2|H<1>,6|C<4>}	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]O)(N[5,5]C[5]S[5])(O[5]C[5]){2|O<1>,3|C<4>,9|H<1>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[3x5,6]O)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	105.1110	0.000	1	105.1110	0.000	1	105.1110	0.000	1	105.1110	0.000	1	105.1110	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,3x6]	C[5,5,6]	4:4:1:	4:4:3:1:	4:4:3:4:	C[5,3x6]-4:C[5,5,6]-4:O-1:	C[5,3x6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,3x6]C[5,5,6,6]C[5,3x6]H)(C[5,5,6]C[3x5,6]C[5,6]C)(O)	C[5,3x6](C[5,3x6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[5,5,6]O)(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,3x6]O)(CH3)	C[5,6](C[5,3x6]C[5,5,6,6]C[5,3x6]H)(C[5,5,6]C[3x5,6]C[5,6]C)(O){1|O<2>,4|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[5,5,6]O)(H){1|C<3>,4|C<4>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,3x6]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	105.2080	0.000	1	105.2080	0.000	1	105.2080	0.000	1	105.2080	0.000	1	105.2080	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,3x6]	C[5]	4:4:3:	4:4:3:4:	3:4:1:1:	C[5,3x6]-4:C[5]-4:C[6]-3:	C[3x6]-4:N[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5,3x6](C[3x6]C[6,6]C[6]H)(N[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5](C[5,6]C[5,3x6]C[6])(C[5]N[5,6]HH)(H)2	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O){1|O<1>,4|C<4>,6|H<1>}	C[5,3x6](C[3x6]C[6,6]C[6]H)(N[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH){10|H<1>,1|C<3>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,3x6]C[6])(C[5]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	109.9230	0.000	1	109.9230	0.000	1	109.9230	0.000	1	109.9230	0.000	1	107.5070	11.674	2	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,3x6]	C[5]	4:4:4:	4:3:3:3:	4:3:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:	C[5,5,3x6]-4:C[5,6]-3:C[6,6]-3:C[6]-3:	C[5,5,6,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[5]C[5,5,6,6]HH)(C[6]C[6,6a]CC)	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6])(C[6,6]C[3x6]O)(C[6]C[6,6a]O)	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5,6]C[5,3x6]C[6])(H)2	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[5]C[5,5,6,6]HH)(C[6]C[6,6a]CC){3|C<3>,3|C<4>,3|O<1>}	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6])(C[6,6]C[3x6]O)(C[6]C[6,6a]O){2|H<1>,3|C<3>,7|C<4>}	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5,6]C[5,3x6]C[6])(H)2{2|H<1>,2|O<1>,3|C<3>,5|C<4>}	105.0910	0.000	1	105.0910	0.000	1	105.0910	0.000	1	105.0910	0.000	1	107.5070	11.674	2	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,3x6]	C[5,6]	4:4:1:	4:4:2:3:	4:3:1:1:	C[5,5,3x6]-4:C[5,6]-4:O-1:	C[5,5,3x6]-4:C[6,6]-4:O[5,6]-2:C[5,6]-3:	C[5,5,6,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,3x6]C[5,5,3x6]C[6,6]O[5,6])(C[5,6]C[5,5,6,6]HH)(O)	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5,6]C[5,6,6])(C[5,6]C[5,6]O)	C[5,6](C[5,5,6,6]C[5,5,3x6]C[5,6,6]C[6])(C[5,6]C[5,5,3x6]O)(H)2	C[5,6](C[5,5,3x6]C[5,5,3x6]C[6,6]O[5,6])(C[5,6]C[5,5,6,6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5,6]C[5,6,6])(C[5,6]C[5,6]O){2|C<3>,2|C<4>,8|H<1>}	C[5,6](C[5,5,6,6]C[5,5,3x6]C[5,6,6]C[6])(C[5,6]C[5,5,3x6]O)(H)2{1|H<1>,1|O<1>,1|O<2>,5|C<4>}	105.2960	0.000	1	105.2960	0.000	1	105.2960	0.000	1	105.2960	0.000	1	105.2960	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[5,5,6]	4:4:1:	4:3:3:2:	3:4:4:1:	C[5,5,6,6]-4:C[5,5,6]-4:O-1:	C[3x5,6]-4:C[5,6]-3:N[5,6]-3:O[6]-2:	C[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6](C[5,5,6,6]C[3x5,6]N[5,6]O[6])(C[5,5,6]C[5,5]C[5,6]H)(O)	C[5,5,6,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]O)(N[5,6]C[6]S[5])(O[6]C[6])	C[5,5,6](C[5,6]C[5,5,6,6]O)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6,6]C[3x5,6]N[5,6]O[6])(C[5,5,6]C[5,5]C[5,6]H)(O){1|S<4>,2|H<1>,6|C<4>}	C[5,5,6,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]O)(N[5,6]C[6]S[5])(O[6]C[6]){2|O<1>,4|C<4>,9|H<1>}	C[5,5,6](C[5,6]C[5,5,6,6]O)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	104.9850	0.000	1	104.9850	0.000	1	104.9850	0.000	1	104.9850	0.000	1	104.9850	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:4:3:	4:4:3:3:	3:3:4:4:	C[5,5,6,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:C[3x6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[3x6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5,5,6,6](C[5,5,6]C[5]2O[6])(C[3x6]C[6,6]2C)(C[5,6]C[5,6]C)(C[5]O[5]O)	C[5,6](C[5,6]C[5,5,6,6]C)(C[5]C[5,5,6]O)(C[6]C[6,6]HH)(CH3)	C[5,6](C[5,5,6,6]C[5,5,6]C[3x6]C[5])(C[5,6]C[5]C[6]C)(CHH){2|H<1>,2|O<1>,2|O<2>,4|C<4>}	C[5,5,6,6](C[5,5,6]C[5]2O[6])(C[3x6]C[6,6]2C)(C[5,6]C[5,6]C)(C[5]O[5]O){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6,6]C)(C[5]C[5,5,6]O)(C[6]C[6,6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>}	103.5630	0.000	1	103.5630	0.000	1	103.5630	0.000	1	103.5630	0.000	1	103.5630	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6,6]	4:4:1:	4:3:3:1:	4:3:4:4:	C[5,6,6]-4:C[5,5,6]-4:O-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]H)(O)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]C)(H)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]H)(O){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,7|H<1>}	106.6970	0.000	1	106.6970	0.000	1	106.6970	0.000	1	106.6970	0.000	1	105.8737	1.204	3	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6,6]	4:4:1:	4:3:4:3:	4:4:3:2:	C[5,5,6]-4:C[5,6,6]-4:O-1:	C[5,5]-4:C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[6,6]-4:C[5,6]-3:O-2:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]O)(O)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6,6]O)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(OC)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]O)(O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6,6]O)(C[5]C[5]HH)(C[6]C[6]H){1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(OC){1|C<3>,3|C<4>,4|H<1>}	104.6280	0.000	1	104.6280	0.000	1	104.6280	0.000	1	104.6280	0.000	1	105.8737	1.204	3	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6,6]	4:4:1:	4:4:3:1:	4:3:4:3:	C[5,6,6]-4:C[5,5,6]-4:O-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]H)(O)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]O)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]O)(C[6]C[6]HO)(COO)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]H)(O){1|O<2>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]O)(C[6]C[6]HO)(COO){2|C<4>,6|H<1>}	106.2960	0.000	1	106.2960	0.000	1	106.2960	0.000	1	106.2960	0.000	1	105.8737	1.204	3	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	3:3:4:4:	3:4:3:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[6,6a]-3:C[5,6]-3:C[5,5]-4:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-3:Cl-1:	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6]C[5]C[6]Cl)(O)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6,6a]O)(Cl)	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6]C[5]C[6]Cl)(O){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]HH){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6,6a]O)(Cl){1|H<1>,2|C<3>,2|C<4>}	103.2000	0.000	1	103.2000	0.000	1	103.2000	0.000	1	103.2000	0.000	1	106.0765	2.650	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	3:4:4:4:	3:4:3:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O)	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HO)	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HO){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	104.4090	0.000	1	104.4090	0.000	1	104.4090	0.000	1	104.4090	0.000	1	106.0765	2.650	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	3:4:4:4:	3:4:4:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O)	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2O)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2O)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	105.3170	0.000	1	105.3170	0.000	1	105.3170	0.000	1	105.3170	0.000	1	106.0765	2.650	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:3:4:3:	4:3:3:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-3:C[5]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5]H)(O)	C[5,5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5,5,6]O)(C[5]C[5]H)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5]H)(O){2|O<2>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(C[5]C[5]H){2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5,5,6]O)(C[5]C[5]H)(H){2|H<1>,4|C<4>}	104.5750	0.000	1	104.5750	0.000	1	104.5750	0.000	1	104.5750	0.000	1	106.0765	2.650	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cl)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(O){1|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cl)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]O)(CH3){2|Cl<1>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(H)2{1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	106.5570	0.000	1	106.5570	0.000	1	106.5570	0.000	1	106.9534	0.475	16	106.0765	2.650	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:Br-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]BrH)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(Br)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]BrH)(O){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|Br<1>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(Br)(H){2|H<1>,4|C<4>}	106.2540	0.000	1	106.2540	0.000	1	106.2540	0.000	1	106.9534	0.475	16	106.0765	2.650	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2{2|H<1>,4|C<4>}	107.0247	0.757	12	107.0247	0.574	12	107.0317	0.492	14	106.9534	0.475	16	106.0765	2.650	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O){1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]O)(CH3){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2{2|H<1>,4|C<4>}	107.0735	0.278	2	107.0735	0.077	2	107.0317	0.492	14	106.9534	0.475	16	106.0765	2.650	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:4:3:4:	4:3:3:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(O){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O)(H){2|H<1>,4|C<4>}	106.9110	0.000	1	106.9110	0.000	1	106.9110	0.000	1	106.9110	0.000	1	106.0765	2.650	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:4:3:4:	4:3:3:4:	C[5,5,6]-4:C[5,6]-4:O-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:C-4:	C[3x5,6]-4:C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,6]C[3x5,6]C[6]C)(O)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[3x5,6]C[3x5,6]2C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]H)(CH3)	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,6]C[3x5,6]C[6]C)(O){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]O)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[3x5,6]C[3x5,6]2C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]H)(CH3){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	106.0990	0.000	1	106.0990	0.000	1	106.0990	0.000	1	106.0990	0.000	1	106.0765	2.650	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:4:3:4:	4:3:4:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[3x5]-4:C[5]-4:C[5,6]-3:C[6]-4:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5,6]C[5,5]C[6]H)(O)	C[5,5,6](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5,6]C[5,6]O)(C[6]N[6]HH)	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H)	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5,6]C[5,5]C[6]H)(O){1|C<4>,1|O<2>,2|N<3>,3|C<3>,5|H<1>}	C[5,5,6](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5,6]C[5,6]O)(C[6]N[6]HH){1|O<1>,1|O<2>,2|H<1>,4|C<3>,4|C<4>}	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H){1|N<3>,3|C<3>,3|C<4>}	104.6280	0.155	3	104.6280	0.024	3	104.6280	0.024	3	104.6280	0.024	3	106.0765	2.650	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:2:	4:4:3:1:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:N-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NO)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]N)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]N)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2{1|C<4>,5|H<1>}	107.4100	0.000	1	107.4100	0.000	1	107.4100	0.000	1	107.4100	0.000	1	106.0765	2.650	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:2:	4:4:3:4:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:C-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(CH3){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(H)2{2|H<1>,4|C<4>}	106.7410	0.000	1	106.7410	0.000	1	106.7410	0.000	1	107.2545	0.527	2	106.0765	2.650	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:2:	4:4:3:4:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:N-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NO)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NO){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2{2|H<1>,4|C<4>}	107.7680	0.000	1	107.7680	0.000	1	107.7680	0.000	1	107.2545	0.527	2	106.0765	2.650	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:3:	3:4:4:4:	3:4:4:1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	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[5,5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5,6]HH)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(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){10|H<1>,1|Cl<1>,1|C<3>,3|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5,6]HH)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,4|C<4>,6|H<1>}	110.2340	0.000	1	110.2340	0.000	1	110.2340	0.000	1	110.2340	0.000	1	106.0765	2.650	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:3:	4:3:3:1:	4:3:2:1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:O-2:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HO)(CHH)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]C)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HO)(CHH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]C)(OC)(H){2|C<3>,2|C<4>,4|H<1>}	105.2910	0.000	1	105.2910	0.000	1	105.2910	0.000	1	105.2910	0.000	1	106.0765	2.650	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:3:	4:3:3:1:	4:3:3:1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHH)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHH){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(COO)(H){1|C<3>,4|H<1>}	104.7040	0.680	2	104.7040	0.463	2	104.7040	0.463	2	104.7040	0.463	2	106.0765	2.650	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:3:	4:3:4:3:	3:4:3:4:	C[5,5,6]-4:C[5,6]-4:C-3:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){2|H<1>,2|O<1>,2|O<2>,4|C<4>}	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	104.7800	0.000	1	104.7800	0.000	1	104.5500	0.106	2	104.5500	0.106	2	106.0765	2.650	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:3:	4:3:4:3:	3:4:3:4:	C[5,5,6]-4:C[5,6]-4:C-3:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HO)(C[5]C[5,5]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){1|C<3>,1|H<1>,2|O<1>,3|C<4>,3|O<2>}	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HO)(C[5]C[5,5]O)(CH3){1|O<2>,2|C<3>,2|C<4>}	104.3200	0.000	1	104.3200	0.000	1	104.5500	0.106	2	104.5500	0.106	2	106.0765	2.650	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:N-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NAlO)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NAlO){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2{1|C<4>,5|H<1>}	107.8060	0.000	1	107.8060	0.000	1	107.8060	0.000	1	107.8060	0.000	1	106.0765	2.650	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:3:	4:4:3:3:	4:3:4:1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(CHH)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5,6]C[5,6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]C)(C[6]C[6]HO)(H)	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(CHH){1|O<1>,1|O<2>,2|H<1>,7|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5,6]C[5,6]C)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	102.7045	0.029	2	102.7045	0.001	2	102.7045	0.001	2	102.7045	0.001	2	106.0765	2.650	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:3:	4:4:3:4:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:N-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCuC)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCuC){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2{2|H<1>,4|C<4>}	106.0890	0.000	1	106.0890	0.000	1	106.0890	0.000	1	106.0890	0.000	1	106.0765	2.650	38	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5]	4:3:4:	3:2:4:4:	3:4:1:1:	C[5,5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:O[5,6]-2:C[5]-4:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[5,6,6]C)(C[5]C[5]HH)	C[5,5,6](C[5,6]C[5]C[6])(O[5,6]C[5,6,6])(C[5]C[5]CC)(C[5]C[5]HO)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HO)(H)2	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[5,6,6]C)(C[5]C[5]HH){2|H<1>,2|O<2>,6|C<4>}	C[5,5,6](C[5,6]C[5]C[6])(O[5,6]C[5,6,6])(C[5]C[5]CC)(C[5]C[5]HO){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HO)(H)2{1|O<2>,5|C<4>}	107.8620	0.000	1	107.8620	0.000	1	107.8620	0.000	1	107.8620	0.000	1	107.8723	1.852	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5]	4:4:3:	3:4:3:4:	3:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	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[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]CC)(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){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	108.1760	0.000	1	108.1760	0.000	1	108.1760	0.000	1	108.1760	0.000	1	107.8723	1.852	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5]	4:4:3:	3:4:4:3:	3:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5,5]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]C[6]CH)(C[5]O[5]O)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]C[6]CH)(C[5]O[5]O){1|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	109.1150	0.287	2	109.1150	0.082	2	109.1150	0.082	2	109.1150	0.082	2	107.8723	1.852	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5]	4:4:3:	4:3:4:1:	3:2:1:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[5,6]-3:C[5,5]-4:H-1:	C[5,6]-3:O[5]-2:H-1:H-1:	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[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6])(C[5,5]O[5]2H)(H)	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(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){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6])(C[5,5]O[5]2H)(H){1|N<2>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(H)2{1|O<2>,2|C<4>,3|H<1>}	105.2830	0.000	1	105.2830	0.000	1	105.2830	0.000	1	105.2830	0.000	1	107.8723	1.852	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5]	4:4:3:	4:3:4:4:	3:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:H-1:O-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)	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CO)(H)(O)	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>}	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|S<4>,2|C<3>,2|O<1>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CO)(H)(O){1|N<3>,2|H<1>,3|C<4>}	108.5280	0.000	1	108.5280	0.000	1	108.5280	0.000	1	107.7775	1.127	2	107.8723	1.852	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5]	4:4:3:	4:3:4:4:	3:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)	C[5,5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[5]C[5]CH)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[5]C[5]CH){1|C<3>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	107.0270	0.000	1	107.0270	0.000	1	107.0270	0.000	1	107.7775	1.127	2	107.8723	1.852	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6,6]	C[5]	4:3:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[6]-3:C[5]-4:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H){5|C<3>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	109.2950	0.007	2	109.2950	0.000	2	109.2950	0.000	2	109.2950	0.000	2	107.6813	0.943	11	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6,6]	C[5]	4:4:3:	3:3:3:2:	3:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6]-3:O-2:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5]C[5,6a]HH)(C[6]C[6]H)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6])(C[5,6]C[5]C[6])(OH)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5]C[5,6a]HH)(C[6]C[6]H){1|O<1>,4|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6])(C[5,6]C[5]C[6])(OH){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2{1|O<2>,2|H<1>,4|C<3>}	107.8000	0.105	2	107.8000	0.011	2	107.8000	0.011	2	107.8000	0.011	2	107.6813	0.943	11	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6,6]	C[5]	4:4:3:	3:3:3:3:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[6,6a]-3:C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,3|C<3>,9|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	107.6990	0.000	1	107.6990	0.000	1	107.6990	0.000	1	107.6990	0.000	1	107.6813	0.943	11	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6,6]	C[5]	4:4:3:	3:4:3:4:	3:2:1:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:O[5]-2:H-1:H-1:	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[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CH3)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(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){1|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CH3){1|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(H)2{1|H<1>,2|C<3>,3|C<4>}	107.5600	0.068	2	107.5600	0.005	2	107.5600	0.005	2	107.5600	0.005	2	107.6813	0.943	11	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6,6]	C[5]	4:4:3:	3:4:4:4:	3:2:2:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:O-2:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HO)(C[6]C[6]HO)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(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){3|C<4>,3|O<2>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HO)(C[6]C[6]HO){1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(OC)(H){1|O<2>,2|H<1>,3|C<4>}	107.6610	0.000	1	107.6610	0.000	1	107.6610	0.000	1	107.6610	0.000	1	107.6813	0.943	11	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6,6]	C[5]	4:4:3:	4:3:2:2:	3:3:4:4:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[6,6]-4:C[5,6]-3:O[5]-2:O[6]-2:	C[5,6]-3:C[5]-3:C-4:C-4:	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[5,6,6](C[6,6]C[6,6]CH)(C[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6])	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CCHH)2	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>}	C[5,6,6](C[6,6]C[6,6]CH)(C[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6]){1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CCHH)2{1|H<1>,1|O<2>,2|C<4>}	106.1390	0.000	1	106.1390	0.000	1	106.1390	0.000	1	106.1390	0.000	1	107.6813	0.943	11	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6,6]	C[5]	4:4:3:	4:3:4:1:	3:2:1:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6,6]-4:H-1:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){3|C<3>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,3|H<1>}	106.4190	0.000	1	106.4190	0.000	1	106.4190	0.000	1	106.4190	0.000	1	107.6813	0.943	11	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6,6]	C[5]	4:4:3:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[6,6]-4:N[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	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>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	107.2660	0.000	1	107.2660	0.000	1	107.2660	0.000	1	107.2660	0.000	1	107.6813	0.943	11	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,5,6]	4:4:1:	4:3:1:1:	4:3:3:1:	C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]SnH)(C[5,6]C[5,6]H)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H){1|Sn<2>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)2{1|Sn<2>,1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]SnH)(C[5,6]C[5,6]H)2(H){5|H<1>}	107.7242	0.605	4	107.7242	0.366	4	107.7242	0.366	4	107.7242	0.366	4	107.1276	0.845	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,5,6]	4:4:1:	4:3:1:1:	4:4:3:3:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CNO)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CNO){5|H<1>}	106.1030	0.000	1	106.1030	0.000	1	106.1030	0.000	1	106.1030	0.000	1	107.1276	0.845	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,5,6]	4:4:3:	4:3:1:1:	4:3:3:2:	C[5,5,6]-4:C[5,6]-4:C-3:	C[3x5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:O-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[3x5,6]HH)(CClH)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]C)(H)2	C[5,5,6](C[5,5]C[3x5,6]Cl2)(C[5,6]C[5,5,6]H)(C[5,6]C[5,6]C)(OC)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[3x5,6]HH)(CClH){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]C)(H)2{2|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[3x5,6]Cl2)(C[5,6]C[5,5,6]H)(C[5,6]C[5,6]C)(OC){2|C<4>,2|H<1>}	106.9810	0.000	1	106.9810	0.000	1	106.9810	0.000	1	106.9810	0.000	1	107.1276	0.845	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,5,6]	4:4:3:	4:3:3:1:	4:4:3:1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CC[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CC[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,7|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,4|H<1>}	105.9120	0.000	1	105.9120	0.000	1	105.9120	0.000	1	105.9120	0.000	1	107.1276	0.845	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	3:3:4:1:	3:4:3:4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,4|H<1>}	105.3290	0.000	1	105.3290	0.000	1	105.3290	0.000	1	105.3290	0.000	1	105.8156	4.280	26	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	3:4:3:4:	3:4:3:1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]2H)(C[6]C[6]C)(CH3)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]2H)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	105.2660	0.000	1	105.2660	0.000	1	105.2660	0.000	1	105.2660	0.000	1	105.8156	4.280	26	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	3:4:4:1:	3:4:3:4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,5|H<1>}	106.0140	0.883	4	106.0140	0.779	4	106.0172	0.468	6	106.0172	0.468	6	105.8156	4.280	26	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	3:4:4:1:	3:4:3:4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CCHH)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CCHH){1|C<4>,5|H<1>}	105.9930	0.000	1	105.9930	0.000	1	106.0172	0.468	6	106.0172	0.468	6	105.8156	4.280	26	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	3:4:4:1:	3:4:3:4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,5|H<1>}	106.0540	0.000	1	106.0540	0.000	1	106.0172	0.468	6	106.0172	0.468	6	105.8156	4.280	26	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	4:3:3:4:	4:3:2:4:	C[5,6]-4:C[5,6]-4:O-1:	C[5]-4:C[5,6]-3:N[6]-3:C-4:	C[5]-4:C[5,6]-3:N[6]-2:C-4:	C[5,6](C[5,6]C[5]N[6]C)2(O)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6]C)(CH3)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6])(CH3)	C[5,6](C[5,6]C[5]N[6]C)2(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6]C)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6])(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	103.7990	0.110	2	103.7990	0.012	2	103.7990	0.012	2	103.7990	0.012	2	105.8156	4.280	26	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	4:3:4:1:	3:4:4:2:	C[5,6]-4:C[5,6]-4:O-1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]BrN)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(O){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]BrN)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,4|H<1>}	104.2970	0.000	1	104.2970	0.000	1	104.2970	0.000	1	104.2970	0.000	1	105.8156	4.280	26	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5,6,6]C[6]H)2(O)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5a,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5,6,6]C[6]H)2(O){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5a,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	105.8450	0.000	1	105.8450	0.000	1	105.8450	0.000	1	104.4840	3.705	2	105.8156	4.280	26	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)2(O)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)2(O){1|O<2>,2|C<3>,6|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	103.1230	0.000	1	103.1230	0.000	1	103.1230	0.000	1	104.4840	3.705	2	105.8156	4.280	26	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	4:4:3:4:	4:3:4:4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:C[5,6]-3:C-4:	C[5,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6](C[5,6]C[5,6]C[5]C)2(O)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[5]C)2(O){1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	104.8630	0.000	1	104.8630	0.000	1	104.8630	0.000	1	104.8630	0.000	1	105.8156	4.280	26	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	3:3:3:1:	4:3:3:3:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-3:C[5,6]-3:C[5]-3:H-1:	C[6]-4:C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(CC[6a]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C)(C[5]C[6a]C[5])(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(CC[6a]H){2|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C)(C[5]C[6a]C[5])(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,7|C<3>}	103.6590	0.000	1	103.6590	0.000	1	103.6590	0.000	1	103.6590	0.000	1	105.8156	4.280	26	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-3:N[5,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-3:C[5,6]-4: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)	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]HH)(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){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	105.6035	0.672	2	105.6035	0.452	2	106.0770	0.899	3	106.0770	0.899	3	105.8156	4.280	26	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-3:N[5,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-3:C[5,6]-4: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)	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]S[6])(C[6]C[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]BrH)(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){2|Br<1>,1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]S[6])(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,2|C<3>,2|O<1>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]BrH)(H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	107.0240	0.000	1	107.0240	0.000	1	106.0770	0.899	3	106.0770	0.899	3	105.8156	4.280	26	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	3:3:4:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CHH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C)(C[5]C[5]CC)(H)	C[5,6](C[6]C[6,6a]HH)(C[5,6]C[5,6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CHH){4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C)(C[5]C[5]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]HH)(C[5,6]C[5,6]C)(C[5]C[5]HH)(H){1|H<1>,4|C<3>}	103.4430	0.297	2	103.4430	0.088	2	103.4430	0.088	2	103.4430	0.088	2	105.8156	4.280	26	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	4:3:3:3:	3:4:4:4:	C[5,6]-4:C[5,6]-4:C-3:	C[6,6]-4:C[5,6]-3:C[5]-3:C-3:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(CHH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5]C[5]O)(COO)	C[5,6](C[5,6]C[5,6]C)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(CHH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5]C[5]O)(COO){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3){1|C<4>,1|O<1>,2|C<3>}	104.7750	0.000	1	104.7750	0.000	1	104.7750	0.000	1	104.7750	0.000	1	105.8156	4.280	26	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	4:3:4:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	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[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6])(C[5]C[5,6]CC)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	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>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6])(C[5]C[5,6]CC)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	111.0215	0.148	2	111.0215	0.022	2	111.0215	0.022	2	111.0215	0.022	2	105.8156	4.280	26	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	4:3:4:1:	3:4:4:4:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4: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)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	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>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	107.3750	0.472	2	107.3750	0.223	2	107.3750	0.223	2	107.3750	0.223	2	105.8156	4.280	26	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	4:3:4:4:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	108.4380	0.000	1	108.4380	0.000	1	108.4380	0.000	1	108.4380	0.000	1	105.8156	4.280	26	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	3:4:4:	3:4:3:2:	3:2:1:1:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[6]-4:C[5]-3:O-2:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)(OH)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)(OH){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|C<4>}	108.5865	0.066	2	108.5865	0.004	2	108.5865	0.004	2	108.5865	0.004	2	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	3:4:4:	3:4:4:1:	3:3:1:1:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]2)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH){1|N<3>,1|S<4>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]2)(N[5]C[5]S)(H)2{3|C<4>,3|H<1>}	109.6030	0.786	4	109.6030	0.618	4	109.6030	0.618	4	109.4460	0.587	5	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	3:4:4:	3:4:4:1:	3:3:1:1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:N[5]-3:H-1: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)	C[5,6](C[5,6]C[6,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6])(N[5]C[5]S)(H)2	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>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	108.8180	0.000	1	108.8180	0.000	1	108.8180	0.000	1	109.4460	0.587	5	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	3:4:4:	3:4:4:4:	3:2:1:1:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]O[5]HH){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{2|H<1>,4|C<4>}	107.7875	0.057	2	107.7875	0.003	2	107.7875	0.003	2	107.2780	0.780	3	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	3:4:4:	3:4:4:4:	3:2:1:1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:O[5]-2:H-1: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)	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(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){1|N<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2{2|H<1>,4|C<4>}	106.2590	0.000	1	106.2590	0.000	1	106.2590	0.000	1	107.2780	0.780	3	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	3:4:4:	3:4:4:4:	3:4:1:1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:H-1: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)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]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){1|C<2>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,3|C<4>}	109.4450	0.421	3	109.1720	0.183	10	109.1720	0.183	10	109.1720	0.183	10	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	3:4:4:	3:4:4:4:	3:4:1:1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:H-1: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)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]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){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	109.0080	0.000	1	109.1720	0.183	10	109.1720	0.183	10	109.1720	0.183	10	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	3:4:4:	3:4:4:4:	3:4:1:1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:H-1: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)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]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){1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	108.5620	0.000	1	109.1720	0.183	10	109.1720	0.183	10	109.1720	0.183	10	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	3:4:4:	3:4:4:4:	3:4:1:1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:H-1: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)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]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){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	109.3205	0.238	4	109.1720	0.183	10	109.1720	0.183	10	109.1720	0.183	10	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	3:4:4:	3:4:4:4:	3:4:1:1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:H-1: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)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]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){4|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	108.5330	0.000	1	109.1720	0.183	10	109.1720	0.183	10	109.1720	0.183	10	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	3:4:4:	3:4:4:4:	3:4:2:1:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HO){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	3:4:4:	4:3:4:1:	3:4:1:1:	N[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](N[5,6]Si[5,5,6]N[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](C[5,6]N[5,6]C[5]2)(C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[5,6])(C[5]C[5]HH)(H)2	C[5,6](N[5,6]Si[5,5,6]N[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]N[5,6]C[5]2)(C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H){1|Si<5>,2|C<4>,2|N<2>,8|H<1>}	C[5](C[5,6]C[5,6]N[5,6])(C[5]C[5]HH)(H)2{1|Si<5>,1|C<4>,1|N<2>,3|H<1>}	112.5150	0.000	1	112.5150	0.000	1	112.5150	0.000	1	112.5150	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6]H)(C[5]C[5]HH)	C[5,6](N[5,6]N[5,5,6]C[5,5])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](N[5,6]N[5,5,6]C[5,5])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	108.2470	0.000	1	108.2470	0.000	1	108.2470	0.000	1	108.2470	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:3:4:2:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-3:C[5]-4:C-2:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]Si)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(CN)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]Si)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(CN){1|Si<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|Si<4>,1|C<2>,2|C<3>,2|H<1>}	107.0050	0.017	2	107.0050	0.000	2	107.0050	0.000	2	107.0050	0.000	2	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:3:4:4:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:N[6]-3:C[5]-4:C-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]H)(C[5]C[5]HH){2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3){2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	108.8640	0.000	1	108.8640	0.000	1	108.8640	0.000	1	108.8640	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:4:2:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:N[6]-2:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]N[5,6])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[5,6]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]N[5,6])(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,4|H<1>}	109.3190	0.000	1	109.3190	0.000	1	109.3190	0.000	1	109.3190	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:4:2:4:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CCHH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CCHH){1|C<4>,1|O<1>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	109.5270	0.000	1	109.5270	0.000	1	109.5270	0.000	1	109.5270	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:4:3:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6a]C[6])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	108.5880	0.000	1	108.5880	0.000	1	108.5880	0.000	1	108.5880	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:4:3:3:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:B[6]-3:C-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6]B[6]C[5]C)(C[6]C[6a]B[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(B[6]C[6]Cl)(CC[6a]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]B[6]C[5]C)(C[6]C[6a]B[6])(C[5]C[5]HH){2|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(B[6]C[6]Cl)(CC[6a]C){1|B<3>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|B<3>,2|C<3>,2|H<1>}	109.3520	0.000	1	109.3520	0.000	1	109.3520	0.000	1	109.3520	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:4:3:4:	3:3:4:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-3:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]C)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]C)(C[5]C[5]CH){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)(CH3){2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H){1|H<1>,4|C<4>}	109.4188	0.740	4	109.4188	0.548	4	109.4188	0.548	4	109.4188	0.548	4	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:4:4:1:	3:3:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH){1|S<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	109.1590	0.000	1	109.5010	0.234	2	109.5010	0.234	2	109.0770	0.656	3	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:4:4:1:	3:3:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH){1|S<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	109.8430	0.000	1	109.5010	0.234	2	109.5010	0.234	2	109.0770	0.656	3	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:4:4:1:	3:3:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]C)(C[5]N[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]C)(C[5]N[5]HH){1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	108.2290	0.000	1	108.2290	0.000	1	108.2290	0.000	1	109.0770	0.656	3	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,4|H<1>}	110.9580	0.000	1	110.4750	0.731	3	110.4373	0.493	4	110.4373	0.493	4	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,4|H<1>}	110.2335	1.054	2	110.4750	0.731	3	110.4373	0.493	4	110.4373	0.493	4	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH){4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,4|H<1>}	110.3240	0.000	1	110.3240	0.000	1	110.4373	0.493	4	110.4373	0.493	4	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:4:4:2:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C[5]-4:O[6]-2:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]2O[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6])	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]2O[6])(C[6]C[5,6]H)(C[5]C[5]HH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6]){1|O<1>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	109.4490	0.000	1	109.2055	0.119	2	109.2055	0.119	2	109.2055	0.119	2	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:4:4:2:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C[5]-4:O[6]-2:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]2O[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6])	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]2O[6])(C[6]C[5,6]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	108.9620	0.000	1	109.2055	0.119	2	109.2055	0.119	2	109.2055	0.119	2	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	4:3:4:1:	4:3:1:1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2)(H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	107.2680	0.000	1	107.2680	0.000	1	107.2680	0.000	1	107.2680	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	4:3:4:3:	3:3:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]H)(C[5]N[5]HH)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]H)(C[5]N[5]HH){1|S<4>,3|C<3>,3|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO){1|S<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	109.0660	0.000	1	109.0660	0.000	1	109.0660	0.000	1	109.0660	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:2:	4:3:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-2:	C[6,6]-4:C[5,6]-3:N[5]-4:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6])	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(N[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(N[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{2|H<1>,3|C<4>}	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:2:	4:4:3:4:	4:3:4:2:	C[5,6]-4:C[5]-4:C[6]-2:	C[3,5]-4:C[6,6]-4:C[5,6]-3:C-4:	C[3,5]-4:C[5,6]-3:C-4:O-2:	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[5]C[3,5]CO)(C[6]C[6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(CH3)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH)	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[5]C[3,5]CO)(C[6]C[6]){1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	111.1200	0.000	1	111.1200	0.000	1	111.1200	0.000	1	111.1200	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:3:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6a]-3:C[5,6]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]C){1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)(H){1|C<2>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,1|S<4>}	109.2420	0.000	1	109.2420	0.000	1	109.2420	0.000	1	109.2420	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:3:4:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]C[6])(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){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	108.9158	0.920	4	108.8281	0.468	7	108.7321	0.344	10	108.7321	0.344	10	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:3:4:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]C[6])(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){1|O<2>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	108.7113	0.314	3	108.8281	0.468	7	108.7321	0.344	10	108.7321	0.344	10	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:3:4:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5](C[5,6]N[5,6]C[6]S)(C[5,6]C[5,6]C[6])(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){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]S)(C[5,6]C[5,6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	108.5080	0.188	3	108.5080	0.035	3	108.7321	0.344	10	108.7321	0.344	10	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:3:4:3:	3:3:2:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-3:	C[5,6a]-3:C[5,6]-3:O-2:H-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(OH)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]H){1|C<4>,1|O<1>,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]HH)(CCH){1|O<2>,3|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(OH)(H){1|C<4>,2|H<1>,4|C<3>}	110.9415	0.308	2	110.9415	0.095	2	110.9415	0.095	2	110.9415	0.095	2	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:2:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	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>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,4|H<1>}	106.6130	0.000	1	106.6130	0.000	1	106.6130	0.000	1	106.6130	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	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>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H){1|S<4>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	108.6460	0.000	1	108.6460	0.000	1	107.3195	3.519	2	108.3722	3.215	4	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	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>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|S<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	105.9930	0.000	1	105.9930	0.000	1	107.3195	3.519	2	108.3722	3.215	4	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:H-1:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(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){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.4250	1.301	2	109.4250	1.693	2	109.4250	1.693	2	108.3722	3.215	4	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	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>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	108.1830	0.000	1	108.1830	0.000	1	108.1830	0.000	1	107.8735	0.192	2	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	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>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{2|H<1>,3|C<4>}	107.5640	0.000	1	107.5640	0.000	1	107.5640	0.000	1	107.8735	0.192	2	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:2:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:O[5]-2:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CHHN)(H)	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>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CHHN)(H){2|C<4>,4|H<1>}	105.6890	0.000	1	105.6890	0.000	1	105.6890	0.000	1	105.6890	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	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>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,1|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{2|C<4>,4|H<1>}	109.7140	0.000	1	109.7140	0.000	1	110.5210	0.507	3	110.5210	0.507	3	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]O[6]C)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]O[6]C){1|C<3>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|O<2>,2|C<4>,3|H<1>}	110.9245	0.192	2	110.9245	0.037	2	110.5210	0.507	3	110.5210	0.507	3	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	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>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	107.8770	0.391	3	107.8770	0.153	3	107.8770	0.153	3	107.8158	0.117	4	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:N[5]-4:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	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>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H){1|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{3|C<4>,3|H<1>}	107.6320	0.000	1	107.6320	0.000	1	107.6320	0.000	1	107.8158	0.117	4	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]O[6]H)(C[5]C[5]CH)(C[6]O[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	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>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]O[6]H)(C[5]C[5]CH)(C[6]O[6]O){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	109.4130	0.368	2	109.4130	0.135	2	109.4130	0.135	2	109.4130	0.135	2	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[3,6]HH)(C[5]N[5]HH)(CH3)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	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>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[3,6]HH)(C[5]N[5]HH)(CH3){1|S<4>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{2|H<1>,4|C<4>}	106.4940	0.158	2	106.4940	0.025	2	106.4940	0.025	2	106.4940	0.025	2	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]2)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	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>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3){1|S<4>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){2|H<1>,4|C<4>}	107.8400	0.000	1	107.8400	0.000	1	107.8400	0.000	1	107.8400	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:2:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]O[6]C)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]O[6]C){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(O[5]C[5])(H){3|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	107.3980	0.000	1	107.3980	0.000	1	107.3980	0.000	1	107.3980	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:2:2:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:O[5]-2:O-2:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]O[5]O)(C[5]C[5]CH)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6])(O[5]C[5])(OH)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)(H)	C[5,6](C[5,6]C[5,6]O[5]O)(C[5]C[5]CH)(C[6]C[6]C){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6])(O[5]C[5])(OH){1|C<3>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>}	107.0460	0.000	1	107.0460	0.000	1	107.0460	0.000	1	107.0460	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:3:1:	3:2:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	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>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(H){3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>}	106.8470	0.000	1	106.8470	0.000	1	106.8470	0.000	1	106.8470	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]C[5,6a]H)(C[5]C[5,6a]HH)(C[6]C[5,6,6]C)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	C[5,6](C[5,6]C[5,6,6]C[5,6a]H)(C[5]C[5,6a]HH)(C[6]C[5,6,6]C){3|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H){2|C<4>,6|C<3>,6|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{2|C<3>,2|H<1>,3|C<4>}	110.2630	0.000	2	110.2630	0.000	2	110.2630	0.000	2	110.2630	0.000	2	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6]-4:C[5,6]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6a]C[6,6]O)(C[5,6]C[5]C[6])(N[5]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	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>}	C[5,6](C[6,6]C[6,6a]C[6,6]O)(C[5,6]C[5]C[6])(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{2|H<1>,3|C<4>}	106.5680	1.245	2	106.5680	1.549	2	106.5680	1.549	2	106.5680	1.549	2	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:3:2:	3:2:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-3:O-2:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]O[5]HH)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(OH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	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>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(OH){3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	105.9980	0.000	1	105.9980	0.000	1	105.9980	0.000	1	105.9980	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:1:	3:2:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]N[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	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>}	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]N[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	106.5940	0.000	1	106.5940	0.000	1	106.7855	0.073	2	106.7855	0.073	2	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:1:	3:2:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	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>}	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	106.9770	0.000	1	106.9770	0.000	1	106.7855	0.073	2	106.7855	0.073	2	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	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>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]N[5]HH)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{2|C<4>,4|H<1>}	108.4460	0.000	1	108.4460	0.000	1	108.4460	0.000	1	108.4460	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]SS)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|C<4>,2|S<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|S<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]SS)(H)2{1|C<3>,1|C<4>,4|H<1>}	111.1566	0.776	8	111.1566	0.602	8	111.1566	0.602	8	110.9846	0.793	9	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]O[6]C)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]O[6]C){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	109.6080	0.000	1	109.6080	0.000	1	109.6080	0.000	1	110.9846	0.793	9	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCC)(H)	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>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCC)(H){2|C<4>,4|H<1>}	109.2275	0.409	2	109.2275	0.168	2	109.2275	0.168	2	109.2275	0.168	2	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6])(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6])(H)2{1|C<3>,4|C<4>,4|H<1>}	109.7260	0.000	1	109.7260	0.000	1	109.7260	0.000	1	109.7260	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:3:	3:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:N[5,6]-3:H-1: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)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(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){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	108.8730	0.000	1	108.8730	0.000	1	108.8730	0.000	1	108.8730	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:4:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]C)	C[5,6](C[5]C[5a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HO)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H)	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>}	C[5,6](C[5]C[5a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	107.3110	0.000	1	107.3110	0.000	1	107.3110	0.000	1	107.3110	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:4:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[5,6]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]2H)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]2H)(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	110.7270	0.000	1	110.7270	0.000	1	110.7270	0.000	1	110.3055	0.355	2	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:4:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	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>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H){3|C<4>,3|H<1>}	109.8840	0.000	1	109.8840	0.000	1	109.8840	0.000	1	110.3055	0.355	2	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:4:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHO)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHO)(CH3){1|C<3>,2|C<4>,3|H<1>}	111.3780	0.000	1	111.3780	0.000	1	111.3780	0.000	1	111.3780	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:4:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[3x5]-4:C[5,6]-3:C[6]-4:C-4:	C[3x5]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]O)	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5]C[6])(C[6]O[6]HH)(CH3)	C[5](C[3x5]C[3x5]C[5]2)(C[5,6]C[5,6]C[6])(H)2	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]O){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5]C[6])(C[6]O[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[3x5]C[3x5]C[5]2)(C[5,6]C[5,6]C[6])(H)2{2|C<3>,2|O<2>,3|H<1>,5|C<4>}	110.8640	0.000	1	110.8640	0.000	1	110.8640	0.000	1	110.8640	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:4:	4:3:4:2:	C[5,6]-4:C[5]-4:C[6]-3:	C[3,5]-4:C[5,6]-3:C[6]-4:C-4:	C[3,5]-4:C[5,6]-3:C-4:O-2:	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]CO)(C[6]C[6]H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH)	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>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH){3|C<4>,4|H<1>}	111.2360	0.000	1	111.2360	0.000	1	111.2360	0.000	1	111.2360	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	3:2:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5,6]2H)(C[5]O[5]HH)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(H)2	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>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,4|C<4>}	108.2400	0.000	1	108.2400	0.000	1	108.2400	0.000	1	108.2400	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5]	4:4:4:	3:4:4:4:	3:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	104.1650	0.000	1	104.1650	0.000	1	104.1650	0.000	1	104.1650	0.000	1	108.9721	2.383	112	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:4:3:1:	3:4:2:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]O)(C[5]C[5]CH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(COO)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]O)(C[5]C[5]CH){2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(COO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<3>}	108.0620	0.000	1	108.0620	0.000	1	108.0620	0.000	1	108.0620	0.000	1	109.3034	12.678	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:4:4:1:	4:3:4:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C[5]-4:H-1:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,5,6]H)(C[5]C[5]2H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(C[5]C[5]HH)(H)	C[5,6](C[6]C[5,5,6,6]HO)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,5,6]H)(C[5]C[5]2H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[6]C[5,5,6,6]HO)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){4|C<4>,4|H<1>}	108.8510	0.000	1	108.8510	0.000	1	108.8510	0.000	1	108.8510	0.000	1	109.3034	12.678	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5]	C[5,6]	4:4:3:	3:3:4:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:N[5]-3: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)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	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>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	108.2027	0.616	3	108.2027	0.380	3	108.2027	0.380	3	108.2027	0.380	3	109.3034	12.678	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5]	C[5,6]	4:4:3:	3:4:3:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:P[5]-4:C-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]CH)(C[6]O[6]O)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]2C[5])(COO)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]B[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]CH)(C[6]O[6]O){1|B<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]2C[5])(COO)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]B[6]HH)(H){1|H<1>,2|O<2>,5|C<3>}	117.1610	0.000	1	117.1610	0.000	1	117.1610	0.000	1	117.1610	0.000	1	109.3034	12.678	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5,6]	C[5]	C[5,6]	4:4:3:	3:4:4:4:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H)(H)	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>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(CH3){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H)(H){3|H<1>,4|C<4>}	106.4420	0.000	1	106.4420	0.000	1	106.4420	0.000	1	106.4420	0.000	1	109.3034	12.678	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[3x5,6,6]	C[5]	4:4:1:	4:4:4:3:	4:3:1:1:	C[3x5,6,6]-4:C[5]-4:O-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,6]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[3x5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(O)	C[3x5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[3x5,6]C[3x5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]O)	C[5](C[5]C[5,5,6,6]CH)(C[5]C[3x5,6,6]O)(H)2	C[5](C[3x5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(O){1|C<3>,3|H<1>,6|C<4>}	C[3x5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[3x5,6]C[3x5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]O){1|N<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5,5,6,6]CH)(C[5]C[3x5,6,6]O)(H)2{1|C<3>,3|C<4>}	109.9420	0.000	1	109.9420	0.000	1	109.9420	0.000	1	109.9420	0.000	1	109.9420	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[3x5,6]	C[5]	4:4:1:	4:4:3:2:	4:3:2:1:	C[3x5,6]-4:C[5]-4:O-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5,6]HO)(O)	C[3x5,6](C[3x5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(O[5]C[5])	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[3x5,6]O)(OH)(H)	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5,6]HO)(O){1|O<2>,3|C<3>,4|C<4>}	C[3x5,6](C[3x5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(O[5]C[5]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[3x5,6]O)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	109.2540	0.000	1	109.2540	0.000	1	109.2540	0.000	1	109.2540	0.000	1	109.1747	0.416	3	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[3x5,6]	C[5]	4:4:1:	4:4:4:3:	3:3:1:1:	C[3x5,6]-4:C[5]-4:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[3x5,6]C[5,5,6]2C[5,5])(C[5]N[5]HH)(O)	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5]N[5]H)(C[5]C[5]O)	C[5](C[5]C[3x5,6]O)(N[5]C[5,5]S)(H)2	C[5](C[3x5,6]C[5,5,6]2C[5,5])(C[5]N[5]HH)(O){1|C<3>,1|S<4>,3|H<1>,4|C<4>}	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5]N[5]H)(C[5]C[5]O){10|H<1>,1|C<3>,1|S<4>}	C[5](C[5]C[3x5,6]O)(N[5]C[5,5]S)(H)2{1|H<1>,3|C<4>}	109.7760	0.000	1	109.7760	0.000	1	109.7760	0.000	1	109.7760	0.000	1	109.1747	0.416	3	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[3x5,6]	C[5]	4:4:3:	4:4:4:3:	4:3:1:1:	C[3x5,6]-4:C[5]-4:C-3:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5]C[5]HH)(CHH)	C[3x5,6](C[3x5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,5]O[5,6]O)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[3x5,6]HH)(C[5]C[3x5,6]C)(H)2	C[5](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5]C[5]HH)(CHH){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[3x5,6](C[3x5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,5]O[5,6]O)(C[5]C[5]HH)(C[5]C[5]C){1|O<1>,3|C<4>,5|H<1>}	C[5](C[5]C[3x5,6]HH)(C[5]C[3x5,6]C)(H)2{1|O<2>,3|C<4>}	108.4940	0.000	1	108.4940	0.000	1	108.4940	0.000	1	108.4940	0.000	1	109.1747	0.416	3	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[3x5]	C[5,5]	4:4:1:	4:3:4:3:	3:4:3:1:	C[3x5]-4:C[5,5]-4:O-1:	C[5,5]-4:N[5,5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5,5]C[5,6a]C[5,5]H)(O)	C[3x5](C[5,5]C[5,5]N[5]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[3x5]O)(H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5,5]C[5,6a]C[5,5]H)(O){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[3x5](C[5,5]C[5,5]N[5]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,5]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[3x5]O)(H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[3x5]	C[5,6]	4:4:1:	4:4:3:3:	4:4:3:4:	C[5,6]-4:C[3x5]-4:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[3x5]C[5,5]2C[5])(O)	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3)	C[5](C[5,6]C[5,6]C[6,6]C)(C[3x5]C[5,5]2C[5])(O){1|C<3>,1|N<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O){1|C<3>,2|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3){2|C<3>,4|C<4>,5|H<1>}	110.4660	0.000	1	109.9988	0.190	4	109.9988	0.190	4	109.9988	0.190	4	109.9988	0.190	4	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[3x5]	C[5,6]	4:4:1:	4:4:3:3:	4:4:3:4:	C[5,6]-4:C[3x5]-4:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[3x5]C[5,5]2C[5])(O)	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3)	C[5](C[5,6]C[5,6]C[6,6]C)(C[3x5]C[5,5]2C[5])(O){1|C<3>,1|N<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3){2|C<3>,4|C<4>,5|H<1>}	109.7480	0.475	2	109.9988	0.190	4	109.9988	0.190	4	109.9988	0.190	4	109.9988	0.190	4	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[3x5]	C[5,6]	4:4:1:	4:4:3:3:	4:4:3:4:	C[5,6]-4:C[3x5]-4:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[3x5]C[5,5]2C[5])(O)	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3)	C[5](C[5,6]C[5,6]C[6,6]C)(C[3x5]C[5,5]2C[5])(O){1|C<3>,1|N<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3){2|C<3>,4|H<1>,5|C<4>}	110.0330	0.000	1	109.9988	0.190	4	109.9988	0.190	4	109.9988	0.190	4	109.9988	0.190	4	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[3x5]	C[5]	4:4:1:	3:4:4:3:	4:3:1:1:	C[3x5]-4:C[5]-4:O-1:	N[5,5]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[3x5](N[5,5]C[5,6a]C[5])(C[5,5]C[5]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]O)	C[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(H)2	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[3x5](N[5,5]C[5,6a]C[5])(C[5,5]C[5]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(H)2{1|C<4>,1|H<1>,2|N<3>}	108.3550	0.000	1	108.3550	0.000	1	108.9800	0.781	2	108.9800	0.781	2	108.2947	0.901	4	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[3x5]	C[5]	4:4:1:	3:4:4:3:	4:3:1:1:	C[3x5]-4:C[5]-4:O-1:	N[5,5]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[3x5](N[5,5]C[5,6a]C[5])(C[5,5]C[5]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]O)	C[5](C[5]C[5,5]HH)(C[5]C[3x5]O)(H)2	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|N<3>,3|C<3>,5|H<1>}	C[3x5](N[5,5]C[5,6a]C[5])(C[5,5]C[5]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[3x5]O)(H)2{1|C<4>,1|H<1>,2|N<3>}	109.6050	0.000	1	109.6050	0.000	1	108.9800	0.781	2	108.9800	0.781	2	108.2947	0.901	4	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[3x5]	C[5]	4:4:3:	4:4:4:3:	3:3:1:1:	C[3x5]-4:C[5]-4:C-3:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[3x5]C[5,5]2C[5])(C[5]N[5]HH)(CHH)	C[3x5](C[5,5]C[5]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C)	C[5](C[5]C[3x5]C)(N[5]C[5,5]S)(H)2	C[5](C[3x5]C[5,5]2C[5])(C[5]N[5]HH)(CHH){1|N<3>,1|S<4>,3|C<4>,4|H<1>}	C[3x5](C[5,5]C[5]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C){2|S<4>,3|C<4>,5|H<1>}	C[5](C[5]C[3x5]C)(N[5]C[5,5]S)(H)2{1|H<1>,3|C<4>}	107.4630	0.000	1	107.4630	0.000	1	107.6095	0.043	2	107.6095	0.043	2	108.2947	0.901	4	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[3x5]	C[5]	4:4:3:	4:4:4:3:	3:3:1:1:	C[3x5]-4:C[5]-4:C-3:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[3x5]C[5,5]2C[5])(C[5]N[5]HH)(CHH)	C[3x5](C[5,5]C[5]N[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(C[5]C[5]C)	C[5](C[5]C[3x5]C)(N[5]C[5,5]S)(H)2	C[5](C[3x5]C[5,5]2C[5])(C[5]N[5]HH)(CHH){1|O<2>,1|S<4>,3|C<4>,4|H<1>}	C[3x5](C[5,5]C[5]N[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(C[5]C[5]C){1|S<4>,3|C<4>,5|H<1>}	C[5](C[5]C[3x5]C)(N[5]C[5,5]S)(H)2{1|H<1>,3|C<4>}	107.7560	0.000	1	107.7560	0.000	1	107.6095	0.043	2	107.6095	0.043	2	108.2947	0.901	4	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,3x6]	C[5]	4:4:1:	4:4:4:3:	4:3:1:1:	C[5,3x6]-4:C[5]-4:O-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(O)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]O)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,3x6]O)(H)2	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,7|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,3x6]O)(H)2{1|H<1>,3|C<4>}	108.3400	0.000	1	108.3400	0.000	1	108.3400	0.000	1	108.3400	0.000	1	108.3400	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6,6]	C[5]	4:4:1:	4:4:4:3:	3:3:1:1:	C[5,5,6,6]-4:C[5]-4:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(C[5]N[5]HH)(O)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]O)	C[5](C[5]C[5,5,6,6]O)(N[5]C[5,6]S)(H)2	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(C[5]N[5]HH)(O){1|C<3>,1|S<4>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]O){10|H<1>,1|C<3>,1|C<4>,1|S<4>}	C[5](C[5]C[5,5,6,6]O)(N[5]C[5,6]S)(H)2{1|H<1>,3|C<4>}	110.4010	0.000	1	110.4010	0.000	1	110.4010	0.000	1	110.4010	0.000	1	108.5525	6.834	2	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6,6]	C[5]	4:4:1:	4:4:4:3:	4:3:4:1:	C[5,5,6,6]-4:C[5]-4:O-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(C[5]C[5,6]CH)(O)	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6,6]O)(CHHO)(H)	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(C[5]C[5,6]CH)(O){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6,6]O)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	106.7040	0.000	1	106.7040	0.000	1	106.7040	0.000	1	106.7040	0.000	1	108.5525	6.834	2	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5,5,6]	4:4:1:	4:4:3:4:	4:4:3:1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2C)(C[5,5,6]C[5,5,6]2H)(O)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(CCHH)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(H)	C[5](C[5,5,6]C[5,5,6]2C)(C[5,5,6]C[5,5,6]2H)(O){2|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(CCHH){1|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(H){1|C<3>,3|C<4>,5|H<1>}	111.9020	0.157	2	111.9020	0.025	2	111.9020	0.025	2	111.9020	0.025	2	112.4443	0.895	3	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5,5,6]	4:4:1:	4:4:3:4:	4:4:3:4:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2C)2(O)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(CCHH)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(CCHH)	C[5](C[5,5,6]C[5,5,6]2C)2(O){2|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(CCHH){1|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(CCHH){1|C<3>,3|C<4>,5|H<1>}	113.5290	0.000	1	113.5290	0.000	1	113.5290	0.000	1	113.5290	0.000	1	112.4443	0.895	3	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5,5]	4:4:1:	4:4:3:4:	4:3:4:1:	C[5,5,6]-4:C[5,5]-4:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-4:	C[5,5,6]-4:C[5]-3:C[5]-4:H-1:	C[5](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]C[5]H)(O)	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]H)(C[5]C[5,5]O)(C[5]C[5]HH)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,5,6]O)(C[5]C[5]CH)(H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]C[5]H)(O){1|O<2>,5|H<1>,7|C<4>}	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]H)(C[5]C[5,5]O)(C[5]C[5]HH){2|C<4>,8|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,5,6]O)(C[5]C[5]CH)(H){2|H<1>,2|O<2>,4|C<4>}	108.6040	0.000	1	108.6040	0.000	1	109.1050	0.502	2	109.1050	0.502	2	109.1050	0.502	2	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5,5]	4:4:1:	4:4:3:4:	4:3:4:1:	C[5,5,6]-4:C[5,5]-4:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-4:	C[5,5,6]-4:C[5]-3:C[5]-4:H-1:	C[5](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]C[5]H)(O)	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]H)(C[5]C[5,5]O)(C[5]C[5]HH)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,5,6]O)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]C[5]H)(O){1|O<2>,6|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]H)(C[5]C[5,5]O)(C[5]C[5]HH){2|C<4>,8|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,5,6]O)(C[5]C[5]HH)(H){2|H<1>,2|O<2>,4|C<4>}	109.6060	0.000	1	109.6060	0.000	1	109.1050	0.502	2	109.1050	0.502	2	109.1050	0.502	2	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5,6]	4:4:1:	3:4:3:3:	4:4:3:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6,6]-3:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,6]C[6,6]H)(O)	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[5]O[5]O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5,6]O)(H)	C[5](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,6]C[6,6]H)(O){1|C<3>,1|O<1>,1|O<2>,8|C<4>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[5]O[5]O){3|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5,6]O)(H){2|C<3>,5|C<4>,5|H<1>}	104.3440	0.000	1	104.3440	0.000	1	104.3440	0.000	1	104.3440	0.000	1	107.6649	3.466	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5,6]	4:4:1:	4:3:4:2:	3:3:4:4:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6,6]-4:C[5]-3:C[5]-4:O[6]-2:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5](C[5,5,6]C[5,5,6,6]C[5]O[6])(C[5,6]C[5,6]C[6]C)(O)	C[5,5,6](C[5,5,6,6]C[3x6]C[5,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(O[6]C[6,6])	C[5,6](C[5,6]C[5,5,6,6]C)(C[5]C[5,5,6]O)(C[6]C[6,6]HH)(CH3)	C[5](C[5,5,6]C[5,5,6,6]C[5]O[6])(C[5,6]C[5,6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[3x6]C[5,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(O[6]C[6,6]){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,5,6,6]C)(C[5]C[5,5,6]O)(C[6]C[6,6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>}	107.3160	0.000	1	107.3160	0.000	1	107.3160	0.000	1	107.3160	0.000	1	107.6649	3.466	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5,6]	4:4:1:	4:4:3:3:	4:4:3:4:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6,6]C)(O)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5,6]O)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5,6]O)(CH3)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6,6]C)(O){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5,6]O)(C[5]N[5]O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5,6]O)(CH3){3|C<3>,4|C<4>,4|H<1>}	108.9180	0.000	1	108.9180	0.000	1	109.7040	1.236	2	109.7040	1.236	2	107.6649	3.466	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5,6]	4:4:1:	4:4:3:3:	4:4:3:4:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6,6]C)(O)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]O)(C[5]C[5,6]O)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5,6]O)(CH3)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6,6]C)(O){1|C<3>,1|N<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]O)(C[5]C[5,6]O)(C[5]N[5]O){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5,6]O)(CH3){2|C<3>,4|C<4>,5|H<1>}	110.4900	0.000	1	110.4900	0.000	1	109.7040	1.236	2	109.7040	1.236	2	107.6649	3.466	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5,6]	4:4:1:	4:4:3:4:	4:3:4:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(O)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]O)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]O)(C[6]C[6]CC)(H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(O){1|C<3>,5|H<1>,7|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]O)(C[5]C[5]HH){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]O)(C[6]C[6]CC)(H){1|O<2>,4|C<4>,4|H<1>}	107.5287	0.138	3	107.5287	0.019	3	107.5287	0.019	3	107.5287	0.019	3	107.6649	3.466	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5]	4:4:1:	3:4:3:3:	3:4:1:1:	C[5,5,6]-4:C[5]-4:O-1:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,5,6]C[6,6a]C[5,5]N[5,6])(C[5]C[5]HH)(O)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5,6]C[6]N[5])(C[5]C[5]O)	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(H)2	C[5](C[5,5,6]C[6,6a]C[5,5]N[5,6])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5,6]C[6]N[5])(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	108.9500	0.000	1	108.9500	0.000	1	108.9500	0.000	1	108.9500	0.000	1	108.9341	1.533	27	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5]	4:4:1:	3:4:4:3:	4:3:1:1:	C[5,5,6]-4:C[5]-4:O-1:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(O)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O){1|Br<1>,1|O<1>,3|C<3>,6|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2{2|C<3>,2|C<4>}	109.3990	0.000	1	109.4955	0.019	2	109.4955	0.019	2	109.4955	0.019	2	108.9341	1.533	27	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5]	4:4:1:	3:4:4:3:	4:3:1:1:	C[5,5,6]-4:C[5]-4:O-1:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(O)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O){1|O<1>,3|C<3>,7|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2{2|C<3>,2|C<4>}	109.5920	0.000	1	109.4955	0.019	2	109.4955	0.019	2	109.4955	0.019	2	108.9341	1.533	27	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5]	4:4:1:	4:2:4:3:	4:3:1:1:	C[5,5,6]-4:C[5]-4:O-1:	C[5,6,6]-4:O[5,6]-2:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,5,6]C[5,6,6]O[5,6]C[5])(C[5]C[5,6]HH)(O)	C[5,5,6](C[5,6,6]C[5,6]C[6,6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6]O)(H)2	C[5](C[5,5,6]C[5,6,6]O[5,6]C[5])(C[5]C[5,6]HH)(O){3|H<1>,5|C<4>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	108.0870	0.000	1	108.0870	0.000	1	108.0870	0.000	1	108.0870	0.000	1	108.9341	1.533	27	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5]	4:4:1:	4:4:2:3:	4:3:4:1:	C[5,5,6]-4:C[5]-4:O-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:C[5]-3:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5,6]CH)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[5,6]HH)(O[5]C[5,6])(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]O)(CH3)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5,6]CH)(O){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[5,6]HH)(O[5]C[5,6])(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]O)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	109.1380	0.000	1	109.1380	0.000	1	109.1380	0.000	1	109.1380	0.000	1	108.9341	1.533	27	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:Br-1:Br-1:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]Br2)(O)	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]O)(Br)2	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]Br2)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H){3|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]O)(Br)2{2|C<4>,2|H<1>}	106.8840	0.000	1	106.8840	0.000	1	106.8840	0.000	1	109.0467	5.001	3	108.9341	1.533	27	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(O)	C[5,5,6](C[5,5,6]C[4,5,6]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(O){1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[4,5,6]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2{2|C<4>,2|H<1>}	108.9060	0.000	1	108.9060	0.000	1	110.1280	2.987	2	109.0467	5.001	3	108.9341	1.533	27	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5,6]CC)(C[5]C[5,5,6]O)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(O){2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5,5,6]CC)(C[5]C[5,5,6]O)(H)2{2|C<4>,2|H<1>}	111.3500	0.000	1	111.3500	0.000	1	110.1280	2.987	2	109.0467	5.001	3	108.9341	1.533	27	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:3:1:	C[5,5,6]-4:C[5]-4:O-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5]C[6a]H)(O)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]C[5]O)(H)	C[5](C[5,5]C[3x5,6]N[5]H)(C[5]C[5,5,6]O)(C[6a]C[6a]2)(H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5]C[6a]H)(O){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]C[5]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,5]C[3x5,6]N[5]H)(C[5]C[5,5,6]O)(C[6a]C[6a]2)(H){3|C<3>,3|C<4>,4|H<1>}	111.2970	0.000	1	111.2970	0.000	1	111.2970	0.000	1	111.2970	0.000	1	108.9341	1.533	27	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:4:1:	C[5,5,6]-4:C[5]-4:O-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]CH)(O)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]O)(H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]O)(CCHH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]CH)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]O)(H){1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]O)(CCHH)(H){3|H<1>,4|C<4>}	108.5165	0.165	2	108.5165	0.027	2	108.5165	0.027	2	108.5165	0.027	2	108.9341	1.533	27	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5]	4:4:1:	4:4:3:3:	4:3:1:1:	C[5,5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5,6]-4:C[5,6]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5,6]C[5,6]3)(C[5]C[5]HH)(O)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5,6]C[5,6]C)(C[5]C[5]O)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,5,6]O)(H)2	C[5](C[5,5,6]C[5,6]3)(C[5]C[5]HH)(O){2|C<3>,2|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5,6]C[5,6]C)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,5,6]O)(H)2{3|C<3>,3|C<4>}	108.3685	0.196	2	108.3685	0.038	2	108.3685	0.038	2	108.3685	0.038	2	108.9341	1.533	27	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5]	4:4:1:	4:4:4:3:	3:2:1:1:	C[5,5,6]-4:C[5]-4:O-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5]O[5]HH)(O)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6]O[5]O[6]C)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5,5,6]O)(O[5]C[5,6])(H)2	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5]O[5]HH)(O){1|O<2>,2|H<1>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6]O[5]O[6]C)(C[5]C[5]HH)(C[5]C[5]O){1|N<3>,3|C<4>,8|H<1>}	C[5](C[5]C[5,5,6]O)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>}	108.1030	0.327	2	108.1030	0.107	2	108.1030	0.107	2	108.1030	0.107	2	108.9341	1.533	27	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5]	4:4:1:	4:4:4:3:	3:4:1:1:	C[5,5,6]-4:C[5]-4:O-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(O)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5,5,6]O)(C[5]C[5]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(O){1|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]C[5]O){1|C<3>,8|H<1>}	C[5](C[5]C[5,5,6]O)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	108.4960	0.000	1	108.4960	0.000	1	108.4960	0.000	1	109.3980	0.295	7	108.9341	1.533	27	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5]	4:4:1:	4:4:4:3:	3:4:1:1:	C[5,5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5,5,6](C[5,6]C[5]N[6]H)(C[5,5]C[5]2C)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]CH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(O){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]N[6]H)(C[5,5]C[5]2C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|S<4>,9|H<1>}	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]CH)(H)2{1|C<3>,3|C<4>}	109.5920	0.000	1	109.5920	0.000	1	109.5442	0.206	5	109.3980	0.295	7	108.9341	1.533	27	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5]	4:4:1:	4:4:4:3:	3:4:1:1:	C[5,5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,8|H<1>}	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(H)2{1|H<1>,3|C<4>}	109.5323	0.523	4	109.5323	0.273	4	109.5442	0.206	5	109.3980	0.295	7	108.9341	1.533	27	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5]	4:4:1:	4:4:4:3:	3:4:1:1:	C[5,5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(O)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5,5,6]O)(C[5]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[5]C[5]O){1|O<2>,2|C<3>,6|H<1>}	C[5](C[5]C[5,5,6]O)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	109.5690	0.000	1	109.5690	0.000	1	109.5690	0.000	1	109.3980	0.295	7	108.9341	1.533	27	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5]	4:4:1:	4:4:4:3:	3:4:2:1:	C[5,5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:O-2:H-1:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HO)(O)	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(OH)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HO)(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,7|H<1>}	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(OH)(H){1|H<1>,3|C<4>}	109.1290	0.000	1	109.1290	0.000	1	109.1290	0.000	1	109.1290	0.000	1	108.9341	1.533	27	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5]	4:4:1:	4:4:4:3:	4:3:1:1:	C[5,5,6]-4:C[5]-4:O-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5,6]HH)(O)	C[5,5,6](C[5,5,6]C[5,6]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5,6]HH)(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	109.5380	0.000	1	109.5380	0.000	1	109.5380	0.000	1	110.0580	0.541	2	108.9341	1.533	27	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5]	4:4:1:	4:4:4:3:	4:3:1:1:	C[5,5,6]-4:C[5]-4:O-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(O)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(O){2|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){10|H<1>,1|C<4>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2{1|C<3>,3|C<4>}	110.5780	0.000	1	110.5780	0.000	1	110.5780	0.000	1	110.0580	0.541	2	108.9341	1.533	27	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5]	4:4:3:	3:4:2:3:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C-3:	C[5,6a]-3:C[5,6]-4:O[5,6]-2:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5,6]C[5,6a]C[5,6]O[5,6])(C[5]C[5]HH)(CC[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]C)	C[5](C[5]C[5,6]ClH)(C[5]C[5,5,6]C)(H)2	C[5](C[5,5,6]C[5,6a]C[5,6]O[5,6])(C[5]C[5]HH)(CC[6a]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]C){1|Cl<1>,1|C<4>,2|C<3>,7|H<1>}	C[5](C[5]C[5,6]ClH)(C[5]C[5,5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	106.5160	0.000	1	106.5160	0.000	1	106.5160	0.000	1	106.5160	0.000	1	108.9341	1.533	27	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[5]	4:4:3:	4:4:3:3:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C-3:	C[5,5,6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CHH)	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]HH)(C[5]C[5]C)(C[6]O[6]O)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]C)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CHH){1|C<3>,1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]HH)(C[5]C[5]C)(C[6]O[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]C)(H)2{1|C<3>,1|O<2>,2|C<4>}	106.0950	0.000	1	106.0950	0.000	1	106.0950	0.000	1	106.0950	0.000	1	108.9341	1.533	27	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5,5]	4:4:1:	3:3:4:3:	3:3:4:3:	C[5,5]-4:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]2)2(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[5]C[5]HH)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)2(O){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	109.2500	0.007	2	109.2500	0.000	2	109.2500	0.000	2	109.2500	0.000	2	108.7619	1.854	9	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5,5]	4:4:1:	4:3:3:2:	4:3:3:4:	C[5,5]-4:C[5,5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2N[5])(O)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(C[5]N[5]O)(N[5]C[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]O)(C[5]O[5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2N[5])(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(C[5]N[5]O)(N[5]C[5]){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]O)(C[5]O[5]O)(CH3){1|N<2>,2|C<3>,3|H<1>}	109.1200	0.000	1	109.1200	0.000	1	109.1200	0.000	1	109.1200	0.000	1	108.7619	1.854	9	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5,5]	4:4:1:	4:3:4:1:	3:3:4:3:	C[5,5]-4:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-3:C[5]-3:C[5]-4:C-3:	C[5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5,5]C[5]H)(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]O)(C[5]C[5]HH)(COO)	C[5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5,5]C[5]H)(O){1|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]O)(C[5]C[5]HH)(COO){3|C<4>,4|H<1>}	108.4935	0.296	2	108.4935	0.088	2	108.4935	0.088	2	108.4935	0.088	2	108.7619	1.854	9	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5,5]	4:4:1:	4:3:4:2:	4:3:4:2:	C[5,5]-4:C[5,5]-4:O-1:	C[5]-4:C[5]-3:C[5]-4:O[5]-2:	C[5]-4:C[5]-3:C[5]-4:O[5]-2:	C[5](C[5,5]C[5]2O[5])2(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5])	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5])	C[5](C[5,5]C[5]2O[5])2(O){2|N<2>,4|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	108.8740	0.000	1	108.8740	0.000	1	108.8740	0.000	1	108.8740	0.000	1	108.7619	1.854	9	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5,5]	4:4:1:	4:3:4:3:	4:4:3:1:	C[5,5]-4:C[5,5]-4:O-1:	C[5]-4:N[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(O)	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5,5]HH)(C[5]C[5,5]O)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(O){1|N<2>,2|N<3>,4|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5,5]HH)(C[5]C[5,5]O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]C[5,5]O)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	109.8610	0.000	1	109.8610	0.000	1	109.8610	0.000	1	109.8610	0.000	1	108.7619	1.854	9	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5,5]	4:4:1:	4:4:3:4:	4:3:4:2:	C[5,5]-4:C[5,5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-4:	C[5]-4:C[5]-3:C[5]-4:O[5]-2:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2O[5])(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2O[5])(O){1|C<4>,1|N<2>,1|N<3>,5|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5]){2|C<4>,2|H<1>,3|C<3>}	110.0770	0.000	1	110.0770	0.000	1	110.0770	0.000	1	110.0770	0.000	1	108.7619	1.854	9	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5,5]	4:4:3:	4:3:3:1:	4:3:2:1:	C[5,5]-4:C[5,5]-4:C[6,6]-3:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	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[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]C[6,6])(C[5]C[6a]N[5])(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6,6])(O[5]N[5])(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){1|O<2>,2|C<3>,2|N<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]C[6,6])(C[5]C[6a]N[5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6,6])(O[5]N[5])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	105.4380	0.000	1	105.4380	0.000	1	105.4380	0.000	1	105.4380	0.000	1	108.7619	1.854	9	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5,6,6]	4:4:1:	4:3:4:1:	4:4:3:2:	C[5,6,6]-4:C[5,5]-4:O-1:	C[3x5,6,6]-4:C[5]-3:C[5]-4:H-1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-3:O-2:	C[5](C[5,6,6]C[5,5,3x6]C[6,6]O)(C[5,5]C[3x5,6,6]C[5]H)(O)	C[5,5](C[3x5,6,6]C[5,5,3x6]C[5,3x6]C[5,6a])(C[5]C[5,6,6]O)(C[5]N[5,6]HH)(H)	C[5,6,6](C[5,5,3x6]C[3x5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]O)(OH)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]O)(C[5,5]C[3x5,6,6]C[5]H)(O){1|C<3>,2|N<3>,3|C<4>,4|H<1>}	C[5,5](C[3x5,6,6]C[5,5,3x6]C[5,3x6]C[5,6a])(C[5]C[5,6,6]O)(C[5]N[5,6]HH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,4|C<4>}	C[5,6,6](C[5,5,3x6]C[3x5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]O)(OH){3|C<3>,3|H<1>,4|C<4>}	107.0370	0.000	1	107.0370	0.000	1	107.0370	0.000	1	107.0370	0.000	1	107.0370	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5,6]	4:4:1:	4:3:4:2:	3:4:3:4:	C[5,5]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5]-3:C[5]-4:O-2:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH){1|O<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3){1|O<2>,2|C<3>,2|C<4>}	108.7750	0.000	1	108.7750	0.000	1	108.7065	0.009	2	108.7065	0.009	2	108.2455	2.574	6	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5,6]	4:4:1:	4:3:4:2:	3:4:3:4:	C[5,5]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5]-3:C[5]-4:O-2:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HO)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH){1|O<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HO)(C[5]C[5,5]O)(CH3){1|O<2>,2|C<3>,2|C<4>}	108.6380	0.000	1	108.6380	0.000	1	108.7065	0.009	2	108.7065	0.009	2	108.2455	2.574	6	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5,6]	4:4:1:	4:4:4:3:	4:3:4:4:	C[5,6]-4:C[5,5]-4:O-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]O)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]3)(O){1|N<3>,2|C<3>,3|C<4>,7|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]C[5,6]HH)(C[5]C[5,6]O){3|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]O)(C[6]C[6]HH)(CH3){4|C<4>,5|H<1>}	109.3250	0.000	1	109.3250	0.000	1	109.3250	0.000	1	109.3250	0.000	1	108.2455	2.574	6	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5,6]	4:4:2:	4:4:3:2:	4:3:4:1:	C[5,5]-4:C[5,6]-4:N-2:	C[5,6]-4:C[5,5]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6]C[5,6]C[6]H)(NN)	C[5,5](C[5,6]O[5,6]C[6]H)(C[5,5]C[5,6]2H)(C[5]C[5,6]N)(OH)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]N)(C[6]C[6]HH)(H)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6]C[5,6]C[6]H)(NN){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,5](C[5,6]O[5,6]C[6]H)(C[5,5]C[5,6]2H)(C[5]C[5,6]N)(OH){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]N)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	110.1200	0.000	1	110.1200	0.000	1	110.1200	0.000	1	110.1200	0.000	1	108.2455	2.574	6	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5,6]	4:4:3:	4:3:4:1:	4:3:2:2:	C[5,5]-4:C[5,6]-4:C-3:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHH)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]C)(C[5]C[5]HH)(H)	C[5,6](C[5]C[5,5]CC)(C[5]C[5,5]C)(O[6]C[6])2	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHH){2|C<3>,3|H<1>,4|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]C)(C[5]C[5]HH)(H){2|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5]C[5,5]CC)(C[5]C[5,5]C)(O[6]C[6])2{3|C<4>,6|H<1>}	106.6570	0.000	1	106.6570	0.000	1	106.6570	0.000	1	106.6570	0.000	1	108.2455	2.574	6	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5,6]	4:4:3:	4:4:3:1:	2:3:4:1:	C[5,5]-4:C[5,6]-4:C-3:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	O[5,6]-2:C[5]-3:C[6]-4:H-1:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(CHH)	C[5,5](C[5,5,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]C)(C[6]C[6]HO)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(CHH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]C)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	105.9580	0.000	1	105.9580	0.000	1	105.9580	0.000	1	105.9580	0.000	1	108.2455	2.574	6	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	3:2:3:2:	3:4:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5]-3:O[5]-2:C[5]-3:O[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(O)	C[5,5](C[5]C[5,6]C)(O[5]C[5,6])(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(O){1|C<3>,4|C<4>}	C[5,5](C[5]C[5,6]C)(O[5]C[5,6])(C[5]C[5]O)(O[5]C[5]){4|C<4>,4|H<1>}	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(H)2{1|C<3>,1|O<2>}	107.4140	0.000	1	107.4140	0.000	1	107.4140	0.000	1	107.4140	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	3:3:3:2:	3:3:4:1:	C[5,5]-4:C[5]-4:O-1:	C[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:N[5]-3:C-4:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]N[5]CH)(O)	C[5,5](C[5]C[5]C)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH)(H)	C[5](C[5,5]C[5]2O[5])(C[5]N[5]CH)(O){1|C<3>,1|O<1>,3|C<4>}	C[5,5](C[5]C[5]C)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){2|C<4>,5|H<1>}	C[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>}	108.6380	0.000	1	108.6380	0.000	1	108.6380	0.000	1	108.6380	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	3:3:3:2:	3:4:1:1:	C[5,5]-4:C[5]-4:O-1:	N[5]-3:N[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,5]N[5]2O[5])(C[5]C[5]HH)(O)	C[5,5](N[5]C[6a]C[5])2(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5,5]O)(C[5]O[5]CH)(H)2	C[5](C[5,5]N[5]2O[5])(C[5]C[5]HH)(O){1|H<1>,2|C<3>,3|C<4>}	C[5,5](N[5]C[6a]C[5])2(C[5]C[5]O)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[5](C[5]C[5,5]O)(C[5]O[5]CH)(H)2{2|N<3>}	108.4240	0.000	1	108.4240	0.000	1	108.4240	0.000	1	108.4240	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O){4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	109.0460	0.000	1	109.0460	0.000	1	109.0460	0.000	1	109.0460	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	3:4:3:1:	3:3:3:2:	C[5,5]-4:C[5]-4:O-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:O-2:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CO)(O)	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CNO)(OH)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CO)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CNO)(OH){1|H<1>,2|C<4>}	108.0670	0.000	1	108.0670	0.000	1	108.0670	0.000	1	108.0670	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	3:4:3:2:	3:3:4:4:	C[5,5]-4:C[5]-4:O-1:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:C-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(O)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5]O[5])(C[5]C[5,5]O)(CH3)2	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(O){2|C<3>,4|C<4>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]C[5]O)(O[5]C[5]){2|H<1>,3|C<3>,4|C<4>}	C[5](C[5]C[5]O[5])(C[5]C[5,5]O)(CH3)2{2|C<4>,2|N<3>}	111.3350	0.000	1	111.3350	0.000	1	111.3350	0.000	1	111.3350	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	3:4:3:2:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]HH)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)(OH)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]HH)(O){1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)(OH){4|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	109.6890	0.000	1	109.6890	0.000	1	109.6890	0.000	1	109.1335	0.617	2	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	3:4:3:2:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	N[3x5]-3:C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(O)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br2)(C[5]C[5]O)(OH)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]O)(H)2	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(O){2|Br<1>,1|H<1>,3|C<4>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br2)(C[5]C[5]O)(OH){2|C<4>,6|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	108.5780	0.000	1	108.5780	0.000	1	108.5780	0.000	1	109.1335	0.617	2	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	3:4:3:3:	3:4:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]O[5]O){3|C<3>,4|H<1>}	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	108.7490	0.000	2	108.7490	0.000	2	108.7490	0.000	2	108.7490	0.000	2	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6]HH)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(N[5]S[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6]HH)(O){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(N[5]S[5]H){1|C<4>,2|O<1>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.8160	0.000	1	108.8160	0.000	1	108.8160	0.000	1	109.0650	0.208	3	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O){4|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(H)2{1|H<1>,5|C<3>}	109.1895	0.568	2	109.1895	0.322	2	109.1895	0.322	2	109.0650	0.208	3	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	3:4:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(C[5]C[5]O)	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(C[5]C[5]O){1|O<2>,2|C<3>,6|H<1>}	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	110.2010	0.000	1	110.2010	0.000	1	109.7970	0.326	2	109.7970	0.326	2	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	3:4:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)2(C[5]C[5]O)	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,6|H<1>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)2(C[5]C[5]O){3|C<3>,6|H<1>}	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.3930	0.000	1	109.3930	0.000	1	109.7970	0.326	2	109.7970	0.326	2	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:2:3:2:	3:4:4:2:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:O[5]-2:C[5]-3:O[5]-2:	C[5]-3:C[5]-4:C-4:O-2:	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CO)(O)	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(CCHH)(OH)	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CO)(O){1|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(C[5]C[5]O)(O[5]C[5]){1|C<3>,1|H<1>,2|O<2>,7|C<4>}	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(CCHH)(OH){1|C<4>,1|O<2>}	107.7060	0.000	1	107.7060	0.000	1	107.7060	0.000	1	107.7060	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:2:3:3:	3:3:3:1:	C[5,5]-4:C[5]-4:O-1:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5a]C[5]H)(O)	C[5,5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]O)(C[5]C[5]C)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5a]C[5]H)(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]C[5]H)(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]O)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:3:2:1:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:N[5]-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]O)(N[5]N[5])(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(O){1|N<2>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]O)(N[5]N[5])(H){1|B<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|N<2>,1|N<3>,2|H<1>}	108.8760	0.000	1	108.8760	0.000	1	108.8760	0.000	1	108.8760	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[3x5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(O)	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]O)(C[5]N[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]O)(H)2{1|C<4>,1|H<1>,4|C<3>}	109.6830	0.000	1	109.6830	0.000	1	109.6830	0.000	1	108.2857	0.992	6	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,5,6]-4:C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(O)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]O)(C[5]O[5]O)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]O)(C[5]O[5]O)(H){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	106.9420	0.000	1	106.9420	0.000	1	106.9420	0.000	1	108.2857	0.992	6	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C)(C[5]C[5]O)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2{1|C<4>,1|H<1>,4|C<3>}	109.2060	0.000	1	109.2060	0.000	1	108.3237	0.586	3	108.2857	0.992	6	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(C[5]O[5]O)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(C[5]O[5]O)(H){2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	107.9230	0.000	1	107.9230	0.000	1	108.3237	0.586	3	108.2857	0.992	6	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O)(C[5]N[5]C)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O){1|C<4>,1|N<2>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O)(C[5]N[5]C)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]C[5,5]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	107.8420	0.000	1	107.8420	0.000	1	108.3237	0.586	3	108.2857	0.992	6	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]C)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(O){1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]C)(H){1|C<4>,7|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	108.1180	0.000	1	108.1180	0.000	1	108.1180	0.000	1	108.2857	0.992	6	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:3:3:2:	3:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,6]-4:N[5,5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,6]N[5,5]O)(C[5]C[5]HH)(O)	C[5,5](C[5,6]C[5,6]2C)(N[5,5]C[5]2)(C[5]C[5]O)(OH)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H)2	C[5](C[5,5]C[5,6]N[5,5]O)(C[5]C[5]HH)(O){1|C<3>,1|O<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]2C)(N[5,5]C[5]2)(C[5]C[5]O)(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H)2{1|O<2>,2|C<4>}	107.6480	0.000	1	107.6480	0.000	1	107.6480	0.000	1	107.6480	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:3:3:2:	3:3:4:4:	C[5,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:C-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(O)	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(N[5]C[5]C)(O[5]N[5])	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3)2	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(N[5]C[5]C)(O[5]N[5]){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3)2{1|O<2>,2|C<4>}	109.5820	0.000	1	109.8310	0.124	2	109.8310	0.124	2	109.8310	0.124	2	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:3:3:2:	3:3:4:4:	C[5,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:C-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(O)	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(N[5]C[5]C)(O[5]N[5])	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3)2	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(N[5]C[5]C)(O[5]N[5]){1|O<1>,3|C<4>}	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3)2{1|O<2>,2|C<4>}	110.0800	0.000	1	109.8310	0.124	2	109.8310	0.124	2	109.8310	0.124	2	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:3:3:2:	3:4:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:S[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,5]C[5]2S[5])(C[5]C[5]HH)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(S[5]C[5])	C[5](C[5]C[5,5]O)(C[5]C[5]CH)(H)2	C[5](C[5,5]C[5]2S[5])(C[5]C[5]HH)(O){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(S[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]O)(C[5]C[5]CH)(H)2{1|H<1>,1|S<2>,2|C<3>}	107.8140	0.000	1	107.8140	0.000	1	107.8140	0.000	1	107.8140	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:3:3:2:	3:4:4:1:	C[5,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-4:C-4:H-1:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(N[5]C[5])	C[5](C[5]C[5,5]O)(C[5]C[5]CH)(CH3)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(N[5]C[5]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]O)(C[5]C[5]CH)(CH3)(H){1|H<1>,1|N<2>,2|C<3>}	109.0770	0.000	1	109.0770	0.000	1	109.0770	0.000	1	109.0770	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:3:3:4:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5,5a]C[5]H)(C[5]C[5,5a]O)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O){1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,5a]C[5]H)(C[5]C[5,5a]O)(C[5]C[5]O)(CH3){1|C<3>,1|N<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	108.9620	0.000	1	108.9620	0.000	1	108.9620	0.000	1	108.9620	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:3:3:4:	4:3:4:3:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:C-3:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CC)(O)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]O)2(CCHH)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CCHH)(COS)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CC)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]O)2(CCHH){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CCHH)(COS){1|C<3>,3|C<4>}	108.9440	0.000	1	108.9440	0.000	1	108.9440	0.000	1	108.9440	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:2:3:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)(O)	C[5,5](C[5]C[5,5]CC)(C[5]C[5,6]HH)(O[5]N[5,6])(C[5]C[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)(O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5]C[5,5]CC)(C[5]C[5,6]HH)(O[5]N[5,6])(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]O)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	110.5220	0.000	1	110.5220	0.000	1	110.5220	0.000	1	110.5220	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:1:	3:2:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HH)(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HH)(O){1|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O)(H){1|C<4>,1|O<2>,7|H<1>}	C[5](C[5]C[5,5]O)(O[5]C[5,5])(H)2{1|H<1>,3|C<4>}	107.2690	0.000	1	107.2690	0.000	1	107.2690	0.000	1	107.2690	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:1:	3:2:4:2:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:O-2:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CO)(O)	C[5,5](C[5,5]C[5,6]O[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHH)(OH)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CO)(O){1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5,6]O[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H){2|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHH)(OH){1|H<1>,3|C<4>}	107.5780	0.000	1	107.5780	0.000	1	107.5780	0.000	1	107.5780	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:1:	3:3:4:4:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(O)	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3){2|C<4>,2|H<1>}	111.4190	0.000	1	111.4190	0.000	1	111.4190	0.000	1	111.4922	0.206	8	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:1:	3:3:4:4:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]N[5,5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]N[5,5]CH)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<1>,1|S<2>,2|C<4>}	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3){1|H<1>,3|C<4>}	111.4830	0.662	2	111.4830	0.438	2	111.3414	0.227	5	111.4922	0.206	8	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:1:	3:3:4:4:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CH)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<1>,1|S<2>,2|C<4>}	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3){2|C<4>,2|H<1>}	111.2820	0.000	1	111.2820	0.000	1	111.3414	0.227	5	111.4922	0.206	8	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:1:	3:3:4:4:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]C[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3){2|C<4>,2|H<1>}	111.2295	0.634	2	111.2295	0.402	2	111.3414	0.227	5	111.4922	0.206	8	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:1:	3:3:4:4:	C[5,5]-4:C[5]-4:O-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3){2|C<4>,2|H<1>}	111.9060	0.270	2	111.9060	0.073	2	111.9060	0.073	2	111.4922	0.206	8	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]H)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|H<1>,6|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]H)(H){1|C<3>,2|C<4>,8|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]H)(H)2{1|H<1>,3|C<4>}	106.1230	0.000	1	106.1230	0.000	1	106.1230	0.000	1	108.7459	1.546	14	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]O)(C[5]C[5,5]HO)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]O)(C[5]C[5,5]HO)(C[5]C[5]H)(H){2|C<4>,6|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	105.9420	0.000	1	105.9420	0.000	1	105.9420	0.000	1	108.7459	1.546	14	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[3,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[3,5]C[5,5]H)(C[5]C[5]HH)(O)	C[5,5](C[3,5]C[3]2C[5])(C[5,5]C[5]2H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[3,5]C[5,5]H)(C[5]C[5]HH)(O){3|H<1>,4|C<4>}	C[5,5](C[3,5]C[3]2C[5])(C[5,5]C[5]2H)(C[5]C[5]O)(H){10|H<1>,2|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{2|C<4>,2|H<1>}	110.2600	0.000	1	110.2600	0.000	1	110.2600	0.000	1	108.7459	1.546	14	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(O)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){1|O<1>,4|C<4>,8|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	108.7420	0.000	1	108.7640	0.049	4	108.9848	0.281	5	108.7459	1.546	14	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(O)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(O){2|H<1>,5|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){1|O<2>,4|C<4>,9|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2{3|H<1>,4|C<4>}	108.7713	0.271	3	108.7640	0.049	4	108.9848	0.281	5	108.7459	1.546	14	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(O)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(O){1|H<1>,1|O<2>,5|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(H){1|O<2>,4|C<4>,9|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2{3|H<1>,4|C<4>}	109.8680	0.000	1	109.8680	0.000	1	108.9848	0.281	5	108.7459	1.546	14	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H){1|O<1>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|H<1>,3|C<4>}	109.5040	0.000	1	109.2703	0.041	3	109.2703	0.041	3	108.7459	1.546	14	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|H<1>,3|C<4>}	109.1535	0.015	2	109.2703	0.041	3	109.2703	0.041	3	108.7459	1.546	14	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]O)(H){2|C<4>,6|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{2|C<4>,2|H<1>}	108.7680	0.000	1	108.7680	0.000	1	109.1273	0.155	3	108.7459	1.546	14	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O){1|C<4>,1|H<1>,5|C<3>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	109.0650	0.000	1	109.0650	0.000	1	109.1273	0.155	3	108.7459	1.546	14	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HO)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HO)(C[5]C[5]O)(H){1|C<3>,1|S<4>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	109.5490	0.000	1	109.5490	0.000	1	109.1273	0.155	3	108.7459	1.546	14	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:1:	4:3:2:2:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[3]-4:C[5]-3:O[5]-2:O-2:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[3]O[5]O)(O)	C[5,5](C[5,5]C[5,6]O[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H)	C[5](C[3]C[3,5]2H)(C[5]C[5,5]O)(O[5]C[5,5])(OH)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[3]O[5]O)(O){1|O<2>,2|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,6]O[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H){2|H<1>,2|O<2>,3|C<4>}	C[5](C[3]C[3,5]2H)(C[5]C[5,5]O)(O[5]C[5,5])(OH){2|H<1>,6|C<4>}	107.2790	0.695	4	107.2790	0.483	4	107.2790	0.483	4	107.2790	0.483	4	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:2:	3:4:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(O)	C[5,5](C[5]C[5]HO)(C[5]O[5]CH)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5,5]O)(C[5]C[5]CO)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[5,5](C[5]C[5]HO)(C[5]O[5]CH)(C[5]C[5]O)(N[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]O)(C[5]C[5]CO)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>}	110.1820	0.000	1	110.1820	0.000	1	110.1820	0.000	1	110.1820	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:2:	3:4:4:1:	C[5,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-4:C-4:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(O)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(CH3)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(O){3|H<1>,5|C<4>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]O)(O[5]C[5]){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(CH3)(H){2|C<4>}	107.3705	0.882	2	107.3705	0.778	2	107.3705	0.778	2	107.3705	0.778	2	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:2:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-3:C-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)(CC)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O){3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)(CC){2|C<3>,6|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<2>,1|H<1>,2|C<4>}	108.2280	0.000	1	108.2280	0.000	1	108.2280	0.000	1	108.1235	0.795	4	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:2:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(O)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]O)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]O)(O[5]C[5]){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	107.4605	0.060	2	107.4605	0.004	2	108.0887	1.186	3	108.1235	0.795	4	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:2:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(O)	C[5,5](C[5,6]C[5,6]O[6]C)(C[5]O[5]HH)(C[5]C[5]O)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]N)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(O){1|N<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,6]C[5,6]O[6]C)(C[5]O[5]HH)(C[5]C[5]O)(O[5]C[5]){1|N<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]N)(C[5]C[5,5]O)(H)2{1|H<1>,3|C<4>,3|O<2>}	109.3450	0.000	1	109.3450	0.000	1	108.0887	1.186	3	108.1235	0.795	4	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:3:	3:3:4:4:	C[5,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:C-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CC)(O)	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(N[5]C[6a]C[5])(C[5]C[5]O)	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CC)(O){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(N[5]C[6a]C[5])(C[5]C[5]O){1|O<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)2{1|C<3>,2|C<4>}	110.8825	0.425	2	110.8825	0.181	2	110.8825	0.181	2	110.8825	0.181	2	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:3:	3:4:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(O)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(O){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]O)(C[5]O[5]O){6|H<1>}	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.2690	0.000	1	109.2690	0.000	1	108.7247	0.245	3	108.7247	0.245	3	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:3:	3:4:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(O)	C[5,5](C[5]C[5]HH)(C[5]N[5]CH)(C[5]C[5]O)(C[5]N[5]O)	C[5](C[5]C[5,5]O)(C[5]C[5]CC)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(O){1|C<3>,1|O<1>,2|C<4>,2|N<3>,3|H<1>}	C[5,5](C[5]C[5]HH)(C[5]N[5]CH)(C[5]C[5]O)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]O)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	108.6030	0.000	1	108.6030	0.000	1	108.7247	0.245	3	108.7247	0.245	3	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:3:	3:4:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(O)	C[5,5](C[5]C[5]HH)2(C[5]C[5]O)(C[5]N[5]O)	C[5](C[5]C[5,5]O)(C[5]C[5]CC)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(O){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]O)(C[5]N[5]O){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]O)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	108.3020	0.000	1	108.3020	0.000	1	108.7247	0.245	3	108.7247	0.245	3	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:4:	3:2:4:1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:C-4:H-1:	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CH)(O)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CC[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CH)(O){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<4>,5|H<1>}	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CC[5]CH)(H){1|O<2>,3|C<4>}	107.5320	0.000	1	107.5320	0.000	1	107.5320	0.000	1	107.5320	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:4:	3:3:4:4:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5](C[5,5]C[5,5]2C)(C[5]C[5]CC)(O)	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(CHHO)	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3)	C[5](C[5,5]C[5,5]2C)(C[5]C[5]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(CHHO){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3){1|H<1>,3|C<4>}	112.3670	0.379	2	112.3670	0.144	2	112.3670	0.144	2	112.3670	0.144	2	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[3x5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5,5]HH)(O)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5,5]HH)(O){2|H<1>,5|C<4>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|Si<4>,3|C<4>,7|H<1>}	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5,5]O)(H)2{2|H<1>,5|C<4>}	108.8690	0.000	1	108.8690	0.000	1	108.8690	0.000	1	110.0422	0.621	6	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O){1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]O)(CH3){2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	110.4055	0.764	2	110.4055	0.584	2	110.4352	0.316	4	110.0422	0.621	6	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5,6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O){1|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5,6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{2|C<4>,2|O<2>}	110.8900	0.000	1	110.8900	0.000	1	110.4352	0.316	4	110.0422	0.621	6	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O)	C[5,5](C[5,5]N[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5,5](C[5,5]N[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5]O)(CH3){2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|N<3>,1|O<2>,2|C<4>}	110.0400	0.000	1	110.0400	0.000	1	110.4352	0.316	4	110.0422	0.621	6	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5,6]-4:C[5,5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(O)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(O){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O)(C[5]C[5]O)(CH3){2|C<4>,9|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|O<2>,3|C<4>}	109.6430	0.000	1	109.6430	0.000	1	109.6430	0.000	1	110.0422	0.621	6	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:3:4:	4:3:4:4:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CC)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(CH3)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CC)(O){3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(CH3)2{1|H<1>,3|C<4>}	110.8260	0.000	1	110.8260	0.000	1	110.8260	0.000	1	110.8260	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(O)	C[5,5](C[5]C[5]HH)2(C[5]N[5]CH)(C[5]C[5]O)	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(O){1|N<3>,2|C<4>,7|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]CH)(C[5]C[5]O){1|S<4>,6|H<1>}	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	108.9190	0.000	1	108.9190	0.000	1	108.9190	0.000	1	108.9190	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:4:3:	3:4:4:1:	C[5,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-4:H-1:	C[5](C[5,5]C[5]3)(C[5]C[5]CH)(O)	C[5,5](C[5]C[5]HH)2(C[5]O[5]CH)(C[5]C[5]O)	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5,5]C[5]3)(C[5]C[5]CH)(O){1|O<2>,2|C<4>,7|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]O[5]CH)(C[5]C[5]O){3|C<4>,3|H<1>}	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(CCHH)(H){2|C<4>,2|H<1>}	108.4740	0.000	1	108.4740	0.000	1	108.4740	0.000	1	108.4740	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:1:	4:4:4:3:	4:3:1:1:	C[5,5]-4:C[5]-4:O-1:	C[3,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[3,5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[3,5]C[5]2)(C[5]C[3,5]HH)(O)	C[5,5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[5]S[5]HH)(C[5]C[5]O)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[3,5]C[5]2)(C[5]C[3,5]HH)(O){1|S<2>,3|C<4>,5|H<1>}	C[5,5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[5]S[5]HH)(C[5]C[5]O){1|C<4>,6|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5,5]O)(H)2{2|C<4>,3|H<1>}	110.5030	0.000	1	110.5030	0.000	1	110.5030	0.000	1	110.5030	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:2:	3:4:3:2:	4:3:1:1:	C[5,5]-4:C[5]-4:N-2:	C[5,6a]-3:C[5,5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]C[5,6]HH)(NN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5]N)(OH)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]N)(H)2	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]C[5,6]HH)(NN){1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5]N)(OH){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]N)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	111.1540	0.000	1	111.1540	0.000	1	111.1540	0.000	1	110.5120	0.187	4	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:2:	3:4:3:2:	4:3:1:1:	C[5,5]-4:C[5]-4:N-2:	C[6a]-3:C[5,5]-4:C[5]-3:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]HH)(NO)	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]N)(N[5]C[5])	C[5](C[5]C[5,5]HH)(C[5]C[5,5]N)(H)2	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]HH)(NO){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]N)(N[5]C[5]){3|C<3>,7|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]N)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	110.2980	0.074	3	110.2980	0.006	3	110.2980	0.006	3	110.5120	0.187	4	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:2:	3:4:3:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C-2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5,5]C)(C[5]C[5]CC)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CC){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C)(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	110.0930	0.000	1	110.0930	0.000	1	110.0930	0.000	1	110.0930	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:2:	4:3:3:1:	3:2:4:1:	C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OC)	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]O)(N[5]C[5]C)(H)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHO)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OC){1|H<1>,1|N<3>,2|C<3>}	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]O)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|N<3>}	101.3640	0.000	1	101.3640	0.000	1	101.3640	0.000	1	101.3640	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:2:	4:4:3:2:	3:2:1:1:	C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C[5]-3:O-2:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]HH)(OH)	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)(OH)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]HH)(OH){1|C<3>,1|N<3>,3|H<1>}	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)(OH){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,5]O)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	101.5470	0.000	1	101.5470	0.000	1	101.5470	0.000	1	101.5470	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	3:3:3:2:	3:4:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CHH)	C[5,5](C[5]C[5]C)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5]C[5,5]C)(C[5]O[5]HH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CHH){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[5,5](C[5]C[5]C)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){2|C<4>,5|H<1>}	C[5](C[5]C[5,5]C)(C[5]O[5]HH)(H)2{2|C<3>}	106.0320	0.000	1	106.0320	0.000	1	106.0320	0.000	1	106.0320	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	3:3:3:3:	3:2:4:4:	C[5,5]-4:C[5]-4:C-3:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-4:C-4:	C[5](C[5,5]C[5]3)(C[5]O[5]CC)(CCH)	C[5,5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[5,5]C)(O[5]C[5])(CH3)2	C[5](C[5,5]C[5]3)(C[5]O[5]CC)(CCH){1|H<1>,2|C<3>,2|O<1>}	C[5,5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(C[5]C[5]C)(C[5]O[5]O){2|C<3>,2|C<4>}	C[5](C[5]C[5,5]C)(O[5]C[5])(CH3)2{1|O<1>,2|C<3>}	108.3190	0.000	1	108.3190	0.000	1	108.3190	0.000	1	108.3190	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	3:3:3:4:	4:3:4:1:	C[5,5]-4:C[5]-4:C-3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]CH)(CSiC)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]C)(CCCH)	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(CH3)(H)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]CH)(CSiC){1|S<4>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]C)(CCCH){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(CH3)(H){1|C<3>,1|C<4>,1|S<4>}	108.0650	0.567	2	108.0650	0.322	2	108.0650	0.322	2	108.0650	0.322	2	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	3:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(CCH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(CCH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	107.3060	0.000	1	107.3060	0.000	1	107.3060	0.000	1	107.3060	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]C[5]HH)(CCH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]C[5]HH)(CCH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,8|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|C<4>,1|N<3>,2|C<3>}	109.7890	0.000	1	110.2490	0.423	2	110.2490	0.423	2	110.2490	0.423	2	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]C[5]HH)(CCH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]C[5]HH)(CCH){1|N<3>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,8|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|N<3>,3|C<3>}	110.7090	0.000	1	110.2490	0.423	2	110.2490	0.423	2	110.2490	0.423	2	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CSiH)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]C)(N[5]C[5,5]S)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CSiH){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]C)(C[5]C[5]H)(H){1|S<4>,5|H<1>}	C[5](C[5]C[5,5]C)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	108.3840	0.000	1	108.3840	0.000	1	108.3840	0.000	1	108.3840	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	3:3:3:3:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:C-3:	C[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]CC)(CC[6a]H)	C[5,5](C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C)(N[5]C[5,5]H)(COO)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]CC)(CC[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(C[5]C[5]C)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5,5]C)(N[5]C[5,5]H)(COO)2{1|C<3>,1|N<3>,2|H<1>}	107.3290	0.000	1	107.3290	0.000	1	107.4705	0.040	2	107.4705	0.040	2	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	3:3:3:3:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:C-3:	C[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]CC)(CHH)	C[5,5](C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C)(N[5]C[5,5]H)(COO)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]CC)(CHH){1|S<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(C[5]C[5]C)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5,5]C)(N[5]C[5,5]H)(COO)2{1|C<3>,1|N<3>,2|H<1>}	107.6120	0.000	1	107.6120	0.000	1	107.4705	0.040	2	107.4705	0.040	2	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(CC[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(C[5]C[5]C)(H)	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(CC[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	107.0245	0.551	2	107.0245	0.303	2	106.9557	0.204	4	106.7512	0.362	5	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(CC[6a]H)	C[5,5](C[5,5]C[5]3)(N[5,5]C[5]2)(C[5]C[5]C)(H)	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(CC[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]3)(N[5,5]C[5]2)(C[5]C[5]C)(H){2|O<1>,4|C<3>,6|H<1>}	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	106.8870	0.539	2	106.8870	0.290	2	106.9557	0.204	4	106.7512	0.362	5	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:N[5,5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]H)	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]C)(H)	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	105.9330	0.000	1	105.9330	0.000	1	105.9330	0.000	1	106.7512	0.362	5	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	4:3:3:3:	3:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CC[6a]H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]O)(C[5]C[5]C)(COO)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CC[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]O)(C[5]C[5]C)(COO){2|H<1>,3|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	108.7245	0.069	2	108.7245	0.005	2	108.7245	0.005	2	108.7245	0.005	2	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	4:3:3:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CHH)	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CHH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O){1|S<4>,4|H<1>}	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	108.4800	0.305	2	108.4800	0.093	2	108.4800	0.093	2	108.4800	0.093	2	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	4:3:3:3:	3:4:4:1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:H-1:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CHH)	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(C[5]O[5]O)(N[5]C[5]C)	C[5](C[5]C[5,5]C)(C[5]N[5]HH)(CH3)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(C[5]O[5]O)(N[5]C[5]C){1|C<4>,5|H<1>}	C[5](C[5]C[5,5]C)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>}	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	4:4:3:1:	3:2:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CHI)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CHI){2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,5]C)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	108.5390	0.000	1	108.5390	0.000	1	108.5390	0.000	1	108.5390	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(CHH)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(CHH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]N[5]HH)(C[5]C[5]C)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.6770	0.000	1	107.6770	0.000	1	107.6770	0.000	1	107.2360	2.761	5	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(CHH)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(CHH){3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]C)(H){2|C<4>,2|F<1>,7|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{2|C<4>,2|H<1>}	107.9910	0.000	1	107.9910	0.000	1	107.9910	0.000	1	107.2360	2.761	5	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCC)	C[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	108.1140	0.148	2	108.1140	0.022	2	108.1140	0.022	2	107.2360	2.761	5	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(CCC)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2C)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(CCC){3|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2C)(C[5]C[5]C)(H){5|C<4>,6|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,3|C<4>}	104.2840	0.000	1	104.2840	0.000	1	104.2840	0.000	1	107.2360	2.761	5	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	4:4:3:3:	3:2:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CHH)	C[5,5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[5,5]C)(O[5]C[5])(H)2	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CHH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[5]C[5]C)(C[5]O[5]O){3|C<4>,3|H<1>}	C[5](C[5]C[5,5]C)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	107.5800	0.000	1	107.5800	0.000	1	107.5800	0.000	1	107.5800	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	4:4:3:3:	3:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-4:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CHH)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(COO)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CHH){1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(COO){2|H<1>,3|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	108.7230	0.000	1	108.7230	0.000	1	108.7230	0.000	1	108.7210	0.000	2	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	4:4:3:3:	3:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(CC[6a]Cl)	C[5,5](C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5,5]C)(N[5]C[5]S)(H)2	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(CC[6a]Cl){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[5,5](C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]C)(C[5]C[5]H){1|S<4>,5|H<1>}	C[5](C[5]C[5,5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	108.7190	0.000	1	108.7190	0.000	1	108.7190	0.000	1	108.7210	0.000	2	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	4:4:3:4:	3:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CHH)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(CHHO)	C[5](C[5]C[5,5]C)(N[5]C[5,5]S)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CHH){1|S<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(CHHO){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]C)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	109.7270	0.000	1	109.7270	0.000	1	109.7270	0.000	1	109.4285	0.178	2	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	4:4:3:4:	3:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CHH)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(CHHO)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CHH){1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(CHHO){2|H<1>,3|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2{1|H<1>,2|C<4>,3|C<3>}	109.1300	0.000	1	109.1300	0.000	1	109.1300	0.000	1	109.4285	0.178	2	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5]	C[5]	4:4:3:	4:4:3:4:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5,5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,5]2C)(C[5]C[5]HH)(CHH)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]2C)(C[5]C[5]HH)(CHH){3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]C)(CH3){2|C<4>,9|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,3|C<4>}	109.2950	0.000	1	109.2950	0.000	1	109.2950	0.000	1	109.2950	0.000	1	108.7835	3.103	124	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,5x6]	C[5]	4:4:1:	4:4:4:3:	4:3:4:1:	C[5,5x6]-4:C[5]-4:O-1:	C[5,3x6]-4:C[4x6]-4:C[4x6]-4:C[5]-3:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5](C[5,5x6]C[5,3x6]C[4x6]2)(C[5]C[5,6]CH)(O)	C[5,5x6](C[5,3x6]C[5,6]O[6,6]H)(C[4x6]C[6,6]O[3x6]O)(C[4x6]C[5x6]C[6]H)(C[5]C[5]O)	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,5x6]O)(CHHO)(H)	C[5](C[5,5x6]C[5,3x6]C[4x6]2)(C[5]C[5,6]CH)(O){3|H<1>,3|O<2>,4|C<4>}	C[5,5x6](C[5,3x6]C[5,6]O[6,6]H)(C[4x6]C[6,6]O[3x6]O)(C[4x6]C[5x6]C[6]H)(C[5]C[5]O){2|O<2>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,5x6]O)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	107.6440	0.000	1	107.6440	0.000	1	107.6440	0.000	1	107.6440	0.000	1	107.6440	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6,6]	C[5,5]	4:4:1:	4:4:3:3:	4:3:4:1:	C[5,6,6]-4:C[5,5]-4:O-1:	C[5,6]-4:C[6,6]-4:C[5]-3:C[6]-3:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,5]C[5,5]C[5]H)(O)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5,5]O)(C[6]N[6]O)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6,6]O)(C[5]O[5]CO)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,5]C[5,5]C[5]H)(O){1|C<3>,1|N<2>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5,5]O)(C[6]N[6]O){3|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6,6]O)(C[5]O[5]CO)(H){1|H<1>,2|C<3>,3|C<4>}	107.6300	0.000	1	107.6300	0.000	1	107.6300	0.000	1	107.6300	0.000	1	107.6300	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6,6]	C[5,6]	4:4:1:	4:4:3:1:	4:3:3:2:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5]-3:N[6]-3:O-2:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]N[6]O)(O)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5,6]O)(H)	C[5,6](C[5,3x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]O)(N[6]C[6]C)(OH)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]N[6]O)(O){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5,6]O)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,3x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]O)(N[6]C[6]C)(OH){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	109.4355	0.161	2	109.4355	0.026	2	109.4355	0.026	2	109.4355	0.026	2	109.4355	0.026	2	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6,6]	C[5]	4:4:1:	4:4:3:1:	3:3:4:4:	C[5,6,6]-4:C[5]-4:O-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,6,6]O)2(CC[6a]HH)(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6,6]O)2(CC[6a]HH)(CH3){2|C<4>,2|H<1>}	111.3525	0.182	2	111.3525	0.033	2	111.3525	0.033	2	111.0907	0.564	6	108.9141	2.370	32	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6,6]	C[5]	4:4:1:	4:4:3:1:	3:3:4:4:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]O)(H)	C[5](C[5]C[5,6,6]O)2(CH3)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[5](C[5]C[5,6,6]O)2(CH3)2{2|C<4>,2|H<1>}	110.3290	0.000	1	110.3290	0.000	1	110.9597	0.860	4	111.0907	0.564	6	108.9141	2.370	32	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6,6]	C[5]	4:4:1:	4:4:3:1:	3:3:4:4:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H)	C[5](C[5]C[5,6,6]O)2(CC[6a]HH)(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6,6]O)2(CC[6a]HH)(CH3){2|C<4>,2|H<1>}	111.7490	0.197	2	111.7490	0.039	2	110.9597	0.860	4	111.0907	0.564	6	108.9141	2.370	32	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6,6]	C[5]	4:4:1:	4:4:3:1:	3:3:4:4:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H)	C[5](C[5]C[5,6,6]O)2(CH3)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,6,6]O)2(CH3)2{2|C<4>,2|H<1>}	110.0120	0.000	1	110.0120	0.000	1	110.9597	0.860	4	111.0907	0.564	6	108.9141	2.370	32	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,5,6,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,5,6,6]HH)(O)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[5]O)(H)	C[5](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(C[5]C[5,6,6]O)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,5,6,6]HH)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(C[5]C[5,6,6]O)(H)2{3|C<3>,3|C<4>,3|H<1>}	108.6280	0.031	2	108.6280	0.001	2	108.6280	0.001	2	107.8744	2.243	10	108.9141	2.370	32	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]O)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(O){1|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	108.3325	0.323	2	108.3325	0.104	2	108.3206	0.034	5	107.8744	2.243	10	108.9141	2.370	32	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]O)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(O){1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	108.3127	0.123	3	108.3127	0.015	3	108.3206	0.034	5	107.8744	2.243	10	108.9141	2.370	32	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6]-4:C[4,6,6]-4:C[5]-3:Br-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6,6]C[4,6,6]C[5,6,6]Br)(C[5]C[5]HH)(O)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4,6,6]C[4,5,6]2H)(C[5]C[5]O)(Br)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]O)(H)2	C[5](C[5,6,6]C[4,6,6]C[5,6,6]Br)(C[5]C[5]HH)(O){1|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4,6,6]C[4,5,6]2H)(C[5]C[5]O)(Br){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]O)(H)2{1|Br<1>,1|C<3>,2|C<4>}	107.5740	0.000	1	107.5740	0.000	1	107.5740	0.000	1	107.8744	2.243	10	108.9141	2.370	32	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(O)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]O)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]O)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(O){1|O<2>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]O)(H){1|Br<1>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]O)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<2>,2|C<3>}	106.1555	3.453	2	106.1555	11.922	2	106.1555	11.922	2	107.8744	2.243	10	108.9141	2.370	32	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6,6]	C[5]	4:4:1:	4:4:3:2:	4:3:1:1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6]HH)(O)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(C[5]C[5]O)(OH)	C[5](C[5,6]C[5,3x6]C[6]2)(C[5]C[5,6,6]O)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6]HH)(O){2|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(C[5]C[5]O)(OH){1|N<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,3x6]C[6]2)(C[5]C[5,6,6]O)(H)2{2|O<2>,3|H<1>,5|C<4>}	109.2640	0.000	1	109.2640	0.000	1	109.2640	0.000	1	109.2640	0.000	1	108.9141	2.370	32	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6,6]	C[5]	4:4:1:	4:4:3:3:	4:3:4:1:	C[5,6,6]-4:C[5]-4:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(O)	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHHO)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(O){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHHO)(H){1|C<3>,2|C<4>,4|H<1>}	107.9870	0.000	1	107.9870	0.000	1	108.1953	0.118	4	108.1953	0.118	4	108.9141	2.370	32	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6,6]	C[5]	4:4:1:	4:4:3:3:	4:3:4:1:	C[5,6,6]-4:C[5]-4:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(O){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O){1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.2300	0.539	2	108.2300	0.290	2	108.1953	0.118	4	108.1953	0.118	4	108.9141	2.370	32	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6,6]	C[5]	4:4:1:	4:4:3:3:	4:3:4:1:	C[5,6,6]-4:C[5]-4:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	108.3340	0.000	1	108.3340	0.000	1	108.1953	0.118	4	108.1953	0.118	4	108.9141	2.370	32	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]HH)(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHH)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHH){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	109.0170	0.000	1	109.0170	0.000	1	109.3985	0.109	4	109.3814	0.084	5	108.9141	2.370	32	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]HH)(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	109.5257	0.259	3	109.5257	0.067	3	109.3985	0.109	4	109.3814	0.084	5	108.9141	2.370	32	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]HH)(O)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO)	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2	C[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]HH)(O){3|H<1>,4|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO){1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2{2|H<1>,5|C<4>}	109.3130	0.000	1	109.3130	0.000	1	109.3130	0.000	1	109.3814	0.084	5	108.9141	2.370	32	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6,6]	C[5]	4:4:1:	4:4:4:3:	3:4:1:1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,6,6]O)(C[5]C[5,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(O){1|N<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[5]C[5]O){10|H<1>,1|C<3>,2|C<4>}	C[5](C[5]C[5,6,6]O)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	109.1890	0.000	1	109.1890	0.000	1	109.1890	0.000	1	109.1890	0.000	1	108.9141	2.370	32	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6,6]	C[5]	4:4:1:	4:4:4:3:	4:3:1:1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:C[5]-3:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5,6,6]HH)(O)	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]O[5]H)(C[5]C[5]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5,6,6]HH)(O){1|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]O[5]H)(C[5]C[5]O){1|N<3>,2|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2{2|H<1>,5|C<4>}	109.5640	0.000	1	109.5640	0.000	1	109.5640	0.000	1	109.5640	0.000	1	108.9141	2.370	32	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6,6]	C[5]	4:4:1:	4:4:4:3:	4:3:2:2:	C[5,6,6]-4:C[5]-4:O-1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6]-4:C[5]-3:O-2:O-2:	C[5](C[5,6,6]C[5,6]C[6,6]2)(C[5]C[5,6]OO)(O)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(C[6,6]C[6]2O)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(OC)2	C[5](C[5,6,6]C[5,6]C[6,6]2)(C[5]C[5,6]OO)(O){1|O<2>,3|H<1>,6|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(C[6,6]C[6]2O)(C[5]C[5]O){2|O<2>,4|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(OC)2{3|C<4>,4|H<1>}	109.0495	0.074	2	109.0495	0.006	2	109.0495	0.006	2	109.0495	0.006	2	108.9141	2.370	32	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6,6]	C[5]	4:4:3:	3:4:4:3:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C-3:	N[5,6]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(CCO)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6,6]C)(C[5]N[5,6]HH)(H)2	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(CCO){1|O<2>,4|C<4>,4|H<1>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(C[5]C[5]C){10|H<1>,4|C<4>}	C[5](C[5]C[5,6,6]C)(C[5]N[5,6]HH)(H)2{3|C<4>}	107.0730	0.000	1	107.0730	0.000	1	107.0730	0.000	1	107.0730	0.000	1	108.9141	2.370	32	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6,6]	C[5]	4:4:3:	4:3:3:3:	3:3:1:1:	C[5,6,6]-4:C[5]-4:C-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:C[6]-3:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(CCH)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]C)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(CCH){1|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]H){1|C<4>,3|C<3>,6|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	107.0860	0.000	1	107.0860	0.000	1	107.0860	0.000	1	107.0860	0.000	1	108.9141	2.370	32	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5,5,6]	4:4:1:	4:3:4:1:	4:4:3:3:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]O)(C[6]C[6]CC)(H)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]O)(C[5]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(O){1|C<3>,4|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]O)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]O)(C[5]C[5]H){4|H<1>,5|C<4>}	107.5020	0.000	1	107.5020	0.000	1	107.5020	0.000	1	107.5020	0.000	1	107.5020	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5,5]	4:4:1:	2:3:4:4:	4:3:4:1:	C[5,5]-4:C[5,6]-4:O-1:	O[5,6]-2:C[5]-3:C[6]-4:C-4:	C[5,5,6]-4:C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(O)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]O)(C[6]C[6]HO)(CH3)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]O)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]O)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]O)(C[5]C[5]HH)(H){2|H<1>,5|C<4>}	106.6050	0.000	1	106.6050	0.000	1	106.6050	0.000	1	106.6050	0.000	1	108.2857	0.988	23	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5,5]	4:4:1:	3:3:3:3:	3:3:3:1:	C[5,5]-4:C[5,6]-4:H-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,5]-3:C[5]-3:N[5]-3:H-1:	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]2)(H)	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]H)(C[6]C[6]H)2	C[5,5](C[5,5]C[5]O[5])(C[5]C[5,6]H)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]2)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]H)(C[6]C[6]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5])(C[5]C[5,6]H)(N[5]C[5]C)(H){1|N<2>,3|C<3>}	106.6050	0.000	1	106.6050	0.000	1	106.6050	0.000	1	106.6050	0.000	1	108.2857	0.988	23	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5,5]	4:4:1:	3:4:3:4:	4:3:4:2:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:C[5]-4:O-2:	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH){1|C<3>,1|O<1>,5|C<4>}	108.1800	0.000	1	108.3765	0.077	2	108.3765	0.077	2	108.3765	0.077	2	108.2857	0.988	23	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5,5]	4:4:1:	3:4:3:4:	4:3:4:2:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:C[5]-4:O-2:	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH){1|C<3>,1|O<1>,5|C<4>}	108.5730	0.000	1	108.3765	0.077	2	108.3765	0.077	2	108.3765	0.077	2	108.2857	0.988	23	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5,5]	4:4:1:	4:2:3:4:	4:3:2:1:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6]-4:O[5,6]-2:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:O[5]-2:H-1:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6]O[5,6]C)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]O)(CH3)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]O)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6]O[5,6]C)(O){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]O)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]O)(O[5]C[5])(H){1|C<3>,2|C<4>,6|H<1>}	106.8550	0.000	1	106.8550	0.000	1	106.8550	0.000	1	106.8550	0.000	1	108.2857	0.988	23	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5,5]	4:4:1:	4:3:4:1:	4:3:2:1:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5,6]O)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,5|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5,6]O)(O[5]C[5])(H){1|C<3>,2|H<1>,3|C<4>}	108.9190	0.477	4	108.9190	0.227	4	108.9190	0.227	4	108.9190	0.227	4	108.2857	0.988	23	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5,5]	4:4:1:	4:3:4:1:	4:3:3:1:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]O)(C[6]C[6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]O)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(O){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]O)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]O)(C[5]O[5]O)(H){3|C<4>,3|H<1>}	107.1410	0.379	2	107.1410	0.144	2	107.1410	0.144	2	107.1410	0.144	2	108.2857	0.988	23	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5,5]	4:4:1:	4:3:4:2:	4:3:4:1:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-4:O-2:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]O)(O)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(OH)	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]O)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]O)(O){1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]O)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,5|H<1>}	109.6680	0.288	2	109.6680	0.083	2	109.6680	0.083	2	109.6680	0.083	2	108.2857	0.988	23	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5,5]	4:4:1:	4:3:4:4:	3:4:2:3:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5]-3:C[5]-4:O[5]-2:C[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])(O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3)	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])(O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C){1|H<1>,6|C<4>}	108.9980	0.000	1	108.5490	0.152	3	108.5490	0.152	3	108.5490	0.152	3	108.2857	0.988	23	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5,5]	4:4:1:	4:3:4:4:	3:4:2:3:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5]-3:C[5]-4:O[5]-2:C[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])(O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3)	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])(O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C){1|H<1>,6|C<4>}	108.3245	0.030	2	108.5490	0.152	3	108.5490	0.152	3	108.5490	0.152	3	108.2857	0.988	23	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5,5]	4:4:1:	4:4:3:3:	3:3:4:3:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:N[5,5]-3:C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O)	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[5,5](C[5]C[5,6]O)(N[5,5]C[5]2)(C[5]O[5]HH)(COO)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){2|H<1>,3|C<3>,4|C<4>}	C[5,5](C[5]C[5,6]O)(N[5,5]C[5]2)(C[5]O[5]HH)(COO){1|H<1>,1|O<1>,3|C<4>}	108.2270	0.000	1	108.2270	0.000	1	108.2270	0.000	1	108.5360	0.077	5	108.2857	0.988	23	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5,5]	4:4:1:	4:4:3:3:	3:3:4:3:	C[5,6]-4:C[5,5]-4:O-1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:N[5,5]-3:C[5]-4:C-3:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O)	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[5,5](C[5]C[5,6]O)(N[5,5]C[5]2)(C[5]O[5]HH)(COO)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[5,5](C[5]C[5,6]O)(N[5,5]C[5]2)(C[5]O[5]HH)(COO){1|H<1>,1|O<1>,3|C<4>}	108.5760	0.000	1	108.5360	0.058	3	108.6132	0.063	4	108.5360	0.077	5	108.2857	0.988	23	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5,5]	4:4:1:	4:4:3:3:	3:3:4:3:	C[5,6]-4:C[5,5]-4:O-1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:N[5,5]-3:C[5]-4:C-3:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O)	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[5,5](C[5]C[5,6]O)(N[5,5]C[5]2)(C[5]O[5]HH)(COO)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5]C[5,6]O)(N[5,5]C[5]2)(C[5]O[5]HH)(COO){1|H<1>,1|O<1>,3|C<4>}	108.2770	0.000	1	108.5360	0.058	3	108.6132	0.063	4	108.5360	0.077	5	108.2857	0.988	23	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5,5]	4:4:1:	4:4:3:3:	3:3:4:3:	C[5,6]-4:C[5,5]-4:O-1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:N[5,5]-3:C[5]-4:C-3:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O)	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[5,5](C[5]C[5,6]O)(N[5,5]C[5]2)(C[5]O[5]HH)(COO)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){2|H<1>,3|C<3>,4|C<4>}	C[5,5](C[5]C[5,6]O)(N[5,5]C[5]2)(C[5]O[5]HH)(COO){1|H<1>,1|O<1>,3|C<4>}	108.7550	0.000	1	108.5360	0.058	3	108.6132	0.063	4	108.5360	0.077	5	108.2857	0.988	23	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5,5]	4:4:1:	4:4:3:3:	3:3:4:3:	C[5,6]-4:C[5,5]-4:O-1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:N[5,5]-3:C[5]-4:C-3:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O)	C[5,6](C[6,6]O[6,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[5,5](C[5]C[5,6]O)(N[5,5]C[5]2)(C[5]S[5]HH)(COO)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O){1|C<3>,1|O<1>,1|O<3>,1|S<2>,2|C<4>,5|H<1>}	C[5,6](C[6,6]O[6,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|H<1>,1|N<3>,1|O<2>,2|C<3>,4|C<4>}	C[5,5](C[5]C[5,6]O)(N[5,5]C[5]2)(C[5]S[5]HH)(COO){1|H<1>,1|O<1>,3|C<4>}	108.8450	0.000	1	108.8450	0.000	1	108.6132	0.063	4	108.5360	0.077	5	108.2857	0.988	23	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5,5]	4:4:1:	4:4:3:4:	4:3:3:1:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5,5]C[5]H)(O)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]O)(CH3)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]O)(C[5]O[5]O)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5,5]C[5]H)(O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]O)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]O)(C[5]O[5]O)(H){1|C<3>,2|H<1>,3|C<4>}	109.4360	0.000	1	109.4360	0.000	1	109.4360	0.000	1	109.4360	0.000	1	108.2857	0.988	23	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5,5]	4:4:3:	4:3:4:1:	3:2:3:2:	C[5,6]-4:C[5,5]-4:C-3:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5]-3:O[5]-2:C[5]-3:O[5]-2:	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]2)(CHH)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H)	C[5,5](C[5]C[5,6]C)(O[5]C[5,6])(C[5]C[5]O)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]2)(CHH){1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5]C[5,6]C)(O[5]C[5,6])(C[5]C[5]O)(O[5]C[5]){4|C<4>,4|H<1>}	106.6970	0.000	1	106.6970	0.000	1	106.6970	0.000	1	106.6970	0.000	1	108.2857	0.988	23	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5,6]	4:4:1:	4:3:3:1:	4:3:4:4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]O)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]C[5,6]C[6]C)(O){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]O)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	109.6500	0.000	1	109.6500	0.000	1	109.6500	0.000	1	109.6500	0.000	1	109.3363	0.558	3	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5,6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)2(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]O)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)2(O){1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]O)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	108.4840	0.000	1	108.4840	0.000	1	108.4840	0.000	1	108.4840	0.000	1	109.3363	0.558	3	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5,6]	4:4:2:	4:4:3:4:	4:3:2:1:	C[5,6]-4:C[5,6]-4:N-2:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:O[6]-2:H-1:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(NO)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N)(CH3)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]N)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(NO){2|H<1>,6|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N)(CH3){1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]N)(O[6]C[6])(H){2|H<1>,7|C<4>}	109.8750	0.000	1	109.8750	0.000	1	109.8750	0.000	1	109.8750	0.000	1	109.3363	0.558	3	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	3:3:3:2:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	N[5,6]-3:C[5]-3:C[6]-3:S-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]N[6]O)(SC)	C[5](C[5]N[5,6]CH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]N[6]O)(SC){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]N[5,6]CH)(C[5]C[5,6]O)(H)2{1|S<2>,2|C<3>}	107.1100	0.000	1	107.1100	0.000	1	107.1100	0.000	1	107.1100	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	3:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:Cl-1:H-1:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]ClH)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(C[5]C[5]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(Cl)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]ClH)(O){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(Cl)(H){1|C<4>,2|C<3>,4|H<1>}	106.7980	0.000	1	106.7980	0.000	1	106.6315	0.055	2	106.6315	0.055	2	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	3:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:Cl-1:H-1:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]ClH)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(Cl)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]ClH)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(Cl)(H){3|C<3>,4|H<1>}	106.4650	0.000	1	106.4650	0.000	1	106.6315	0.055	2	106.6315	0.055	2	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	3:4:3:2:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5]HH)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(OH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5]HH)(O){3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(OH){4|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	107.6930	0.000	1	107.6930	0.000	1	107.6930	0.000	1	107.6930	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	3:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CCHH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CCHH){1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2{1|O<1>,1|O<2>,4|C<4>}	109.3150	0.000	1	109.3150	0.000	1	109.3626	0.104	9	108.9701	0.616	12	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	3:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O){1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2{1|O<1>,2|C<3>,2|C<4>}	109.5570	0.000	1	109.3685	0.118	8	109.3626	0.104	9	108.9701	0.616	12	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	3:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2{1|H<1>,1|O<1>,4|C<4>}	109.1836	0.279	5	109.3685	0.118	8	109.3626	0.104	9	108.9701	0.616	12	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	3:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2{1|O<1>,1|O<2>,4|C<4>}	109.7365	0.200	2	109.3685	0.118	8	109.3626	0.104	9	108.9701	0.616	12	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	3:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[4,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[4,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3){1|O<2>,4|C<4>,6|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|C<3>,3|C<4>}	107.4590	0.000	1	107.4590	0.000	1	107.5395	0.013	2	108.9701	0.616	12	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	3:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O){1|C<3>,1|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]O)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|C<3>,3|C<4>}	107.6200	0.000	1	107.6200	0.000	1	107.5395	0.013	2	108.9701	0.616	12	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	3:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:Cl-1:H-1:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]ClH)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(Cl)(H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]ClH)(O){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){1|Cl<1>,1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(Cl)(H){1|C<3>,1|H<1>,2|C<4>}	108.2990	0.000	1	108.2990	0.000	1	108.2990	0.000	1	108.9701	0.616	12	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	3:4:3:4:	4:3:3:1:	C[5,6]-4:C[5]-4:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]C[6a]H)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]O)(CCHH)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]C[6a]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]O)(CCHH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(H){1|C<4>,4|C<3>,5|H<1>}	108.7600	0.000	1	108.7600	0.000	1	108.7600	0.000	1	108.8575	0.019	2	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	3:4:3:4:	4:3:3:1:	C[5,6]-4:C[5]-4:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:H-1:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]CH)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CN[5]O)(H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]CH)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){1|O<2>,4|C<3>,5|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CN[5]O)(H){1|H<1>,2|C<4>,3|C<3>}	108.9550	0.000	1	108.9550	0.000	1	108.9550	0.000	1	108.8575	0.019	2	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	3:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,6]O)(C[5]C[5]CH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|O<2>,4|C<4>,6|H<1>}	C[5](C[5]C[5,6]O)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	110.9360	0.000	1	110.9360	0.000	1	110.6135	0.081	4	110.0586	0.429	8	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	3:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,6]O)(C[5]C[5]CH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5]C[5,6]O)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	110.6640	0.000	1	110.5060	0.053	3	110.6135	0.081	4	110.0586	0.429	8	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	3:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,6]O)(C[5]C[5]CH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5]C[5,6]O)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	110.4270	0.260	2	110.5060	0.053	3	110.6135	0.081	4	110.0586	0.429	8	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	3:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:O-1:	C[6,6a]-3:C[5]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O)	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(O){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.3820	0.244	3	109.3820	0.059	3	109.3820	0.059	3	110.0586	0.429	8	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	3:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:O-1:	C[6,6a]-3:C[6]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(O){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.8690	0.000	1	109.8690	0.000	1	109.8690	0.000	1	110.0586	0.429	8	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:2:3:2:	3:4:4:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5]-3:C[5]-4:C-4:H-1:	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]CH)(O){1|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5]){1|C<3>,3|H<1>,8|C<4>}	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCHH)(H){1|C<4>,1|O<2>}	108.3550	0.000	1	108.3550	0.000	1	107.9490	0.330	2	107.9490	0.330	2	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:2:3:2:	3:4:4:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5]-3:C[5]-4:C-4:H-1:	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCHO)(H)	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]CH)(O){1|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5]){1|C<3>,3|H<1>,8|C<4>}	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCHO)(H){1|C<4>,1|O<2>}	107.5430	0.000	1	107.5430	0.000	1	107.9490	0.330	2	107.9490	0.330	2	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:2:3:2:	4:3:4:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:O[6]-2:C[5]-3:O[5]-2:	C[6]-4:C[5]-3:C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5])	C[5](C[6]C[6]O[6]H)(C[5]C[5,6]O)(C[5]O[5]CC)(H)	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]C[6]H)(O){1|O<2>,2|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5]){1|C<3>,3|H<1>,8|C<4>}	C[5](C[6]C[6]O[6]H)(C[5]C[5,6]O)(C[5]O[5]CC)(H){1|O<2>,2|H<1>,3|C<4>}	108.2420	0.000	1	108.2420	0.000	1	108.2420	0.000	1	108.2420	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:2:3:3:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6,6]-4:O[5,6]-2:C[5]-3:C-3:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6,6]O[5,6]C)(C[5]C[5,5,6]HH)(O)	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(O[5,6]C[5,5,6])(C[5]C[5]O)(COO)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6,6]O[5,6]C)(C[5]C[5,5,6]HH)(O){1|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(O[5,6]C[5,5,6])(C[5]C[5]O)(COO){1|O<2>,4|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	105.8910	0.000	1	105.8910	0.000	1	105.8910	0.000	1	105.8910	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:3:2:4:	4:3:4:2:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:O[6]-2:C-4:	C[5]-4:C[5]-3:C-4:O-2:	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]CO)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(O[6]C[6])(CH3)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(OH)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]CO)(O){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(O[6]C[6])(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	110.9135	0.214	2	110.9135	0.046	2	110.9135	0.046	2	110.9135	0.046	2	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]HH)(O)	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[6]C[5,6]C)(C[5]C[5]O)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]HH)(O){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[6]C[5,6]C)(C[5]C[5]O)(H){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5,6]O)(H)2{1|H<1>,2|C<3>,4|C<4>}	106.4980	0.000	1	106.4980	0.000	1	106.4980	0.000	1	107.9367	0.888	6	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(O)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]O)(C[6]O[6]O)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]O)(C[6]O[6]O)(H){1|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	108.2970	0.000	1	108.2970	0.000	1	108.2970	0.000	1	107.9367	0.888	6	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6,6]-4:C[6,6]-3:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6,6]HH)(O)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6,6]HH)(O){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H){5|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	107.3080	0.000	1	107.3080	0.000	1	107.3080	0.000	1	107.9367	0.888	6	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]O)(C[6]C[6]C)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]O)(C[6]C[6]C)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	108.0920	0.000	1	108.0920	0.000	1	108.6800	0.691	2	107.9367	0.888	6	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	109.2680	0.000	1	109.2680	0.000	1	108.6800	0.691	2	107.9367	0.888	6	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6,6]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H){1|O<1>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	108.1570	0.000	1	108.1570	0.000	1	108.1570	0.000	1	107.9367	0.888	6	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:3:3:3:	4:3:2:1:	C[5,6]-4:C[5]-4:O-1:	C[6,6]-4:C[5,6]-3:C[5]-3:C-3:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5,6]HO)(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5]C[5]O)(COO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5,6]HO)(O){2|C<3>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5]C[5]O)(COO){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	108.5660	0.000	1	108.5660	0.000	1	108.5660	0.000	1	108.5660	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:3:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	108.6060	0.000	1	108.6060	0.000	1	108.6060	0.000	1	108.6060	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:3:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:O-1:	C[6]-4:C[6]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5,6]O)(C[5]C[5]CC)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(C[5]C[5]HH)(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6]O)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	108.9450	0.000	1	108.9450	0.000	1	108.9450	0.000	1	108.9450	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:3:4:3:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5,6]HH)(O)	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5,6]HH)(O){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,3|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.4620	0.000	1	108.4620	0.000	1	108.4620	0.000	1	108.4620	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	3:2:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(O)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(O){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(C[5]C[5]O)(H){1|C<3>,1|N<3>,5|H<1>}	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2{1|H<1>,3|C<4>}	106.3830	0.000	1	107.6503	1.207	3	107.6503	1.207	3	107.6503	1.207	3	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	3:2:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(O)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(O){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(C[5]C[5]O)(H){1|C<3>,1|N<4>,5|H<1>}	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2{1|H<1>,3|C<4>}	108.2840	0.064	2	107.6503	1.207	3	107.6503	1.207	3	107.6503	1.207	3	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(O)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]CH)(C[5]C[5]O)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]CH)(C[5]C[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	110.2980	0.000	1	110.2980	0.000	1	109.0640	2.014	3	109.0640	2.014	3	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(O)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(O){2|H<1>,4|C<3>}	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	108.4470	1.321	2	108.4470	1.745	2	109.0640	2.014	3	109.0640	2.014	3	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)2{2|C<4>,5|H<1>}	108.5010	0.000	1	108.5010	0.000	1	108.5010	0.000	1	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2{1|H<1>,3|C<4>}	103.6080	0.000	1	103.7975	0.072	2	103.7975	0.072	2	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H){2|C<3>,2|C<4>,8|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2{1|H<1>,3|C<4>}	103.9870	0.000	1	103.7975	0.072	2	103.7975	0.072	2	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[3x5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]HH)(O)	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]HH)(C[5]C[5]O)(H){2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	109.5515	0.564	2	109.2033	0.522	3	109.2033	0.522	3	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[3x5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]HH)(O)	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]HH)(O){3|H<1>,4|C<4>}	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,4|C<4>,7|H<1>}	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]O)(H)2{3|H<1>,4|C<4>}	108.5070	0.000	1	109.2033	0.522	3	109.2033	0.522	3	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]HH)(O)	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[6]C[6]CH)(C[5]C[5]O)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[6]C[6]CH)(C[5]C[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	107.6220	0.683	2	107.6220	0.467	2	107.6220	0.467	2	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6a]C[5]C[6])(C[5]C[5]O)(H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6a]C[5]C[6])(C[5]C[5]O)(H){1|N<3>,2|O<1>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	109.5920	0.042	2	109.5920	0.002	2	109.5920	0.002	2	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(O){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	109.4540	0.000	1	109.4417	0.014	3	109.3577	0.092	7	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(O){2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	109.4355	0.165	2	109.4417	0.014	3	109.3577	0.092	7	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(O){3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<2>,9|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	108.9690	0.042	2	108.9690	0.002	2	109.3577	0.092	7	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(H){2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.7960	0.000	1	109.7960	0.000	1	109.3577	0.092	7	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.4450	0.000	1	109.4450	0.000	1	109.3577	0.092	7	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:Br-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]Br)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Br)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]Br)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Br){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|Br<1>,1|H<1>,2|C<4>}	107.6260	0.000	1	107.6260	0.000	1	107.6260	0.000	1	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:Cl-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]Cl)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Cl)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]Cl)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Cl){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|Cl<1>,1|H<1>,2|C<4>}	106.9045	0.006	2	106.9045	0.000	2	106.9045	0.000	2	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]O)(H){2|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<2>,1|H<1>,2|C<4>}	108.8830	0.000	1	108.4454	0.699	12	108.6281	0.673	23	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O){2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]O)(H){2|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	108.4056	0.865	11	108.4454	0.699	12	108.6281	0.673	23	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H){1|C<4>,8|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	109.1230	0.000	1	109.5277	0.180	4	108.6281	0.673	23	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	109.2140	0.000	1	109.5277	0.180	4	108.6281	0.673	23	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	109.8870	0.139	2	109.5277	0.180	4	108.6281	0.673	23	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	108.9090	0.000	1	109.0505	0.040	2	108.6281	0.673	23	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	109.1920	0.000	1	109.0505	0.040	2	108.6281	0.673	23	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(H){3|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	107.7515	0.291	2	107.7515	0.084	2	108.6281	0.673	23	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{2|C<4>,2|H<1>}	108.0920	0.148	2	108.0920	0.022	2	108.6281	0.673	23	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O){1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]O)(H){4|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.2020	0.000	1	109.2020	0.000	1	108.6281	0.673	23	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]O)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	109.9210	0.000	1	109.9210	0.000	1	109.4420	1.238	6	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O){1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	110.2435	0.552	2	110.2435	0.305	2	109.4420	1.238	6	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O){2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|O<2>,4|C<4>,7|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	107.6920	0.000	1	107.6920	0.000	1	109.4420	1.238	6	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O){3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){4|C<4>,8|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	108.4850	0.000	1	108.4850	0.000	1	109.4420	1.238	6	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){4|C<4>,8|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	110.0670	0.000	1	110.0670	0.000	1	109.4420	1.238	6	108.5749	1.858	49	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:4:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:Br-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5,6]C[5,6]C[6]Br)(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(C[5]C[5]O)(Br)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]Br)(C[5]C[5]CH)(O){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(C[5]C[5]O)(Br){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	107.4260	0.000	1	107.4260	0.000	1	107.4260	0.000	1	107.4260	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:4:3:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCHH)(CCC)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(O){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCHH)(CCC){1|H<1>,3|C<4>}	109.3790	0.115	2	109.3790	0.013	2	109.3790	0.013	2	109.3790	0.013	2	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:2:	3:4:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5]-4:C[6]-4:C[5]-3:O[6]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]C[5]O)(O[6]C[6])	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(O){3|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]C[5]O)(O[6]C[6]){1|C<4>,8|H<1>}	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	108.9180	0.000	1	108.9180	0.000	1	108.9180	0.000	1	108.9180	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:2:	4:3:3:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:C-3:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(OH)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(COO)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(OH){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(COO)(H){1|O<2>,2|C<3>,3|C<4>}	109.7890	0.000	1	109.7890	0.000	1	109.7890	0.000	1	109.7890	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:2:	4:3:4:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]BrH)(C[5]C[5]O)(OH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(O){1|Br<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]BrH)(C[5]C[5]O)(OH){1|O<2>,3|H<1>,5|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	107.3500	0.000	1	107.3500	0.000	1	107.3500	0.000	1	107.3500	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:3:	3:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5]C[5,6]O)(C[5]C[5]C)(H)2	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(O){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(C[5]C[5]H)(C[5]C[5]O){5|H<1>,6|C<4>}	C[5](C[5]C[5,6]O)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	108.5280	0.000	1	108.5280	0.000	1	108.5280	0.000	1	108.5280	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:3:	3:3:3:3:	C[5,6]-4:C[5]-4:O-1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:N-3:	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]N)(O)	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(N[5]C[5]H)	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O)(NOO)	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]N)(O){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O)(NOO){2|C<3>,2|H<1>,3|C<4>}	108.5460	0.000	1	108.5460	0.000	1	108.5460	0.000	1	108.5460	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:3:	3:4:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[5]C[5]O)(C[6]C[6]H)	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.6500	0.000	2	109.6500	0.000	2	109.6500	0.000	2	108.8741	0.414	7	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:3:	3:4:1:1:	C[5,6]-4:C[5]-4:O-1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O)	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,1|S<4>,6|H<1>}	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	108.6150	0.557	2	108.6150	0.310	2	108.5638	0.199	5	108.8741	0.414	7	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:3:	3:4:1:1:	C[5,6]-4:C[5]-4:O-1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[6]C[6,6a]CH)(C[5]C[5]HH)(C[5]C[5]O)(C[6]O[6]O)	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5,6](C[6]C[6,6a]CH)(C[5]C[5]HH)(C[5]C[5]O)(C[6]O[6]O){2|C<3>,4|H<1>}	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.0850	0.000	1	109.0850	0.000	1	108.5638	0.199	5	108.8741	0.414	7	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:3:	3:4:1:1:	C[5,6]-4:C[5]-4:O-1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O)	C[5](C[5]C[5,6]O)(C[5]C[5]CC)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6]O)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	108.2520	0.119	2	108.2520	0.014	2	108.5638	0.199	5	108.8741	0.414	7	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:3:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]O)(COO)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]O)(COO){1|C<3>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	107.6070	0.000	1	107.6070	0.000	1	108.2334	0.203	5	108.2334	0.203	5	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:3:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(COO)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(COO){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	108.2800	0.298	3	108.3900	0.108	4	108.2334	0.203	5	108.2334	0.203	5	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:3:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(COO)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(COO){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	108.7200	0.000	1	108.3900	0.108	4	108.2334	0.203	5	108.2334	0.203	5	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:3:	4:3:3:2:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:O-2:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5,6]C[6a]O)(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5,6]C[6a]O)(O){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	109.0990	0.000	1	109.0990	0.000	1	109.0990	0.000	1	109.2580	0.055	3	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:3:	4:3:3:2:	C[5,6]-4:C[5]-4:O-1:	C[6,6]-4:C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:O-2:	C[5](C[5,6]C[5,6]C[6,6]C[6a])(C[5]C[5,6]C[6a]O)(O)	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH)	C[5](C[5,6]C[5,6]C[6,6]C[6a])(C[5]C[5,6]C[6a]O)(O){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<4>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	109.3375	0.269	2	109.3375	0.073	2	109.3375	0.073	2	109.2580	0.055	3	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	3:2:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(O)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(O){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,6|H<1>}	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>}	107.3470	0.000	1	107.3470	0.000	1	107.3470	0.000	1	107.3470	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	3:2:4:3:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:C-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)(O)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]CH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)(O){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]CH)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO){4|C<4>}	108.0350	0.000	1	108.8555	1.346	2	108.8555	1.346	2	108.8555	1.346	2	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	3:2:4:3:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:C-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)(O)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]CH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]CH)(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO){1|C<3>,3|C<4>}	109.6760	0.000	1	108.8555	1.346	2	108.8555	1.346	2	108.8555	1.346	2	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[3,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,7|H<1>}	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	108.0090	0.000	1	108.0090	0.000	1	108.0090	0.000	1	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,5,6]C[3,5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,3|C<4>}	108.2990	0.047	2	108.2990	0.002	2	108.0823	0.142	3	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,2|O<2>,7|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]O)(H)2{4|C<4>}	107.6490	0.000	1	107.6490	0.000	1	108.0823	0.142	3	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]2C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]2C)(C[5]C[5]HH)(O){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]O)(CH3){4|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	107.9140	0.037	2	107.9140	0.001	2	107.9140	0.001	2	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]HH)(O)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]HH)(O){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]O)(H)2{1|C<3>,4|H<1>,5|C<4>}	108.8830	0.000	1	109.2565	0.279	2	109.2565	0.279	2	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]HH)(O)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]HH)(O){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]O)(H)2{3|C<3>,3|C<4>,4|H<1>}	109.6300	0.000	1	109.2565	0.279	2	109.2565	0.279	2	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5]-3:Br-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]BrH)(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(Br)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]BrH)(O){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|Br<1>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(Br)(H){5|C<4>,5|H<1>}	107.5050	0.000	1	107.5050	0.000	1	107.5050	0.000	1	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CCHH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(H)2{2|C<3>,3|C<4>,4|H<1>}	108.6220	0.000	1	108.6220	0.000	1	109.0434	0.158	5	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(O){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(H)2{5|C<4>,5|H<1>}	109.1488	0.370	4	109.1488	0.137	4	109.0434	0.158	5	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|B<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|O<2>,8|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|B<3>,3|C<4>}	109.4560	0.000	1	109.4560	0.000	1	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	108.0440	0.000	1	108.0440	0.000	1	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]O)(CH3){2|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{4|C<4>}	109.3360	0.351	2	109.3360	0.123	2	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3){1|C<4>,8|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	109.7415	0.011	2	109.7415	0.000	2	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	108.5400	0.000	1	108.5595	0.001	2	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	108.5790	0.000	1	108.5595	0.001	2	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,1|O<2>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	108.5170	0.000	1	108.3460	0.058	2	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,8|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	108.1750	0.000	1	108.3460	0.058	2	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CC[5]HH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CC[5]HH){1|C<3>,8|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	109.4960	0.000	1	109.4960	0.000	1	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	109.0495	0.825	2	109.2416	0.215	5	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	109.3697	0.167	3	109.2416	0.215	5	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CHHO)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CHHO){1|C<3>,1|O<1>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	110.2970	0.000	1	110.2970	0.000	1	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	109.8720	0.000	1	109.4585	0.129	6	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|N<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	109.3758	0.331	5	109.4585	0.129	6	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	109.1430	0.000	1	109.1505	0.000	2	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	109.1580	0.000	1	109.1505	0.000	2	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	108.3980	0.000	1	108.3321	0.467	104	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	109.2975	0.709	2	108.3321	0.467	104	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|F<1>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	108.3450	0.000	1	108.3321	0.467	104	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	108.4320	0.000	1	108.3321	0.467	104	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	107.5377	0.290	3	108.3321	0.467	104	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	108.8000	0.000	1	108.3321	0.467	104	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	108.0410	0.000	1	108.3321	0.467	104	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	108.3331	0.683	94	108.3321	0.467	104	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	108.5500	0.000	1	108.2580	0.171	2	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,2|O<2>,5|H<1>}	C[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	107.9660	0.000	1	108.2580	0.171	2	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	108.1400	0.000	1	108.2805	0.039	2	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	108.4210	0.000	1	108.2805	0.039	2	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6,6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6,6]HH)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	109.4145	0.502	4	109.4145	0.252	4	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	109.7210	0.000	1	109.6912	0.409	8	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	109.1053	0.249	3	109.6912	0.409	8	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|N<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	110.1363	0.693	3	109.6912	0.409	8	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	110.0840	0.000	1	109.6912	0.409	8	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HO)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HO)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	110.1550	0.000	1	110.1550	0.000	1	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	108.4250	0.000	1	108.4250	0.000	1	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6a]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){3|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	109.8630	0.000	1	109.8630	0.000	1	108.6065	0.635	148	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:N[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6]CC)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]C[3]H)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(O){2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6]CC)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C[5](C[5]C[5,6]C[3]H)(C[5]C[5,6]O)(H)2{1|N<4>,2|H<1>,4|C<4>}	106.6500	0.000	1	106.6500	0.000	1	106.6500	0.000	1	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O){3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){3|C<4>,9|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	108.5935	0.140	4	108.5935	0.020	4	108.5935	0.020	4	108.5875	0.624	167	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:3:2:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:O-2:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(COO)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO)(O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(COO)(OH){1|H<1>,3|C<4>}	108.4105	0.067	2	108.4105	0.005	2	108.4105	0.005	2	108.7325	0.140	4	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:3:2:	C[5,6]-4:C[5]-4:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[6a]C[5]O)(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[6a]C[5]O)(O){2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	109.0545	0.026	2	109.0545	0.001	2	109.0545	0.001	2	108.7325	0.140	4	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:3:3:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCC)(COO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(O){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCC)(COO){1|H<1>,3|C<4>}	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:4:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]CH)(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(CHHO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]CH)(O){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(CHHO)(H){5|C<4>,5|H<1>}	108.8980	0.263	2	108.8980	0.069	2	108.8980	0.069	2	108.8909	0.132	7	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:4:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H){1|H<1>,3|C<4>}	108.7985	0.074	2	108.7985	0.006	2	108.8880	0.180	5	108.8909	0.132	7	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:4:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){3|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[5]HH)(H){1|H<1>,3|C<4>}	109.2045	0.541	2	109.2045	0.293	2	108.8880	0.180	5	108.8909	0.132	7	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:4:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H){1|H<1>,3|C<4>}	108.4340	0.000	1	108.4340	0.000	1	108.8880	0.180	5	108.8909	0.132	7	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:4:2:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:O-2:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO)(O)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CH3)(OH){4|C<4>}	107.3360	0.247	2	107.3360	0.061	2	107.3360	0.061	2	107.3360	0.061	2	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:4:3:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCHH)(COO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCHH)(COO){1|H<1>,3|C<4>}	108.5980	0.000	1	108.5980	0.000	1	108.5980	0.000	1	108.5980	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:4:3:1:	C[5,6]-4:C[5]-4:O-1:	C[3,5,6]-4:C[6]-4:C[5]-3:C-4:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]C[6]H)(O)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[6]C[3,6]C[6]O)(C[5]C[3,5,6]HH)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]C[6]H)(O){2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[5](C[6]C[3,6]C[6]O)(C[5]C[3,5,6]HH)(C[5]C[5,6]O)(H){2|O<2>,3|H<1>,5|C<4>}	109.9990	0.000	1	109.9990	0.000	1	109.9990	0.000	1	109.9990	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[5]C[5]O)	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O){1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,8|H<1>}	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	109.9700	0.141	2	109.9700	0.020	2	109.8927	0.028	3	109.7904	0.188	8	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,6]O)(C[5]C[5]CC)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O){1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,4|C<4>,4|H<1>}	C[5](C[5]C[5,6]O)(C[5]C[5]CC)(H)2{2|C<4>,2|H<1>}	109.7380	0.000	1	109.7380	0.000	1	109.8927	0.028	3	109.7904	0.188	8	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(C[5]C[5]O)	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(C[5]C[5]O){1|C<4>,1|O<1>,6|H<1>}	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	110.5750	0.000	1	110.5750	0.000	1	109.7290	0.303	5	109.7904	0.188	8	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|O<1>,6|H<1>}	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	109.7825	0.069	2	109.7825	0.005	2	109.7290	0.303	5	109.7904	0.188	8	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<4>,1|N<3>,8|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	109.3800	0.000	1	109.3800	0.000	1	109.7290	0.303	5	109.7904	0.188	8	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O)	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){2|C<4>,8|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O){1|C<3>,1|C<4>,7|H<1>}	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	109.1250	0.000	1	109.1250	0.000	1	109.7290	0.303	5	109.7904	0.188	8	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:4:3:	3:4:3:2:	C[5,6]-4:C[5]-4:O-1:	C[6]-4:C[6]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-3:S-2:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CS)(O)	C[5,6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(COO)(SC)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CS)(O){1|O<2>,1|S<2>,2|C<3>,6|H<1>}	C[5,6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(C[5]C[5]O){1|S<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(COO)(SC){2|C<4>,2|H<1>}	109.6105	0.090	2	109.6105	0.008	2	109.6105	0.008	2	109.6105	0.008	2	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:4:3:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(O)	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(O){1|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O){1|O<1>,3|C<4>,7|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]O)(H)2{2|H<1>,5|C<4>}	110.2610	0.225	2	110.1095	0.067	4	110.1095	0.067	4	110.1259	0.062	7	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:4:3:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5,5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(O)	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(O){5|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O){2|O<2>,3|C<4>,7|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]O)(H)2{2|H<1>,5|C<4>}	109.9580	0.243	2	110.1095	0.067	4	110.1095	0.067	4	110.1259	0.062	7	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:4:3:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,7|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	110.2980	0.173	2	110.1477	0.083	3	110.1477	0.083	3	110.1259	0.062	7	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:1:	4:4:4:3:	4:3:1:1:	C[5,6]-4:C[5]-4:O-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,7|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	109.8470	0.000	1	110.1477	0.083	3	110.1477	0.083	3	110.1259	0.062	7	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:2:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:N-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(NO)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]N)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(NO){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]N)(H){2|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2{1|H<1>,3|C<4>}	110.9670	0.000	1	110.9670	0.000	1	110.9670	0.000	1	110.9670	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:2:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:C-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){3|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	108.6320	0.000	1	108.6320	0.000	1	108.6320	0.000	1	109.6833	0.446	12	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:2:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:N-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(NN)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]N)(CH3)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]N)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(NN){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]N)(CH3){2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]N)(H)2{5|C<4>,5|H<1>}	109.5359	0.431	8	109.5359	0.186	8	109.5359	0.186	8	109.6833	0.446	12	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:2:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:N-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(NO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(NO){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3){2|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2{1|H<1>,3|C<4>}	110.4270	0.578	3	110.4270	0.334	3	110.4270	0.334	3	109.6833	0.446	12	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:2:	4:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:N-2:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(NN)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]N)	C[5](C[5]C[5,6]N)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(NN){1|C<3>,1|C<4>,8|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]N){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[5,6]N)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	110.1850	0.000	1	110.1850	0.000	1	110.1850	0.000	1	110.1850	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	2:2:3:3:	3:3:2:1:	C[5,6]-4:C[5]-4:C-3:	O[6]-2:O[6]-2:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:O-2:H-1:	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HO)(CCH)	C[5,6](O[6]C[6,6a])2(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5,6]C)(C[5]C[5]H)(OH)(H)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HO)(CCH){2|C<3>,2|H<1>}	C[5,6](O[6]C[6,6a])2(C[5]C[5]C)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C)(C[5]C[5]H)(OH)(H){1|H<1>,2|O<2>}	109.1790	0.000	1	109.1790	0.000	1	109.1790	0.000	1	109.1790	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]HH)(CCC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]HH)(CCC){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	106.5820	0.000	1	106.5820	0.000	1	106.5820	0.000	1	106.5820	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(CHH)	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]SiH)(C[5]C[5]C)(H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]C)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(CHH){1|Si<4>,1|H<1>,1|N<3>,3|C<4>}	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]SiH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	106.6910	0.000	2	106.6910	0.000	2	106.7444	0.002	5	106.7444	0.002	5	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(CHH)	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]SiH)(C[5]C[5]C)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(CHH){1|Si<4>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]SiH)(C[5]C[5]C)(H){1|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	106.7800	0.000	3	106.7800	0.000	3	106.7444	0.002	5	106.7444	0.002	5	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	3:4:3:3:	3:2:1:1:	C[5,6]-4:C[5]-4:C[4]-3:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(C[4]C[4]2)	C[5,6](C[5]C[4]C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5,6]C[4])(O[5]C[5])(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(C[4]C[4]2){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5]C[4]C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]C[4])(O[5]C[5])(H)2{1|C<4>,2|H<1>,3|C<3>}	105.6980	0.000	1	105.6980	0.000	1	105.6980	0.000	1	105.6980	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:3:3:1:	3:2:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]C)(C[6]C[6]H)(H)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	107.0350	0.000	1	107.0350	0.000	1	107.0350	0.000	1	107.0350	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[3x5,6]-4:C[5]-3:C[6]-3:H-1:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]N[5,5]HH)(CCH)	C[5,6](C[3x5,6]C[5,5,6]N[5,5]N[5])(C[5]C[5]C)(C[6]C[6]H)(H)	C[5](N[5,5]C[3x5,6]C[5])(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]N[5,5]HH)(CCH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6](C[3x5,6]C[5,5,6]N[5,5]N[5])(C[5]C[5]C)(C[6]C[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[5](N[5,5]C[3x5,6]C[5])(C[5]C[5,6]C)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	106.0540	0.000	1	106.0540	0.000	1	106.0540	0.000	1	106.0540	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{2|C<3>,2|C<4>,5|H<1>}	107.6540	0.000	1	107.6540	0.000	1	107.6540	0.000	1	108.3385	0.937	2	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]H)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6]CC)(C[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.0230	0.000	1	109.0230	0.000	1	109.0230	0.000	1	108.3385	0.937	2	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:3:3:2:	3:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[6]-4:C[5]-3:C[5]-3:O[6]-2:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5,6]C[5]C[6]O[6])(C[5]N[5]HH)(CC[6a]H)	C[5,6](C[6]C[6]HH)(C[5]C[5]C)(C[5]N[5]O)(O[6]C[6])	C[5](C[5]C[5,6]C)(N[5]C[5]C)(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5]N[5]HH)(CC[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[6]C[6]HH)(C[5]C[5]C)(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]C)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>,1|O<2>}	106.9680	0.000	1	106.9680	0.000	1	106.9680	0.000	1	106.9680	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:3:3:2:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-3:C[6]-3:C-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CSiH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CSiH){1|O<1>,2|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]O)(CN){1|C<4>,8|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	107.3215	0.323	2	107.3215	0.104	2	107.3215	0.104	2	107.3215	0.104	2	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:3:3:2:	4:3:2:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:O-2:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5](C[5,6]C[5,6,6]C[6,6a]O)(C[5]C[5,6]HO)(CHH)	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(OSi)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]C)(OH)(H)	C[5](C[5,6]C[5,6,6]C[6,6a]O)(C[5]C[5,6]HO)(CHH){1|C<4>,2|O<2>,3|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(OSi){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]C)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	107.9950	0.078	2	107.9950	0.006	2	107.9950	0.006	2	107.9950	0.006	2	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:3:3:3:	3:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6a]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(CCH)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(C[6]C[6]H)	C[5](C[5]C[5,6]C)(N[5]C[5,6]S)(H)2	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(CCH){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(C[6]C[6]H){1|C<4>,1|S<4>,3|C<3>,6|H<1>}	C[5](C[5]C[5,6]C)(N[5]C[5,6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	108.8120	0.000	1	108.8120	0.000	1	108.8120	0.000	1	108.8120	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:3:3:3:	3:4:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CHH)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]C[6]H)2	C[5](C[5]C[5,6]C)(C[5]C[5]CC)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CHH){3|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]C[6]H)2{2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6]C)(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	107.8690	0.390	2	107.8690	0.152	2	107.8690	0.152	2	107.8690	0.152	2	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:3:3:3:	4:3:3:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]CH)(CCH)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(C[6]N[6]O)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]CH)(CCH){2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(C[6]N[6]O)2{3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(CCH)(H){2|C<3>,2|C<4>,3|H<1>}	110.1570	0.000	1	110.1570	0.000	1	110.1570	0.000	1	110.1570	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:3:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CIS)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CIS){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	106.5960	0.000	1	106.5960	0.000	1	106.5960	0.000	1	106.5960	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:3:3:4:	4:3:2:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5]-4:C[5]-3:O-2:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CCHH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CCHH){1|C<3>,2|O<2>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	108.8215	0.183	2	108.8215	0.034	2	108.8215	0.034	2	108.8215	0.034	2	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	3:2:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	107.1245	0.436	2	107.1245	0.190	2	106.5723	0.329	12	106.5723	0.329	12	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	3:2:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]Br)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]BrH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]Br){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]BrH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	105.8930	0.774	2	105.8930	0.598	2	106.5723	0.329	12	106.5723	0.329	12	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	3:2:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]Cl)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]ClH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]Cl){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]ClH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	106.8400	0.153	5	106.8400	0.024	5	106.5723	0.329	12	106.5723	0.329	12	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	3:2:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	105.9470	0.177	2	105.9470	0.031	2	106.5723	0.329	12	106.5723	0.329	12	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	3:2:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|N<2>,4|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	106.7390	0.000	1	106.7390	0.000	1	106.5723	0.329	12	106.5723	0.329	12	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	3:2:4:4:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(CC[5a]H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(CC[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	107.0850	0.000	1	107.0850	0.000	1	107.0850	0.000	1	107.0850	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CSiH)	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(N[5]C[5,6]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CSiH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,1|S<4>,3|H<1>}	C[5](C[5]C[5,6]C)(N[5]C[5,6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	107.2990	0.000	1	107.2990	0.000	1	107.2990	0.000	1	107.2990	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6,6]HH)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5]C)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6,6]HH)(CHH){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5]C)(H){4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,3|C<4>,6|H<1>}	107.2240	0.000	1	107.2240	0.000	1	107.2240	0.000	1	108.0152	0.743	17	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	N[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(CCH)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[6]N[5]H)(C[5]C[5]C)(H)	C[5](N[5]C[5,6]CC)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(CCH){1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[6]N[5]H)(C[5]C[5]C)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](N[5]C[5,6]CC)(C[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.7970	0.000	2	109.7970	0.000	2	109.7970	0.000	2	108.0152	0.743	17	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(CHH)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(CHH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2{1|C<3>,4|C<4>,5|H<1>}	108.3000	0.960	2	108.3000	0.922	2	108.3000	0.922	2	108.0152	0.743	17	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	107.6315	0.106	4	107.5337	0.067	6	107.5704	0.065	7	108.0152	0.743	17	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,3|C<4>,5|H<1>}	107.6420	0.000	1	107.5337	0.067	6	107.5704	0.065	7	108.0152	0.743	17	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{4|C<4>,6|H<1>}	107.0340	0.000	1	107.5337	0.067	6	107.5704	0.065	7	108.0152	0.743	17	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(C[5]C[5]C)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(C[5]C[5]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,3|C<4>,5|H<1>}	107.7910	0.000	1	107.7910	0.000	1	107.5704	0.065	7	108.0152	0.743	17	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHH)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHH){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.1460	0.000	1	108.1460	0.000	1	107.6790	0.118	4	108.0152	0.743	17	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHH)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHH){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(H)2{1|O<2>,3|C<4>,3|H<1>}	107.5233	0.178	3	107.5233	0.032	3	107.6790	0.118	4	108.0152	0.743	17	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]HN)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6]HN)(C[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.1310	0.000	1	109.1310	0.000	1	109.1310	0.000	1	108.0152	0.743	17	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:2:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]HO)(CHH)	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]HO)(CHH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	107.6700	0.000	1	107.4053	0.151	3	107.6183	0.282	4	107.6610	0.371	13	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:2:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]HO)(CHH)	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]HO)(CHH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	107.2730	0.444	2	107.4053	0.151	3	107.6183	0.282	4	107.6610	0.371	13	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:2:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]HO)(CHH)	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]HO)(CHH){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H){3|H<1>,3|O<2>,4|C<4>}	108.2570	0.000	1	108.2570	0.000	1	107.6183	0.282	4	107.6610	0.371	13	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:2:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HO)(CHH)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(OC[6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HO)(CHH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(OC[6])(H){1|O<2>,4|C<4>,5|H<1>}	108.0820	0.000	1	108.0820	0.000	1	108.0820	0.000	1	107.6610	0.371	13	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:2:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OC)(H){1|O<1>,4|C<4>,4|H<1>}	106.8110	0.000	1	107.2000	0.303	2	107.6298	0.487	8	107.6610	0.371	13	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:2:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OC)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	107.5890	0.000	1	107.2000	0.303	2	107.6298	0.487	8	107.6610	0.371	13	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:2:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	108.0263	0.214	3	107.7730	0.523	6	107.6298	0.487	8	107.6610	0.371	13	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:2:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	107.5820	1.455	2	107.7730	0.523	6	107.6298	0.487	8	107.6610	0.371	13	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:2:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H){4|C<4>,6|H<1>}	107.3950	0.000	1	107.7730	0.523	6	107.6298	0.487	8	107.6610	0.371	13	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:2:	3:4:4:1:	C[5,6]-4:C[5]-4:C-3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-4:C-4:H-1:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CC[6a]H)	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5,6]C)(C[5]O[5]HH)(CHHO)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CC[6a]H){2|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5]){2|C<4>,7|H<1>}	C[5](C[5]C[5,6]C)(C[5]O[5]HH)(CHHO)(H){2|C<4>}	107.3920	0.000	1	107.3920	0.000	1	107.3920	0.000	1	107.3920	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:2:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CClH)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]ClH)(C[5]C[5]C)(OC)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CClH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]ClH)(C[5]C[5]C)(OC){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	108.8210	0.000	1	108.8210	0.000	1	108.8210	0.000	1	107.6135	2.916	2	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:2:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC[6])	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CHH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC[6]){2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|O<2>,4|C<4>,5|H<1>}	106.4060	0.000	1	106.4060	0.000	1	106.4060	0.000	1	107.6135	2.916	2	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:2:	4:3:2:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,3x6]HO)(CHH)	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,3x6]HO)(CHH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H){3|H<1>,3|O<2>,4|C<4>}	107.8270	0.000	1	107.8270	0.000	1	107.8270	0.000	1	107.8270	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:2:	4:4:3:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]2H)(CHH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OC[6])	C[5](C[5]C[5,6]O[5]O)(C[5]C[5,6]HO)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]2H)(CHH){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OC[6]){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5](C[5]C[5,6]O[5]O)(C[5]C[5,6]HO)(C[5]C[5,6]C)(H){1|O<2>,7|C<4>}	103.9330	0.000	1	103.9330	0.000	1	103.9330	0.000	1	103.9330	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:3:	3:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CC[6a]Cl)	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H)	C[5](C[5]C[5,6]C)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CC[6a]Cl){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H){1|C<4>,1|S<4>,5|H<1>}	C[5](C[5]C[5,6]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.3705	0.363	2	109.3705	0.132	2	109.7123	0.416	3	109.7123	0.416	3	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:3:	3:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CC[6a]F)	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H)	C[5](C[5]C[5,6]C)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CC[6a]F){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H){1|C<4>,1|S<4>,5|H<1>}	C[5](C[5]C[5,6]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	110.3960	0.000	1	110.3960	0.000	1	109.7123	0.416	3	109.7123	0.416	3	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:3:	3:4:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]Cl)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H)	C[5](C[5]C[5,6]C)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]Cl){1|C<3>,1|C<4>,7|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H){1|C<4>,7|H<1>}	C[5](C[5]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.4940	0.048	2	109.4940	0.002	2	109.4940	0.002	2	109.4940	0.002	2	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:3:	3:4:4:1:	C[5,6]-4:C[5]-4:C-3:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:H-1:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(CCH)	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(N[5]C[5]S)	C[5](C[5]C[5,6]C)(C[5]N[5]HH)(CH3)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(CCH){1|S<4>,2|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(N[5]C[5]S){2|C<4>,7|H<1>}	C[5](C[5]C[5,6]C)(C[5]N[5]HH)(CH3)(H){1|S<4>,2|C<4>}	110.3610	0.000	1	110.3610	0.000	1	110.3610	0.000	1	110.3610	0.000	1	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]HH)(CHH)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]HH)(CHH){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2{1|O<1>,3|H<1>,5|C<4>}	107.7745	0.326	2	107.7745	0.106	2	107.7745	0.106	2	108.0260	0.471	12	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	107.9874	0.462	5	107.9874	0.213	5	107.9566	0.454	9	108.0260	0.471	12	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3){2|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	107.3390	0.209	2	107.3390	0.044	2	107.9566	0.454	9	108.0260	0.471	12	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	107.6660	0.000	1	107.6660	0.000	1	107.9566	0.454	9	108.0260	0.471	12	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	109.3280	0.000	1	109.3280	0.000	1	107.9566	0.454	9	108.0260	0.471	12	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:N-3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(NCuC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(NCuC){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3){2|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2{1|H<1>,3|C<4>}	109.1540	0.000	1	109.1540	0.000	1	109.1540	0.000	1	108.0260	0.471	12	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:3:4:	4:3:4:2:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(CCH)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(CCH){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(CH3)(OH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	109.7170	0.465	2	109.7170	0.216	2	109.7170	0.216	2	109.7170	0.216	2	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:4:3:	3:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CC[6a]2)	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CC[6a]2){1|C<3>,1|N<3>,1|S<4>,6|H<1>}	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>,2|S<4>}	C[5](C[5]C[5,6]C)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	108.2117	0.612	3	108.2117	0.375	3	108.2117	0.375	3	108.2117	0.375	3	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]C[5]C){1|C<4>,1|O<1>,6|H<1>}	C[5](C[5]C[5,6]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	108.9917	0.411	7	108.9917	0.169	7	108.9917	0.169	7	108.9917	0.169	7	108.5249	1.246	440	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,5]	4:4:1:	4:3:1:1:	4:3:3:2:	C[5,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-3:C-2:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]C)(C[5]C[5]O)(CN)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]C)(C[5]C[5]O)(CN){7|H<1>}	107.8710	0.000	1	107.8710	0.000	1	107.8710	0.000	1	107.8710	0.000	1	108.3024	0.762	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,5]	4:4:1:	4:3:1:1:	4:3:3:4:	C[5,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)2(CCHH)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)2(CCHH){8|H<1>}	109.0985	0.566	2	109.0985	0.321	2	109.0985	0.321	2	109.0985	0.321	2	108.3024	0.762	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,5]	4:4:1:	4:3:2:4:	4:3:2:1:	C[5,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(O)	C[5](C[5]C[5,5]C[5]O)(C[5]C[5,5]O)(O[5]C[5,5])(CHHO)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]O)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(O){1|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5,5]C[5]O)(C[5]C[5,5]O)(O[5]C[5,5])(CHHO){2|C<4>,4|H<1>,4|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]O)(O[5]C[5])(H){4|C<4>}	107.0320	0.000	1	107.0320	0.000	1	107.0320	0.000	1	107.0320	0.000	1	108.3024	0.762	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,5]	4:4:1:	4:3:4:4:	4:3:3:1:	C[5,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CHHO)(CH3)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CHHO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]H)(C[5]C[5]O)(H){3|H<1>,4|C<4>}	109.2200	0.000	1	109.2200	0.000	1	109.2200	0.000	1	109.2200	0.000	1	108.3024	0.762	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,5]	4:4:2:	4:3:2:1:	4:3:2:1:	C[5,5]-4:C[5]-4:N-2:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(NO)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]N)(O[5]C[5,5])(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]N)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(NO){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]N)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]N)(O[5]C[5])(H){1|H<1>,3|C<4>}	107.9860	0.000	1	107.9860	0.000	1	107.9860	0.000	1	107.9860	0.000	1	108.3024	0.762	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,5]	4:4:3:	4:3:2:1:	4:3:2:1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCH)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]C)(O[5]C[5,5])(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCH){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]C)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]C)(O[5]C[5])(H){1|H<1>,3|C<4>}	107.8110	0.000	1	107.8110	0.000	1	107.8110	0.000	1	107.8110	0.000	1	108.3024	0.762	7	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,6,6]	4:4:3:	4:3:1:1:	4:3:3:2:	C[5,6,6]-4:C[5]-4:C-3:	C[5,3x6]-4:C[5]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:O-2:	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,3x6]HH)(CHH)	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]C[5,6,6]C)(H)2	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]C)(OSi)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,3x6]HH)(CHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]C[5,6,6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]C)(OSi){1|C<3>,2|C<4>,5|H<1>}	108.1480	0.000	1	108.1480	0.000	1	108.1480	0.000	1	108.1480	0.000	1	108.1480	0.000	1	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,6]	4:4:1:	4:3:1:1:	4:4:3:4:	C[5,6]-4:C[5]-4:O-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(H)2	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(O){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,4|H<1>}	108.8280	0.000	1	108.8280	0.000	1	108.8280	0.000	1	108.8280	0.000	1	107.0909	2.047	34	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,6]	4:4:1:	4:3:4:1:	4:3:3:4:	C[5,6]-4:C[5]-4:O-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5]-3:N[6]-3:C-4:	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CH)(O)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]C)(CH3)	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CH)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]C)(CH3){2|C<3>,2|C<4>,4|H<1>}	106.4730	0.000	1	106.4730	0.000	1	108.2327	2.337	3	108.2327	2.337	3	107.0909	2.047	34	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,6]	4:4:1:	4:3:4:1:	4:3:3:4:	C[5,6]-4:C[5]-4:O-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5]-3:N[6]-3:C-4:	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CH)(O)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]H)(CH3)	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CH)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]H)(CH3){2|C<3>,2|C<4>,4|H<1>}	109.1125	0.169	2	109.1125	0.029	2	108.2327	2.337	3	108.2327	2.337	3	107.0909	2.047	34	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,6]	4:4:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(O)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]O)(CCHH)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(O){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]O)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,4|C<4>,7|H<1>}	109.1780	0.000	1	109.1780	0.000	1	109.1780	0.000	1	109.1780	0.000	1	107.0909	2.047	34	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,6]	4:4:1:	4:3:4:3:	3:3:3:4:	C[5,6]-4:C[5]-4:O-1:	C[5,5,6]-4:C[5]-3:C-4:C-3:	C[5,5,6]-3:C[5]-3:N[6]-3:C-4:	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CC)(O)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(COO)	C[5,6](C[5,5,6]C[5,5,6]N[5])(C[5]C[5]O)(N[6]C[6]C)(CH3)	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CC)(O){1|N<2>,2|C<3>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(COO){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]N[5])(C[5]C[5]O)(N[6]C[6]C)(CH3){2|C<4>,2|H<1>,3|C<3>}	109.1670	0.000	1	109.1670	0.000	1	109.1670	0.000	1	109.1670	0.000	1	107.0909	2.047	34	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,6]	4:4:3:	4:3:1:1:	2:3:3:2:	C[5,6]-4:C[5]-4:C-3:	C[5,5,6]-4:C[5]-3:H-1:H-1:	O[5,6]-2:C[5]-3:C[6]-3:O-2:	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,5,6]HH)(CCC)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]C)(H)2	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]C)(C[6]C[6]H)(OH)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,5,6]HH)(CCC){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]C)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]C)(C[6]C[6]H)(OH){2|H<1>,3|C<4>}	105.0780	0.113	2	105.0780	0.013	2	105.0780	0.013	2	105.0780	0.013	2	107.0909	2.047	34	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,6]	4:4:3:	4:3:1:1:	2:4:3:2:	C[5,6]-4:C[5]-4:C-3:	C[5,5,6]-4:C[5]-3:H-1:H-1:	O[5,6]-2:C[6]-4:C[5]-3:O-2:	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,5,6]HH)(CCC)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]C)(H)2	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,5,6]HH)(CCC){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]C)(OH){1|C<3>,2|C<4>,2|H<1>}	105.8935	0.108	2	105.8935	0.012	2	105.8935	0.012	2	105.8935	0.012	2	107.0909	2.047	34	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,6]	4:4:3:	4:3:1:1:	3:4:3:4:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-3:Si-4:	C[5](C[5,6]N[5,6]C[6]Si)(C[5]C[5,6]HH)(CHH)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C)(H)2	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]HH)(C[5]C[5]C)(SiC3)	C[5](C[5,6]N[5,6]C[6]Si)(C[5]C[5,6]HH)(CHH){1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C)(H)2{1|Si<4>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]HH)(C[5]C[5]C)(SiC3){1|C<4>,5|H<1>}	104.9420	0.285	6	104.9420	0.081	6	104.9420	0.081	6	104.9420	0.081	6	107.0909	2.047	34	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,6]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,6,6]CC)(C[5]C[5]C)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH){1|C<3>,1|O<1>,4|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6,6]CC)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	107.8140	0.000	1	107.8140	0.000	1	107.6675	0.033	6	107.6675	0.033	6	107.0909	2.047	34	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,6]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	107.7050	0.110	2	107.6382	0.035	5	107.6675	0.033	6	107.6675	0.033	6	107.0909	2.047	34	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,6]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){2|C<4>,4|H<1>}	107.5937	0.239	3	107.6382	0.035	5	107.6675	0.033	6	107.6675	0.033	6	107.0909	2.047	34	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,6]	4:4:3:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH){3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	107.6030	0.000	1	107.6030	0.000	1	107.6030	0.000	1	107.8985	0.175	2	107.0909	2.047	34	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,6]	4:4:3:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,6]CO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]CO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,5|H<1>}	108.1940	0.000	1	108.1940	0.000	1	108.1940	0.000	1	107.8985	0.175	2	107.0909	2.047	34	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,6]	4:4:3:	4:3:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C-3:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CHH)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CHH){3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2{1|O<2>,1|S<4>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC){2|C<4>,4|H<1>}	107.1940	0.000	1	107.1940	0.000	1	107.6170	0.204	3	107.4802	0.137	5	107.0909	2.047	34	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,6]	4:4:3:	4:3:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C-3:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CHH)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CHH){3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH){2|C<4>,4|H<1>}	107.8285	0.374	2	107.8285	0.140	2	107.6170	0.204	3	107.4802	0.137	5	107.0909	2.047	34	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,6]	4:4:3:	4:3:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C-3:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CHH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CHH){3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH){2|C<4>,4|H<1>}	107.2750	0.017	2	107.2750	0.000	2	107.2750	0.000	2	107.4802	0.137	5	107.0909	2.047	34	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,6]	4:4:3:	4:3:2:1:	4:3:3:2:	C[5,6]-4:C[5]-4:C-3:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-3:C[6]-3:O-2:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HO)(CHH)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(OH)(H)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(OSi)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HO)(CHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(OSi){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	108.2970	0.000	1	108.2970	0.000	1	108.2970	0.000	1	108.2970	0.000	1	107.0909	2.047	34	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,6]	4:4:3:	4:3:2:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C-3:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]HO)(CHH)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H)	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]HO)(CHH){3|C<4>,4|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>,2|O<2>}	106.7400	0.000	1	106.7400	0.000	1	106.7400	0.000	1	106.7400	0.000	1	107.0909	2.047	34	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,6]	4:4:3:	4:3:3:1:	2:4:3:4:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	O[5,6]-2:C[6]-4:C[5]-3:C-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(CHH)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C)(C[6a]C[6a]2)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(CHH){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3){3|C<3>,3|H<1>}	107.6590	0.194	2	107.6590	0.038	2	107.6590	0.038	2	107.6590	0.038	2	107.0909	2.047	34	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5,6]	4:4:3:	4:3:3:1:	4:3:3:3:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(CHH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(COO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(CHH){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(COO){2|C<3>,3|H<1>}	108.0680	0.000	1	108.0680	0.000	1	108.0680	0.000	1	108.0680	0.000	1	107.0909	2.047	34	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	3:4:4:	3:3:1:1:	3:3:1:1:	C[5]-3:C[5]-4:C[5]-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{1|C<4>,3|C<3>,3|H<1>}	108.6300	0.000	1	108.6300	0.000	1	108.6300	0.000	1	108.6300	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	3:4:4:	3:3:3:2:	3:3:3:2:	C[5]-3:C[5]-4:C[5]-4:	C[5]-3:C[6a]-3:C[5]-3:O-2:	C[5]-3:C[6a]-3:C[5]-3:O-2:	C[5](C[5]C[5,6a]O[5])(C[5]C[6a]C[5]O)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[5](C[5]C[5,6a]O[5])(C[5]C[6a]C[5]O)2{9|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)(OH){2|H<1>,2|O<2>,7|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)(OH){2|H<1>,2|O<2>,7|C<3>}	110.6950	0.000	1	110.6950	0.000	1	110.6950	0.000	1	110.6950	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[5]-4:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)2	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)2{1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,4|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,4|H<1>}	109.5080	0.000	1	109.5080	0.000	1	109.9800	0.446	2	107.7220	15.518	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[5]-4:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5a]S[5a]2)(C[5]C[5]HH)2	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5a]S[5a]2)(C[5]C[5]HH)2{2|C<3>,4|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{2|S<2>,4|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{2|S<2>,4|H<1>}	110.4520	0.000	1	110.4520	0.000	1	109.9800	0.446	2	107.7220	15.518	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	103.2060	0.000	1	103.2060	0.000	1	103.2060	0.000	1	107.7220	15.518	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:2:1:1:	3:3:1:1:	C[5]-4:C[5]-4:H-1:	C[5]-3:N[5]-2:H-1:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5]C[5]H)(N[5]C[5])(H)2	C[5](C[5]C[5]H)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5])(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H)2{2|H<1>}	107.8500	0.000	1	107.8500	0.000	1	107.8500	0.000	1	107.8500	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:2:4:1:	3:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]O)(C[5]O[5]O)(CH3)(COO)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(O){1|O<1>}	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]O)(C[5]O[5]O)(CH3)(COO){1|C<4>,1|H<1>}	107.8130	0.000	1	107.8130	0.000	1	107.8130	0.000	1	107.8130	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:2:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-1:	C[5]-3:C[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(C)	C[5](C[5]C[5]C)(C[5]C[5])(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(C){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5])(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>}	107.5140	0.000	1	107.5140	0.000	1	107.5140	0.000	1	107.5283	0.375	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:2:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CC)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(O){2|C<4>}	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	C[5](C[5]O[5]CC)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	107.5355	0.866	2	107.5355	0.750	2	107.5355	0.750	2	107.5283	0.375	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:2:4:1:	4:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CC[6]HO)(H)	C[5](C[5]O[5]CO)(C[5]C[5]O)(CH3)2	C[5](C[5]C[5]CC)(C[5]O[5]CH)(O){1|C<4>,1|O<2>}	C[5](C[5]C[5]O)(O[5]C[5])(CC[6]HO)(H){1|O<2>,3|C<4>}	C[5](C[5]O[5]CO)(C[5]C[5]O)(CH3)2{1|C<4>,1|H<1>}	108.0190	0.000	1	108.0190	0.000	1	108.0190	0.000	1	108.0190	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:2:4:3:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CCCH)(COO)	C[5](C[5]O[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(O){1|C<4>,1|H<1>}	C[5](C[5]C[5]O)(O[5]C[5])(CCCH)(COO){1|C<4>,3|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>}	106.6390	0.000	1	106.6390	0.000	1	106.6390	0.000	1	106.6390	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:2:4:4:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3)	C[5](C[5]O[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(O){1|C<4>,1|H<1>}	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]O)(H)2{2|C<4>}	108.4190	0.000	1	108.4190	0.000	1	108.4190	0.000	1	108.4190	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:2:4:4:	4:3:2:1:	C[5]-4:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:S-2:Cl-1:	C[5](C[5]C[5]ClS)(C[5]O[5]CC)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a])(Cl)	C[5](C[5]C[5]ClS)(C[5]O[5]CC)(O){1|C<3>,1|H<1>}	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|Cl<1>,1|C<3>,1|H<1>,1|S<2>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a])(Cl){2|C<3>,2|C<4>}	106.7750	0.000	1	106.7750	0.000	1	106.7750	0.000	1	106.7750	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:2:4:4:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3)	C[5](C[5]O[5]CO)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(O){1|C<4>,1|O<2>}	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]O[5]CO)(C[5]C[5]O)(CCHH)(H){2|C<4>}	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	108.0075	0.266	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:2:4:4:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:S-4:H-1:	C[5](C[5]C[5]HS)(C[5]O[5]CC)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CH)(C[5]C[5]O)(SC[6a]OO)(H)	C[5](C[5]C[5]HS)(C[5]O[5]CC)(O){1|C<4>,1|H<1>}	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<4>,1|S<4>,2|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]O)(SC[6a]OO)(H){2|C<4>}	107.6430	0.000	1	107.6430	0.000	1	107.6430	0.000	1	108.0075	0.266	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:1:1:	3:2:1:1:	C[5]-4:C[5]-4:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5]C[5]H)(C[5]O[5]H)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H){1|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]H)(H)2{2|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(H)2{3|H<1>}	111.1310	0.000	1	111.1310	0.000	1	111.1310	0.000	1	111.1310	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:1:1:	3:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5,5a]-3:C[5]-3:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]HH)(O)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]HH)(O){1|C<3>,1|N<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2{2|C<3>,3|H<1>}	111.8897	0.173	4	111.8897	0.030	4	111.8897	0.030	4	110.7873	1.926	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:1:1:	3:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(O)	C[5](C[5]C[5]O)(N[5]C[5]H)(H)2	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]H)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{3|H<1>}	109.3173	0.246	3	109.3173	0.061	3	109.3173	0.061	3	110.7873	1.926	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:2:1:	4:3:2:1:	C[5]-4:C[5]-4:O-1:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(H)	C[5](C[5]O[5]CC)(C[5]C[5]O)(OH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(O){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]O[5]CC)(C[5]C[5]O)(OH)(H){1|C<3>,1|H<1>}	107.8540	0.000	1	107.8540	0.000	1	107.8540	0.000	1	107.8540	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:3:1:	3:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5]-3:C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:Si-4:C-3:	C[5](C[5]C[5]SiC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(CCH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(SiC3)(CCH)	C[5](C[5]C[5]SiC)(C[5]C[5]CH)(O){2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CCH)(H){1|Si<4>,1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(SiC3)(CCH){1|C<3>,2|H<1>}	107.6260	0.000	1	107.6260	0.000	1	107.6260	0.000	1	107.6260	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(O){1|C<4>,1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)2(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,1|O<1>}	110.0550	0.000	1	110.0550	0.000	1	110.0550	0.000	1	110.0407	0.089	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)(H)	C[5](C[5]N[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(O){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]O)(H)2{1|H<1>,2|C<3>}	110.0335	0.422	2	110.0335	0.178	2	110.0335	0.178	2	110.0407	0.089	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:3:2:	3:3:4:1:	C[5]-4:C[5]-4:O-1:	C[6a]-3:C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-4:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)(O)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]C)(C[5]C[5]O)(CN)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[5a]CC)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)(O){1|H<1>,3|C<3>}	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]C)(C[5]C[5]O)(CN){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[5a]CC)(H){1|C<2>,2|C<3>}	107.0230	0.115	2	107.0230	0.013	2	107.0230	0.013	2	107.0230	0.013	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:3:2:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	N[5]-3:C[5]-3:C-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CO)(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(COO)(OSi)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CO)(O){1|H<1>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(COO)(OSi){3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(H)2{1|O<2>,4|C<3>}	109.5820	0.000	1	109.5820	0.000	1	109.5820	0.000	1	109.5820	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:3:3:	3:3:3:2:	C[5]-4:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a]O)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(OH)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a]O)(O){8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]O){1|O<2>,5|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(OH){3|H<1>,6|C<3>}	111.2330	0.000	1	111.2330	0.000	1	111.2330	0.000	1	111.2330	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:3:3:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-3:C[5]-3:C-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(COO)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(COO){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{5|C<3>}	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:3:4:	3:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5]-3:C[5]-3:C-3:C-4:	C[5]-3:C[5]-3:C-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH){1|H<1>,2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(H){1|C<3>,2|C<4>}	109.4910	0.000	1	109.4910	0.000	1	109.4910	0.000	1	109.5985	0.023	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:3:4:	3:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)(O){1|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H){1|C<4>,2|C<3>}	109.7060	0.000	1	109.7060	0.000	1	109.7060	0.000	1	109.5985	0.023	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:H-1:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	106.9090	0.000	1	106.9090	0.000	1	106.9090	0.000	1	107.9550	2.188	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCCH)(H)	C[5](C[5]C[5]O)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]H)(CCCH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	109.0010	0.000	1	109.0010	0.000	1	109.0010	0.000	1	107.9550	2.188	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:4:1:	3:3:3:1:	C[5]-4:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-3:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHO)(H)	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6]O)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(O){1|C<4>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6]O)(H){1|H<1>,2|C<4>}	107.3820	0.000	1	107.3820	0.000	1	107.3820	0.000	1	107.3820	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:4:1:	3:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O){1|C<4>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|H<1>,2|C<4>}	110.2870	0.000	1	110.2870	0.000	1	109.4772	0.215	5	109.5133	0.180	6	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:4:1:	3:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(H)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<4>,2|H<1>}	109.3630	0.000	1	109.3630	0.000	1	109.4772	0.215	5	109.5133	0.180	6	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:4:1:	3:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(N[5]C[5]H)(CHHO)(H)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]H)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<4>,2|H<1>}	109.2453	0.121	3	109.2453	0.015	3	109.4772	0.215	5	109.5133	0.180	6	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:4:1:	3:3:4:3:	C[5]-4:C[5]-4:O-1:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CHHO)(H)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CHHO)(H){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<3>,1|C<4>,1|H<1>}	109.6940	0.000	1	109.6940	0.000	1	109.6940	0.000	1	109.5133	0.180	6	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:4:3:	3:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:N-3:	C[5]-3:N[5]-3:C-4:H-1:	C[5](C[5]C[5]CN)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)(NCH)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]CN)(C[5]N[5]CH)(O){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]O)(N[5]C[5]C)(CCCH)(H){1|C<4>,1|N<3>,1|O<1>}	108.6350	0.000	1	108.6350	0.000	1	108.6350	0.000	1	108.6350	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:4:3:	3:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:C-3:	C[5]-3:C[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(O)	C[5](C[5]C[5]O)(N[5]C[5]C)(CHHO)(COO)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(O){1|C<4>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]C)(CHHO)(COO){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<3>,2|C<4>}	109.5990	0.208	3	109.5990	0.043	3	109.5990	0.043	3	109.5362	0.045	4	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:4:3:	3:3:4:3:	C[5]-4:C[5]-4:O-1:	N[5]-3:C[5]-3:C-4:C-3:	C[5]-3:C[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(CCH)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(O){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(CCH){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<4>,2|C<3>}	109.3480	0.000	1	109.3480	0.000	1	109.3480	0.000	1	109.5362	0.045	4	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:4:3:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	N[5a]-3:N[5a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]N[5a]2C[5])(C[5]C[5]HH)(O)	C[5](N[5a]C[5a]N[5a])2(C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]N[5a]2C[5])(C[5]C[5]HH)(O){1|O<2>,2|C<3>,2|N<2>,3|H<1>}	C[5](N[5a]C[5a]N[5a])2(C[5]C[5]HO)(C[5]C[5]O){4|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>,2|N<3>}	108.0560	0.000	1	108.0560	0.000	1	108.0560	0.000	1	108.0560	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:4:4:	3:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3){3|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H)2{3|C<4>}	109.6890	0.000	1	109.6890	0.000	1	109.6890	0.000	1	109.6890	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:4:4:	3:3:3:4:	C[5]-4:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C-3:C-4:	C[5](C[5]C[5]CC)2(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH)	C[5](C[5]C[5]CC)2(O){2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH){3|C<4>}	109.3920	0.000	1	109.3920	0.000	1	109.3920	0.000	1	109.3920	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:4:4:	3:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)2	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(H){2|C<4>,3|C<3>}	110.6630	0.000	1	110.6630	0.000	1	110.6630	0.000	1	110.7840	0.029	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:4:4:	3:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:N[5]-3:C-4:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	C[5](C[5]C[5]O)(N[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O){1|O<1>,1|O<2>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]O)(N[5]C[5]O)(CCHH)(H){1|O<1>,2|C<4>}	110.9050	0.000	1	110.9050	0.000	1	110.9050	0.000	1	110.7840	0.029	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:4:4:	3:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:N[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHO)(COO)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHO)(COO){1|O<1>,2|C<4>}	109.6070	0.288	2	109.6070	0.083	2	109.6070	0.083	2	109.6070	0.083	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:4:4:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H){2|C<4>,3|C<3>}	109.3290	0.000	1	109.3290	0.000	1	108.8810	0.167	3	108.8810	0.167	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:4:4:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)(H){2|C<4>,3|C<3>}	108.5270	0.000	1	108.5270	0.000	1	108.8810	0.167	3	108.8810	0.167	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:3:4:4:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H){2|C<4>,3|C<3>}	108.7870	0.000	1	108.7870	0.000	1	108.8810	0.167	3	108.8810	0.167	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:4:2:3:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-3:C-4:O[5]-2:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(O)	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(COO)	C[5](C[5]O[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(O){1|C<4>,1|H<1>}	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(COO){1|C<4>,3|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>}	107.0040	0.186	3	107.0040	0.034	3	107.0040	0.034	3	107.0040	0.034	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(O){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(H){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<3>,2|H<1>}	108.8380	0.000	1	108.8380	0.000	1	108.8560	0.001	2	108.8560	0.001	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(O){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(H){2|C<3>,2|O<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,3|H<1>}	108.8740	0.000	1	108.8740	0.000	1	108.8560	0.001	2	108.8560	0.001	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:4:3:3:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]C[5]O)(CCH){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>,2|C<3>}	109.6100	0.000	1	109.6100	0.000	1	109.5313	0.035	3	109.5313	0.035	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:4:3:3:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CNO)	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CNO){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2{2|C<3>,2|H<1>}	109.3170	0.000	1	109.3170	0.000	1	109.5313	0.035	3	109.5313	0.035	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:4:3:3:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]O)(CCH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O){1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]O)(CCH){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|H<1>,1|N<3>,4|C<3>}	109.6670	0.000	1	109.6670	0.000	1	109.5313	0.035	3	109.5313	0.035	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:4:3:4:	3:4:3:1:	C[5]-4:C[5]-4:O-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(O){4|C<3>,4|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(H){1|C<4>,3|C<3>,4|H<1>}	110.3060	0.000	1	110.3060	0.000	1	110.3060	0.000	1	110.3060	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:4:3:4:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(O)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.7705	0.504	2	109.7853	0.128	3	109.7853	0.128	3	109.3919	0.200	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:4:3:4:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(O)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.8150	0.000	1	109.7853	0.128	3	109.7853	0.128	3	109.3919	0.200	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:4:3:4:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CBrCH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CBrCH){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.3700	0.000	1	109.3700	0.000	1	109.0968	0.045	4	109.3919	0.200	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:4:3:4:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CCHH){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	108.9880	0.000	1	108.9880	0.000	1	109.0968	0.045	4	109.3919	0.200	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:4:3:4:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	108.8850	0.000	1	108.8850	0.000	1	109.0968	0.045	4	109.3919	0.200	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:4:3:4:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CHHS)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CHHS){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.1440	0.000	1	109.1440	0.000	1	109.0968	0.045	4	109.3919	0.200	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:4:3:4:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CH)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CH)(O){2|H<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	110.5530	0.000	1	110.5530	0.000	1	110.5500	0.097	3	110.5500	0.097	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:4:3:4:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CH)(O)	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CH)(O){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	110.5485	0.441	2	110.5485	0.194	2	110.5500	0.097	3	110.5500	0.097	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	3:4:4:3:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[6a]-3:C[5]-4:C-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[3x6]HH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[3x6]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	2:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	O[5]-2:C[5]-3:C-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(H)2	C[5](O[5]C[5,5])(C[5]C[5]O)(CCHS)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(O){2|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(H)2{4|C<4>,4|H<1>}	C[5](O[5]C[5,5])(C[5]C[5]O)(CCHS)(H){2|C<4>,2|H<1>}	106.9020	0.000	1	106.9020	0.000	1	106.9020	0.000	1	106.9020	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	2:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	O[5]-2:C[5]-3:C-4:C-3:	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(H)2	C[5](O[5]C[5,5])(C[5]C[5]O)(CC[6a]HO)(COO)	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(O){2|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](O[5]C[5,5])(C[5]C[5]O)(CC[6a]HO)(COO){2|C<4>,2|H<1>}	105.6990	0.000	1	105.6990	0.000	1	105.6990	0.000	1	105.6990	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	2:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	O[5]-2:C[5]-3:C-4:C-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(O)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(H)2	C[5](O[5]C[5,5])(C[5]C[5]O)(CH3)2	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(O){1|C<4>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(H)2{1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[5](O[5]C[5,5])(C[5]C[5]O)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	108.0950	1.017	2	108.0950	1.034	2	108.0950	1.034	2	108.0950	1.034	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	3:2:1:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H){2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{2|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(H)2{4|H<1>}	104.9152	3.210	5	104.9152	10.304	5	104.9152	10.304	5	104.9152	10.304	5	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(H)2	C[5](N[5,5]C[5,5]2)(C[5]C[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	105.9730	0.000	1	105.9730	0.000	1	105.9730	0.000	1	105.5159	4.685	13	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]HH)(H)	C[5](C[5,6,6]N[5,6]O[6,6]C[6])(C[5]C[5]H)(H)2	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]H)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]HH)(H){1|O<2>,2|C<3>}	C[5](C[5,6,6]N[5,6]O[6,6]C[6])(C[5]C[5]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]H)(H)2{1|O<2>,2|H<1>,3|C<3>}	105.3100	0.000	1	105.3100	0.000	1	105.3100	0.000	1	105.5159	4.685	13	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{4|H<1>}	105.5723	2.509	3	105.5723	6.295	3	105.5723	6.295	3	105.5159	4.685	13	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	O[5]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	C[5](O[5]C[5]Ca)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H){1|Ca<8>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|Ca<8>,2|H<1>}	C[5](O[5]C[5]Ca)(C[5]C[5]H)(H)2{4|H<1>}	106.8180	0.000	1	106.8180	0.000	1	105.4634	6.192	8	105.5159	4.685	13	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	O[5]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	C[5](O[5]C[5]Li)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H){1|Li<4>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|Li<4>,2|H<1>}	C[5](O[5]C[5]Li)(C[5]C[5]H)(H)2{4|H<1>}	106.7308	2.448	4	106.7308	5.994	4	105.4634	6.192	8	105.5159	4.685	13	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	O[5]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	C[5](O[5]C[5]Mg)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H){1|Mg<5>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|Mg<5>,2|H<1>}	C[5](O[5]C[5]Mg)(C[5]C[5]H)(H)2{4|H<1>}	101.8280	0.000	1	103.3220	1.674	3	105.4634	6.192	8	105.5159	4.685	13	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	O[5]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	C[5](O[5]C[5]Mg)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H){1|Mg<6>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|Mg<6>,2|H<1>}	C[5](O[5]C[5]Mg)(C[5]C[5]H)(H)2{4|H<1>}	104.0690	0.000	2	103.3220	1.674	3	105.4634	6.192	8	105.5159	4.685	13	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	3:3:3:2:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:O-2:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|O<2>,2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(OC){4|H<1>}	110.1830	0.000	1	110.1830	0.000	1	110.1830	0.000	1	110.1830	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	3:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,3|H<1>}	109.4870	0.000	1	109.4870	0.000	1	110.0338	0.400	5	110.0338	0.400	5	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	3:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]O)2(CC[6a]HH)(CHHN)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5]O)2(CC[6a]HH)(CHHN){4|H<1>}	110.1705	0.640	4	110.1705	0.409	4	110.0338	0.400	5	110.0338	0.400	5	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[4,5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[4,5]HH)2(H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H)(H)2	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]H)(H)2	C[5](C[5]C[4,5]HH)2(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]H)(H)2{2|C<4>,4|H<1>}	108.9610	0.000	1	108.9610	0.000	1	108.9610	0.000	1	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]H)(H)2	C[5](C[3x5]C[5,5]N[5,5]O[5])(C[5]C[5]H)(H)2	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[3x5]C[5,5]N[5,5]O[5])(C[5]C[5]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	114.5680	0.000	1	114.5680	0.000	1	114.5680	0.000	1	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)2(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{4|H<1>}	114.4080	0.000	1	114.4080	0.000	1	114.4080	0.000	1	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)2	C[5](N[5]C[5]2H)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<4>,3|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)2{1|C<4>,3|H<1>}	C[5](N[5]C[5]2H)(C[5]C[5]H)(H)2{2|C<4>,5|H<1>}	107.0340	0.000	1	107.0340	0.000	1	107.0340	0.000	1	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(O){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(H)2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	109.4260	0.000	1	109.4260	0.000	1	109.4545	0.002	2	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(O)	C[5](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5]C[5]O)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	109.4830	0.000	1	109.4830	0.000	1	109.4545	0.002	2	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]HH)2(O)	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]2C)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]HH)2(O){1|H<1>,3|C<4>}	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]O)(H)2{2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]2C)(C[5]C[5]O)(H)2{2|C<4>,2|O<2>,3|H<1>}	109.1850	0.000	1	109.1850	0.000	1	109.0207	0.092	7	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]HH)2(O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]HH)2(O){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{2|C<4>,5|H<1>}	108.9330	0.000	1	108.9550	0.001	2	109.0207	0.092	7	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]HH)2(O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]HH)2(O){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{2|C<4>,5|H<1>}	108.9770	0.000	1	108.9550	0.001	2	109.0207	0.092	7	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]HH)2(O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]HH)2(O){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{2|C<4>,5|H<1>}	108.4610	0.000	1	108.4610	0.000	1	109.0207	0.092	7	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]HH)2(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]HH)2(O){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	109.4010	0.000	1	109.3260	0.011	2	109.0207	0.092	7	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]HH)2(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]HH)2(O){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{3|C<4>,4|H<1>}	109.2510	0.000	1	109.3260	0.011	2	109.0207	0.092	7	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]HH)2(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]HH)2(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	108.9370	0.000	1	108.9370	0.000	1	109.0207	0.092	7	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(O)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(O){1|C<3>,1|N<2>,2|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]O)(H)2{1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(H)2{1|C<3>,1|N<2>,2|H<1>}	109.1575	0.001	2	109.1575	0.000	2	109.1575	0.000	2	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:Br-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]2H)(C[5]C[5]O)(Br)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(O){2|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]O)(Br)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|Br<1>,1|C<4>,2|H<1>}	106.8210	0.000	1	106.8210	0.000	1	106.8210	0.000	1	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(H)2{2|C<3>,2|C<4>,5|H<1>}	108.3990	0.000	1	108.7275	0.216	2	108.7275	0.216	2	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2{1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	109.0560	0.000	1	108.7275	0.216	2	108.7275	0.216	2	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)2(O)	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	108.4960	0.000	1	108.4960	0.000	1	108.9135	0.832	22	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)2(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(O){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	107.0810	0.000	1	107.0810	0.000	1	108.9135	0.832	22	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)2(O)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	108.5880	0.544	2	108.6153	0.073	6	108.9135	0.832	22	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)2(O)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	108.6290	0.148	4	108.6153	0.073	6	108.9135	0.832	22	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)2(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{4|H<1>}	109.9520	0.000	1	109.8260	1.444	6	108.9135	0.832	22	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)2(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{4|H<1>}	109.8008	1.342	5	109.8260	1.444	6	108.9135	0.832	22	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)2(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{4|H<1>}	108.7520	0.302	7	108.7520	0.091	7	108.9135	0.832	22	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)2(O)	C[5](C[5]C[5]HO)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HS)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(O){1|O<2>,1|S<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]O)(H)2{1|S<2>,3|H<1>}	C[5](C[5]C[5]HS)(C[5]C[5]O)(H)2{1|O<2>,3|H<1>}	108.6090	0.000	1	108.6090	0.000	1	108.9135	0.832	22	109.1428	2.232	40	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:2:1:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(O){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>,3|O<2>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(OH)(H){2|C<4>,5|H<1>}	108.0065	0.339	2	108.0065	0.115	2	108.0065	0.115	2	108.0065	0.115	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:2:2:	C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-2:O-2:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC)(OH){2|C<4>,5|H<1>}	107.3345	1.132	2	107.3345	1.282	2	107.3345	1.282	2	107.3345	1.282	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HS)(C[5]C[5]H)(SCuC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H){1|S<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{2|H<1>,2|S<3>}	C[5](C[5]C[5]HS)(C[5]C[5]H)(SCuC)(H){4|H<1>}	104.1680	0.000	1	104.1680	0.000	1	104.1680	0.000	1	106.3615	9.623	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(COO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(COO)(H){2|C<4>,5|H<1>}	108.5550	0.000	1	108.5550	0.000	1	108.5550	0.000	1	106.3615	9.623	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:3:2:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(COO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(COO)(OH){4|H<1>}	109.5970	0.000	1	109.5970	0.000	1	109.2540	0.235	2	109.2540	0.235	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:3:2:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(COO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(COO)(OH){1|C<3>,3|H<1>}	108.9110	0.000	1	108.9110	0.000	1	109.2540	0.235	2	109.2540	0.235	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:3:3:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCO)(COO)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCO)(COO){4|H<1>}	108.8930	0.000	1	108.8930	0.000	1	108.8930	0.000	1	108.6895	0.083	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:3:3:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:N-3:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)(NCN)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)(NCN){4|H<1>}	108.4860	0.000	1	108.4860	0.000	1	108.4860	0.000	1	108.6895	0.083	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	108.7576	0.628	5	108.7576	0.395	5	108.9445	0.297	13	108.7867	0.454	15	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHO)(H){4|H<1>}	108.8800	0.000	1	108.8800	0.000	1	108.9445	0.297	13	108.7867	0.454	15	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(H){4|H<1>}	108.8843	0.460	4	108.8843	0.212	4	108.9445	0.297	13	108.7867	0.454	15	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	109.3580	0.567	3	109.3580	0.322	3	108.9445	0.297	13	108.7867	0.454	15	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(SC[6]OO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(O){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(SC[6]OO)(H){4|H<1>}	107.3330	0.000	1	107.3330	0.000	1	107.7610	0.366	2	108.7867	0.454	15	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(SC[6a]OO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(SC[6a]OO)(H){4|H<1>}	108.1890	0.000	1	108.1890	0.000	1	107.7610	0.366	2	108.7867	0.454	15	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:2:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(O){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(OH){1|O<1>,2|C<4>,3|H<1>}	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	108.7089	0.610	23	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:2:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CN)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<2>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CN){4|H<1>}	108.5215	0.599	4	108.5215	0.359	4	108.4083	0.313	18	108.7089	0.610	23	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:2:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)(CN)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<2>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)(CN){4|H<1>}	108.4650	0.000	1	108.4650	0.000	1	108.4083	0.313	18	108.7089	0.610	23	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:2:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(CN)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<2>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(CN){4|H<1>}	108.3691	0.590	13	108.3691	0.348	13	108.4083	0.313	18	108.7089	0.610	23	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:2:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|C<4>,3|H<1>}	109.9087	0.469	3	109.9087	0.220	3	109.8805	0.150	4	108.7089	0.610	23	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:2:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(CH3)(OH){4|H<1>}	109.7960	0.000	1	109.7960	0.000	1	109.8805	0.150	4	108.7089	0.610	23	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(CCHH)(CCC)	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(O){2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(CCHH)(CCC){2|C<4>,2|H<1>}	109.2330	0.604	2	109.2330	0.365	2	109.2330	0.365	2	109.4011	0.730	38	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC){2|C<4>,2|H<1>}	109.8865	0.059	2	109.8865	0.003	2	109.4104	0.759	36	109.4011	0.730	38	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CCO)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CCO){2|C<4>,2|H<1>}	107.5550	0.000	1	107.5550	0.000	1	109.4104	0.759	36	109.4011	0.730	38	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC){1|C<4>,3|H<1>}	109.4975	0.296	2	109.4975	0.088	2	109.4104	0.759	36	109.4011	0.730	38	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(COO)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(COO){4|H<1>}	109.6777	0.360	3	109.7442	0.104	4	109.4104	0.759	36	109.4011	0.730	38	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(COO)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(COO){4|H<1>}	109.9440	0.000	1	109.7442	0.104	4	109.4104	0.759	36	109.4011	0.730	38	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CN)(C[5]C[5]O)(CCHH)(CCH)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[5](C[5]C[5]CN)(C[5]C[5]O)(CCHH)(CCH){4|H<1>}	108.9020	0.000	1	108.9020	0.000	1	109.4104	0.759	36	109.4011	0.730	38	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CNO)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CNO){4|H<1>}	109.2400	0.434	6	109.2400	0.188	6	109.4104	0.759	36	109.4011	0.730	38	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(COO)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(COO){4|H<1>}	108.7300	0.000	1	108.7300	0.000	1	109.4104	0.759	36	109.4011	0.730	38	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)(CCO)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)(CCO){4|H<1>}	109.4900	0.000	2	109.4900	0.000	2	109.4104	0.759	36	109.4011	0.730	38	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]2H)(COO)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]2H)(COO){4|H<1>}	109.4460	0.000	1	109.4460	0.000	1	109.4104	0.759	36	109.4011	0.730	38	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(COO)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(COO){4|H<1>}	109.3095	0.907	13	109.3095	0.823	13	109.4104	0.759	36	109.4011	0.730	38	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(CCO)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(CCO){4|H<1>}	109.5410	0.000	1	109.5410	0.000	1	109.4104	0.759	36	109.4011	0.730	38	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(COO)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(COO){4|H<1>}	110.7065	2.563	2	110.7065	6.570	2	109.4104	0.759	36	109.4011	0.730	38	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3)2	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(O){2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3)2{2|C<4>,2|H<1>}	110.8950	0.000	1	110.8950	0.000	1	110.8950	0.000	1	109.7523	0.581	6	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHH)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHH)(CH3){4|H<1>}	110.4080	0.000	1	110.4080	0.000	1	110.0710	0.227	2	109.7523	0.581	6	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)(CH3){4|H<1>}	109.7340	0.000	1	109.7340	0.000	1	110.0710	0.227	2	109.7523	0.581	6	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:P-4:	C[5](C[5]C[5]CP)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]2H)(PO3)	C[5](C[5]C[5]CP)(C[5]C[5]HH)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]2H)(PO3){4|H<1>}	109.4230	0.000	1	109.4230	0.000	1	109.1590	0.056	3	109.7523	0.581	6	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:P-4:	C[5](C[5]C[5]CP)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(PO3)	C[5](C[5]C[5]CP)(C[5]C[5]HH)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(PO3){4|H<1>}	108.9630	0.000	1	108.9630	0.000	1	109.1590	0.056	3	109.7523	0.581	6	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:P-4:	C[5](C[5]C[5]CP)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(PO3)	C[5](C[5]C[5]CP)(C[5]C[5]HH)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(PO3){4|H<1>}	109.0910	0.000	1	109.0910	0.000	1	109.1590	0.056	3	109.7523	0.581	6	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:2:2:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[3]-4:C[5]-3:O[5]-2:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[3]O[5]O)(C[5]C[5]CH)(O)	C[5](C[3]C[3]2H)(C[5]C[5]O)(O[5]C[5])(OH)	C[5](C[5]O[5]CC)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[3]O[5]O)(C[5]C[5]CH)(O){1|H<1>,4|C<4>}	C[5](C[3]C[3]2H)(C[5]C[5]O)(O[5]C[5])(OH){2|H<1>,6|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]O)(CCHH)(H){1|C<4>,1|O<2>}	108.2310	1.004	3	108.2310	1.009	3	108.2310	1.009	3	108.2310	1.009	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:2:3:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:N-2:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,5]CN)(C[5]C[5]HH)(O)	C[5](C[5,5]C[5]3)(C[5]C[5]O)(NC[6a])(COO)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5,5]CN)(C[5]C[5]HH)(O){1|H<1>,3|C<3>}	C[5](C[5,5]C[5]3)(C[5]C[5]O)(NC[6a])(COO){1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2{1|N<2>,5|C<3>}	111.0360	0.173	2	111.0360	0.030	2	111.0360	0.030	2	111.0360	0.030	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:2:4:	3:3:4:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:C-4:H-1:	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHO)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHO){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(H){2|C<4>}	105.6030	0.000	1	105.6030	0.000	1	105.6030	0.000	1	105.6030	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[3,5]-4:C[6a]-3:C[5]-3:H-1:	C[3,5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(O)	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5]C[5]O)(H)2	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(O){2|C<4>,3|C<3>}	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]C[5]O)(H){3|C<3>,6|H<1>}	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5]C[5]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	109.2800	0.000	1	109.2800	0.000	1	109.2800	0.000	1	109.0109	0.440	10	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CC[5]H)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(O){2|H<1>,2|N<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CC[5]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	109.7370	0.000	1	109.7370	0.000	1	109.7370	0.000	1	109.0109	0.440	10	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|O<2>,3|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O)(H)2{1|N<3>,2|C<3>,2|H<1>}	109.2740	0.000	1	109.2740	0.000	1	109.2740	0.000	1	109.0109	0.440	10	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.3260	0.000	1	109.3260	0.000	1	108.6788	0.418	6	109.0109	0.440	10	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,3|H<1>}	109.1240	0.144	2	109.1240	0.021	2	108.6788	0.418	6	109.0109	0.440	10	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CN[5a]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CN[5a]O)(H){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{3|C<3>,3|H<1>}	107.9540	0.000	1	107.9540	0.000	1	108.6788	0.418	6	109.0109	0.440	10	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(COO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(COO)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<3>,2|H<1>}	107.8270	0.000	1	107.8270	0.000	1	108.6788	0.418	6	109.0109	0.440	10	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(COO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(COO)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{2|H<1>,4|C<3>}	108.7180	0.000	1	108.7180	0.000	1	108.6788	0.418	6	109.0109	0.440	10	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(O)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(O){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	109.7450	0.000	1	109.7450	0.000	1	109.7450	0.000	1	109.0109	0.440	10	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:O-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]C[6a]H)2(O)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]C[6a]H)2(O){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]2)(C[6a]C[6a]2)(C[5]C[5]O)(H){2|C<4>,4|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|C<4>,3|H<1>,6|C<3>}	109.9230	0.775	2	109.9230	0.601	2	109.9230	0.601	2	108.7220	3.473	4	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5](C[5]C[5]CH)2(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CNO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CNO)(H)	C[5](C[5]C[5]CH)2(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CNO)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CNO)(H){1|C<3>,3|H<1>}	108.9440	0.000	1	108.9440	0.000	1	108.9440	0.000	1	108.7220	3.473	4	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:S-3:H-1:	C[5]-4:C[5]-3:S-3:H-1:	C[5](C[5]C[5]HS)2(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(SFe2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(SFe2)(H)	C[5](C[5]C[5]HS)2(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(SFe2)(H){1|S<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(SFe2)(H){1|S<3>,3|H<1>}	106.0980	0.000	1	106.0980	0.000	1	106.0980	0.000	1	108.7220	3.473	4	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(O)	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]O)(CH3)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H){2|H<1>,4|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]O)(CH3)2{1|N<3>,2|H<1>,3|C<3>}	109.4710	0.000	1	109.4710	0.000	1	109.4710	0.000	1	109.4710	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:3:2:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,5]-4:C[6a]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,5]C[6a]O)(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(OH)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5,5]C[6a]O)(C[5]C[5,5]HH)(O){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(OH){4|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H)2{1|H<1>,2|O<2>,3|C<3>}	107.7235	0.054	2	107.7235	0.003	2	107.7235	0.003	2	107.7235	0.003	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:3:3:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,5]C[6a]2)(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]O)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5,5]C[6a]2)(C[5]C[5,5]HH)(O){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]O){1|N<3>,6|C<3>,7|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(H)2{1|H<1>,5|C<3>}	109.1220	0.000	1	109.1220	0.000	1	109.1220	0.000	1	108.7210	0.160	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:3:3:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C)(COO)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C)(COO){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<3>,2|H<1>}	108.5205	0.281	2	108.5205	0.079	2	108.5205	0.079	2	108.7210	0.160	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:3:4:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]O)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]O)(CH3){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	109.4240	0.000	1	109.4240	0.000	1	109.4240	0.000	1	109.4240	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:3:4:	4:3:3:3:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:C-3:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CC)(O)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]O)(COO)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CC)(O){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(CH3){4|H<1>,6|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(COO)2{1|C<4>,1|H<1>,2|C<3>}	109.4360	0.013	2	109.4360	0.000	2	109.4360	0.000	2	109.4360	0.000	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	3:2:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C[5](C[5]C[5]HS)(C[5]O[5]CC)(O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a]OO)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C[5](C[5]C[5]HS)(C[5]O[5]CC)(O){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a]OO)(H){2|C<3>,2|C<4>}	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<3>,1|S<4>,2|H<1>}	107.3120	0.088	2	107.3120	0.008	2	107.3120	0.008	2	107.3120	0.008	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	3:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]O)2(CHHO)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]O)2(CHHO)(CH3){2|C<4>,2|H<1>}	110.5610	0.000	1	110.5610	0.000	1	111.1680	0.737	2	111.1680	0.737	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	3:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HO)(H)	C[5](C[5]C[5]O)2(CHHO)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HO)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]O)2(CHHO)(CH3){2|C<4>,2|H<1>}	111.7750	0.000	1	111.7750	0.000	1	111.1680	0.737	2	111.1680	0.737	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(CH3)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]H)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(CH3)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,4|C<4>}	104.0220	0.000	1	104.0220	0.000	1	104.0220	0.000	1	109.1830	1.321	41	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(O)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(O){1|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)(H){3|C<4>,7|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(H)2{1|H<1>,6|C<4>}	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	109.1830	1.321	41	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CH3)(H)	C[5](C[5,5]C[5,5]2C)(C[5]C[5]O)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(O){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CH3)(H){3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]2C)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	108.9940	0.757	2	108.9940	0.572	2	108.9940	0.572	2	109.1830	1.321	41	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(O){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	108.6870	0.000	1	108.3250	0.182	3	108.3250	0.182	3	109.1830	1.321	41	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(O){1|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H){1|N<4>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	108.1440	0.410	2	108.3250	0.182	3	108.3250	0.182	3	109.1830	1.321	41	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O){1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,4|C<4>}	110.4390	0.000	1	110.4390	0.000	1	109.6204	0.675	17	109.1830	1.321	41	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	109.8490	2.104	2	109.4510	1.468	5	109.6204	0.675	17	109.1830	1.321	41	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	109.1857	0.676	3	109.4510	1.468	5	109.6204	0.675	17	109.1830	1.321	41	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O){4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2{2|H<1>,5|C<4>}	110.2130	0.401	3	110.2130	0.161	3	109.6204	0.675	17	109.1830	1.321	41	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H){2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{2|H<1>,5|C<4>}	108.8430	0.522	2	108.8430	0.272	2	109.6204	0.675	17	109.1830	1.321	41	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CH3)(H){2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|H<1>,6|C<4>}	109.2220	0.642	2	109.2220	0.412	2	109.6204	0.675	17	109.1830	1.321	41	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCCH)(H){3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{3|C<4>,4|H<1>}	109.8993	0.341	3	109.8993	0.116	3	109.6204	0.675	17	109.1830	1.321	41	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHO)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHO)(H){3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	109.3850	0.000	1	109.3850	0.000	1	109.6204	0.675	17	109.1830	1.321	41	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{2|C<4>,2|H<1>}	109.6960	0.000	1	109.6960	0.000	1	109.5472	0.311	13	109.1830	1.321	41	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]2H)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]O)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{2|C<4>,2|H<1>}	109.9240	0.298	3	109.9240	0.089	3	109.5472	0.311	13	109.1830	1.321	41	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]HO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]HO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,3|C<4>}	109.7100	0.468	2	109.7100	0.219	2	109.5472	0.311	13	109.1830	1.321	41	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{2|C<4>,2|H<1>}	108.1820	0.000	1	108.1820	0.000	1	109.5472	0.311	13	109.1830	1.321	41	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HN)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<4>,2|H<1>}	110.1460	0.000	1	110.1460	0.000	1	109.5472	0.311	13	109.1830	1.321	41	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	109.4290	0.526	2	109.4290	0.277	2	109.5472	0.311	13	109.1830	1.321	41	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	109.0170	0.000	1	109.0170	0.000	1	109.5472	0.311	13	109.1830	1.321	41	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	109.5110	0.168	2	109.5110	0.028	2	109.5472	0.311	13	109.1830	1.321	41	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(SCOO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HS)(O){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(SCOO)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|S<4>,2|H<1>}	108.1625	0.035	2	108.1625	0.001	2	108.3678	0.058	4	109.1830	1.321	41	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(SC[6a]OO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HS)(O){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(SC[6a]OO)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|S<4>,2|H<1>}	108.5730	0.074	2	108.5730	0.005	2	108.3678	0.058	4	109.1830	1.321	41	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:2:1:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(OH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(O){4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	110.5430	0.000	1	110.5430	0.000	1	110.5430	0.000	1	110.5430	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5,5,6,6]-4:C[5]-3:C-4:H-1:	C[5,5,6,6]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5,5,6,6]CH)2(O)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]O)(CH3)(H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5,5,6,6]CH)2(O){4|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]O)(CH3)(H){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]O)(CH3)(H){1|H<1>,2|C<4>,5|C<3>}	108.0480	0.000	1	108.0480	0.000	1	108.0480	0.000	1	109.5153	0.525	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CHHO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(O){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	109.9090	0.000	1	109.6870	0.099	2	109.8593	0.138	3	109.5153	0.525	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CHHO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(O){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	109.4650	0.000	1	109.6870	0.099	2	109.8593	0.138	3	109.5153	0.525	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(O)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(O){1|C<2>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(CH3)(H){1|C<2>,4|C<4>,4|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CH3)(H){1|H<1>,1|N<3>,2|C<4>}	110.2040	0.000	1	110.2040	0.000	1	109.8593	0.138	3	109.5153	0.525	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:Br-1:	C[5]-4:C[5]-3:C-4:Br-1:	C[5](C[5]C[5]BrC)2(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(Br)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(Br)	C[5](C[5]C[5]BrC)2(O){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(Br){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(Br){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	109.4690	0.000	1	109.4690	0.000	1	109.4690	0.000	1	109.5153	0.525	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5]CH)2(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)2(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H){1|C<4>,3|H<1>}	109.7560	0.496	2	109.7560	0.246	2	109.7560	0.246	2	109.5153	0.525	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC){1|H<1>,3|C<4>}	110.2720	0.000	1	110.2720	0.000	1	110.3710	0.093	3	110.3710	0.093	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CHN)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CHN){1|C<4>,3|H<1>}	110.4205	0.414	2	110.4205	0.171	2	110.3710	0.093	3	110.3710	0.093	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:2:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,6,6]-4:C[5]-3:C-4:O-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6,6]CO)(C[5]C[5,6]HH)(O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(OH)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6,6]CO)(C[5]C[5,6]HH)(O){1|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(OH){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	110.9860	0.000	1	110.9860	0.000	1	110.9860	0.000	1	110.3185	0.891	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:2:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CC[6a]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(O){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CC[6a]HH)(OH){2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>,5|C<4>}	109.6510	0.000	1	109.6510	0.000	1	109.6510	0.000	1	110.3185	0.891	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:3:	3:3:3:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]O)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(COO){1|C<3>,1|H<1>,1|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)2(H){2|C<4>,3|C<3>,3|H<1>}	107.3330	0.000	1	107.3330	0.000	1	107.3330	0.000	1	107.3330	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:3:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C[5]-3:C-4:Cl-1:	C[5](C[5]C[5]ClC)(C[5]C[5]CC)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CNO)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(Cl)	C[5](C[5]C[5]ClC)(C[5]C[5]CC)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CNO){1|Cl<1>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(Cl){1|C<3>,1|C<4>,2|H<1>}	109.4280	0.000	1	109.4280	0.000	1	109.4280	0.000	1	109.4280	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:3:	4:3:4:2:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:N-3:	C[5]-4:C[5]-3:C-4:O-2:	C[5](C[5]C[5]CN)(C[5]C[5]CO)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(NCH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH)	C[5](C[5]C[5]CN)(C[5]C[5]CO)(O){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(NCH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	110.4870	0.000	1	110.4870	0.000	1	110.4870	0.000	1	110.4870	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:4:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,5]CC)(C[5]C[5]HH)(O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(CH3)2	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5,5]CC)(C[5]C[5]HH)(O){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(CH3)2{1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(H)2{1|O<2>,3|C<4>}	109.9880	0.283	3	109.9880	0.080	3	109.9880	0.080	3	110.0339	0.374	12	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:4:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|H<1>,3|C<4>}	110.2040	0.000	1	110.2040	0.000	1	110.0492	0.493	9	110.0339	0.374	12	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:4:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,3|C<4>}	110.7270	0.000	1	110.7270	0.000	1	110.0492	0.493	9	110.0339	0.374	12	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:4:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,3|C<4>}	110.3290	0.000	1	110.3290	0.000	1	110.0492	0.493	9	110.0339	0.374	12	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:4:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,3|C<4>}	109.2370	0.000	1	109.2370	0.000	1	110.0492	0.493	9	110.0339	0.374	12	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:4:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,3|C<4>}	109.9840	0.000	1	109.9840	0.000	1	110.0492	0.493	9	110.0339	0.374	12	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:4:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CC[5]HH)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(CC[5]HH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|O<2>,3|C<4>}	109.0260	0.000	1	109.0260	0.000	1	110.0492	0.493	9	110.0339	0.374	12	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:4:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|O<2>,3|C<4>}	109.3540	0.000	1	109.3540	0.000	1	110.0492	0.493	9	110.0339	0.374	12	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:4:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,2|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	110.9990	0.000	1	110.9990	0.000	1	110.0492	0.493	9	110.0339	0.374	12	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:4:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<4>,2|H<1>}	110.5830	0.000	1	110.5830	0.000	1	110.0492	0.493	9	110.0339	0.374	12	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:4:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(O)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(O){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CH3)(H){1|H<1>,2|O<2>,4|C<4>}	111.9140	0.000	1	111.0775	1.399	2	111.0775	1.399	2	110.7721	0.391	8	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:4:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(O)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(O){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3){2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CH3)(H){1|H<1>,2|O<2>,4|C<4>}	110.2410	0.000	1	111.0775	1.399	2	111.0775	1.399	2	110.7721	0.391	8	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:4:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]CH)(O)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CCHH)(CH3)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]CH)(O){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	110.7278	0.488	4	110.7278	0.238	4	110.7278	0.238	4	110.7721	0.391	8	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:4:	4:3:4:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	110.5555	0.576	2	110.5555	0.332	2	110.5555	0.332	2	110.7721	0.391	8	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:4:	4:3:4:2:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:O-2:	C[5](C[5]C[5]CC)(C[5]C[5]CO)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(O){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|H<1>,3|C<4>}	111.3630	0.000	1	111.3630	0.000	1	110.6745	0.303	4	110.6745	0.303	4	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:4:	4:3:4:2:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:O-2:	C[5](C[5]C[5]CC)(C[5]C[5]CO)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(OH)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(OH){2|C<4>,2|H<1>}	110.2555	0.250	2	110.2555	0.062	2	110.6745	0.303	4	110.6745	0.303	4	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:4:	4:3:4:2:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:O-2:	C[5](C[5]C[5]CC)(C[5]C[5]CO)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(O){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH){1|H<1>,2|C<4>,3|C<3>}	110.8240	0.000	1	110.8240	0.000	1	110.6745	0.303	4	110.6745	0.303	4	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:4:	4:3:4:4:	C[5]-4:C[5]-4:O-1:	C[4,5,5]-4:C[5]-3:C-4:C-4:	C[4,5,5]-4:C[5]-3:C-4:C-4:	C[5](C[5]C[4,5,5]CC)2(O)	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]O)(CH3)2	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]O)(CH3)2	C[5](C[5]C[4,5,5]CC)2(O){2|C<3>,2|C<4>}	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]O)(CH3)2{1|S<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]O)(CH3)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	112.8150	0.000	1	112.8150	0.000	1	112.8150	0.000	1	111.0260	6.401	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:3:4:4:	4:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5](C[5]C[5]CC)2(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3)	C[5](C[5]C[5]CC)2(O){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3){1|H<1>,2|C<4>,3|C<3>}	109.2370	0.000	1	109.2370	0.000	1	109.2370	0.000	1	111.0260	6.401	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:4:3:1:	3:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5](C[5]C[5]2H)(C[5]C[5]CC)(O)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C[5](C[5]C[5]2H)(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,3|H<1>}	111.2590	0.000	1	111.2590	0.000	1	111.2590	0.000	1	111.2590	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	108.2800	0.000	1	108.2800	0.000	1	108.2800	0.000	1	108.8159	0.358	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|H<1>,3|C<4>}	109.2560	0.000	1	109.2560	0.000	1	109.2338	0.162	4	108.8159	0.358	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(O)	C[5](C[5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(O){1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]O)(H){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	108.6780	0.000	1	108.6780	0.000	1	109.2338	0.162	4	108.8159	0.358	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(O)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(O){1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|H<1>,3|C<4>}	109.6320	0.000	1	109.6320	0.000	1	109.2338	0.162	4	108.8159	0.358	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(O)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,3|C<4>}	109.3690	0.000	1	109.3690	0.000	1	109.2338	0.162	4	108.8159	0.358	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	108.3730	0.000	1	108.3730	0.000	1	108.3730	0.000	1	108.8159	0.358	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(O)	C[5](C[6]C[6,6a]C[6]C)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,4|H<1>}	C[5](C[6]C[6,6a]C[6]C)(C[5]C[5]HH)(C[5]C[5]O)(H){1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	108.1230	0.000	1	108.1230	0.000	1	108.1230	0.000	1	108.8159	0.358	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:4:3:1:	4:3:2:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]HO)(O)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(OC)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(OC)(H){1|H<1>,3|C<4>}	108.6050	0.000	1	108.6050	0.000	1	108.6050	0.000	1	108.6050	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]2C)(C[5]C[5]HH)(O)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]2C)(C[5]C[5]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)(CH3){1|Br<1>,1|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:1:	4:4:3:4:	4:3:2:1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-2:H-1:	C[5](C[5]C[5]2C)(C[5]C[5]HO)(O)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]O)(OH)(H)	C[5](C[5]C[5]2C)(C[5]C[5]HO)(O){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(OH)(H){2|C<4>,2|H<1>}	109.6450	0.000	1	109.6450	0.000	1	109.6450	0.000	1	109.6450	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:2:	3:3:1:1:	3:3:4:1:	C[5]-4:C[5]-4:O-2:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HP)(ORu)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PRuCC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HP)(ORu){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2{1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PRuCC)(H){2|C<3>,3|H<1>}	110.3490	0.000	2	110.3490	0.000	2	110.3490	0.000	2	110.3490	0.000	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:2:	3:3:3:4:	4:3:1:1:	C[5]-4:C[5]-4:N-2:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(NS)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]C)(CC[6a]HH)	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(NS){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]C)(CC[6a]HH){2|C<3>,6|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)2{1|C<3>,2|C<4>}	109.2110	0.000	1	109.2110	0.000	1	109.2110	0.000	1	109.2110	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:2:	3:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:N-2:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(NN)	C[5](C[5]C[5]N)(N[5]C[5]H)(CCCH)(H)	C[5](C[5]C[5]N)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(NN){1|H<1>,1|O<1>}	C[5](C[5]C[5]N)(N[5]C[5]H)(CCCH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]N)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	109.7250	0.000	1	109.7250	0.000	1	109.7250	0.000	1	109.7250	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:2:	3:4:3:1:	4:3:4:1:	C[5]-4:C[5]-4:N-2:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N)(H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CHHO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NO){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(CHHO)(H){1|H<1>,3|C<3>}	111.9870	0.000	1	111.9870	0.000	1	111.9870	0.000	1	111.9870	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:2:	3:4:3:3:	4:3:1:1:	C[5]-4:C[5]-4:N-2:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(NN)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(NN){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(CCH){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{2|C<3>,2|H<1>}	110.6097	0.432	3	110.6097	0.186	3	110.6097	0.186	3	110.6097	0.186	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:2:	3:4:3:4:	4:3:1:1:	C[5]-4:C[5]-4:N-2:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(NN)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(CClHH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(NN){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(CClHH){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	110.9800	0.174	2	110.9800	0.030	2	110.9800	0.030	2	110.9800	0.030	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:2:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:N-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)2(NN)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)2(NN){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{4|H<1>}	109.8980	0.462	11	109.8980	0.214	11	109.8886	0.195	12	109.8886	0.195	12	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:2:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:N-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)2(NN[5a])	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)2(NN[5a]){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{4|H<1>}	109.7850	0.000	1	109.7850	0.000	1	109.8886	0.195	12	109.8886	0.195	12	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:2:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-2:	C[5,3x6]-4:C[5]-3:C-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(CRu)	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)(CCH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]C)(H)2	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(CRu){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)(CCH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	107.4480	0.000	1	107.4480	0.000	1	107.4480	0.000	1	108.2063	0.438	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:2:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:N-2:	C[5]-4:P-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(NC[6a])	C[5](C[5]C[5]HH)(PC[6a]C[5])(C[5]C[5]N)(H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HP)(NC[6a]){4|H<1>}	C[5](C[5]C[5]HH)(PC[6a]C[5])(C[5]C[5]N)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|P<3>,3|H<1>}	108.5855	0.114	2	108.5855	0.013	2	108.5855	0.013	2	108.2063	0.438	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:2:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HO)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HO)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	107.6750	0.000	1	107.6750	0.000	1	107.6750	0.000	1	107.6750	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:2:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-2:	C[5,3x6]-4:C[5]-3:C-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(CRu)	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)(CCHH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]C)(H)2	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(CRu){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	107.2580	0.000	1	107.2580	0.000	1	107.2580	0.000	1	108.0930	1.394	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:2:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:N-2:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(NN[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(CH3)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(NN[5]){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(CH3)(H){1|C<4>,1|N<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(H)2{1|N<3>,3|C<4>,3|H<1>}	108.9280	0.000	1	108.9280	0.000	1	108.9280	0.000	1	108.0930	1.394	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:2:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]H)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]H){1|H<1>,1|O<2>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|O<2>,3|H<1>}	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)2{2|H<1>}	106.0497	0.368	3	106.0497	0.135	3	106.0497	0.135	3	106.0497	0.135	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:2:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCH)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCH){2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCH)(H){2|H<1>}	106.2245	0.230	6	106.2245	0.053	6	106.2245	0.053	6	106.3257	0.116	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:2:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(C[5]C[5]2)	C[5](C[5]C[5]2)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(C[5]C[5]2){1|N<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]2)(CCC)(H){2|C<4>,2|H<1>}	106.9330	0.000	1	106.9330	0.000	1	106.9330	0.000	1	106.3257	0.116	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:2:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCH)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCH){2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC3)(H){2|H<1>}	103.5400	0.000	1	103.5400	0.000	1	105.5923	2.259	4	105.5923	2.259	4	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:2:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]B[5])	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]B[5]){2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)(H){2|H<1>}	105.9900	0.817	2	105.9900	0.668	2	105.5923	2.259	4	105.5923	2.259	4	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:2:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]C)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]C){2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H){2|H<1>}	106.8490	0.000	1	106.8490	0.000	1	105.5923	2.259	4	105.5923	2.259	4	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:2:1:1:	4:3:4:2:	C[5]-4:C[5]-4:C-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5](C[5]C[5]CO)(C[5]O[5]HH)(CC[6a]H)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC[6a]HH)(OH)	C[5](C[5]C[5]CO)(C[5]O[5]HH)(CC[6a]H){2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC[6a]HH)(OH){2|H<1>}	106.3490	0.000	1	106.3490	0.000	1	106.3490	0.000	1	106.3490	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:2:3:1:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-3:O[5]-2:C-3:H-1:	N[5]-3:C[5]-3:C-4:H-1:	C[5](C[5]N[5]CH)(C[5]O[5]CH)(CCH)	C[5](C[5]C[5]C)(O[5]N[5])(COO)(H)	C[5](N[5]C[6a]O[5])(C[5]C[5]C)(CF3)(H)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(CCH){1|C<3>}	C[5](C[5]C[5]C)(O[5]N[5])(COO)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[6a]O[5])(C[5]C[5]C)(CF3)(H){1|H<1>,3|C<3>}	106.4170	0.000	1	106.4170	0.000	1	106.4170	0.000	1	106.4170	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:2:4:4:	3:2:4:2:	C[5]-4:C[5]-4:C-3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:O[5]-2:C-4:O-2:	C[5](C[5]O[5]CC)(C[5]O[5]CO)(CC[5,6]H)	C[5](C[5]C[5]C)(O[5]O[5])(CH3)2	C[5](C[5]C[5]C)(O[5]O[5])(CCHH)(OH)	C[5](C[5]O[5]CC)(C[5]O[5]CO)(CC[5,6]H)	C[5](C[5]C[5]C)(O[5]O[5])(CH3)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]C)(O[5]O[5])(CCHH)(OH){2|C<4>}	107.1000	0.000	1	107.1000	0.000	1	107.1000	0.000	1	107.1000	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	S[5]-3:C[5]-3:H-1:H-1:	S[5]-3:C[5]-3:H-1:H-1:	C[5](C[5]S[5]HH)2(CHH)	C[5](S[5]S[5]Ru)(C[5]C[5]C)(H)2	C[5](S[5]S[5]Ru)(C[5]C[5]C)(H)2	C[5](C[5]S[5]HH)2(CHH){2|Ru<6>}	C[5](S[5]S[5]Ru)(C[5]C[5]C)(H)2{1|Ru<6>,2|H<1>}	C[5](S[5]S[5]Ru)(C[5]C[5]C)(H)2{1|Ru<6>,2|H<1>}	117.1980	0.000	1	117.1980	0.000	1	117.1980	0.000	1	113.3025	30.350	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6a]HH)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5](C[5]C[5,6a]HH)2(C[5]C[5]2){4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.4070	0.000	1	109.4070	0.000	1	109.4070	0.000	1	113.3025	30.350	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCH)(H){1|C<4>,2|H<1>}	109.1540	0.000	1	109.1540	0.000	1	109.1540	0.000	1	109.1540	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	4:3:2:1:	C[5]-4:C[5]-4:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCH)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCH){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC)(H){1|S<4>,2|H<1>}	108.5460	0.000	1	108.5460	0.000	1	108.5460	0.000	1	107.4745	2.296	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	4:3:2:1:	C[5]-4:C[5]-4:C-3:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-2:H-1:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(CHH)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]C)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]C)(CN)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(CHH){1|C<3>,1|C<4>,1|S<4>}	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]C)(H)2{1|C<2>,1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]C)(CN)(H){1|S<4>,2|C<3>,2|H<1>}	106.4030	0.000	1	106.4030	0.000	1	106.4030	0.000	1	107.4745	2.296	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCH)(H){1|S<4>,2|H<1>}	108.2200	0.000	1	108.2200	0.000	1	108.2200	0.000	1	108.2200	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	4:3:3:3:	C[5]-4:C[5]-4:C-3:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:C-3:	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HH)(CHH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)(H)2	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]C)(COO)2	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HH)(CHH){1|H<1>,2|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]C)(COO)2{2|H<1>,3|C<3>}	108.3830	0.000	1	108.3830	0.000	1	108.3830	0.000	1	108.3830	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3)(H){1|S<4>,2|H<1>}	107.3300	0.000	1	107.3300	0.000	1	107.3300	0.000	1	107.3300	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:2:1:	3:3:2:1:	C[5]-4:C[5]-4:C-3:	C[5,6a]-3:C[5]-3:S-2:H-1:	C[5,6a]-3:C[5]-3:S-2:H-1:	C[5](C[5]C[5,6a]HS)2(CC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC)(H)	C[5](C[5]C[5,6a]HS)2(CC[6a]C){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC)(H){1|S<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC)(H){1|S<2>,2|C<3>,2|H<1>}	106.5330	0.000	1	106.5330	0.000	1	106.5330	0.000	1	106.5330	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:2:1:	3:3:4:4:	C[5]-4:C[5]-4:N-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	N[5]-3:C[5]-3:C-4:C-4:	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CC)(NC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(O[5]N[5])(H)	C[5](N[5]C[6a]O[5])(C[5]C[5]N)(CH3)2	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CC)(NC[6a]O){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(O[5]N[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]O[5])(C[5]C[5]N)(CH3)2{1|H<1>,3|C<3>}	111.3400	0.000	1	111.3400	0.000	1	111.3400	0.000	1	111.3400	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:2:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCO){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	107.2720	0.000	1	107.2720	0.000	1	107.2720	0.000	1	107.2720	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:3:1:	3:2:1:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(CHN)	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]N[5])(H)2	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(CHN){3|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5](C[5]C[5]C)(O[5]N[5])(H)2{1|H<1>,2|C<3>}	105.4550	0.000	1	105.4550	0.000	1	105.4550	0.000	1	105.4550	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]HH)(CN[5]H)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(H)2	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]HH)(CN[5]H){1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,3|C<3>,6|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	108.3330	0.276	2	108.3330	0.076	2	108.3330	0.076	2	109.4289	0.946	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	N[5,5a]-3:C[6a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5]-3:H-1:H-1:	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(CHN)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(H)2	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(CHN){4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|H<1>,5|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(H)2{1|H<1>,4|C<3>}	109.8672	0.748	5	109.8672	0.559	5	109.8672	0.559	5	109.4289	0.946	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:3:1:	3:3:2:1:	C[5]-4:C[5]-4:C-3:	C[5,6a]-3:C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-2:H-1:	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]CH)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CN)(H)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]CH)(CCC){1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CN)(H){1|N<3>,2|C<3>,2|H<1>}	109.0170	0.000	1	109.0170	0.000	1	109.0170	0.000	1	109.0170	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]C[5]C)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]C[5]C)(H){1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2{1|H<1>,2|C<3>}	109.0730	0.000	1	109.0730	0.000	1	109.0730	0.000	1	109.0730	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:3:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CB[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CB[5]C){1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H){1|C<3>,1|H<1>,1|S<4>}	108.7600	0.000	1	108.7600	0.000	1	108.7600	0.000	1	108.7600	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:3:2:	3:3:2:1:	C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HO)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HO)(C[5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OO){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(OH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	109.7830	0.000	1	109.7830	0.000	1	109.7830	0.000	1	109.7830	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:3:3:	3:2:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-3:C[6a]-3:C[5]-3:C-3:	C[5]-3:N[5]-2:H-1:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CHH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]O)	C[5](C[5]C[5]C)(N[5]C[5])(H)2	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CHH){3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]O){4|C<3>,4|H<1>}	C[5](C[5]C[5]C)(N[5]C[5])(H)2{3|C<3>}	106.2970	0.000	1	106.2970	0.000	1	106.2970	0.000	1	106.2970	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:3:3:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(CCH)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CCH){1|O<1>,1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(CCH){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|O<1>,2|C<3>}	110.0590	0.000	1	110.0590	0.000	1	110.0590	0.000	1	110.0590	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(CHO)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H)	C[5](C[5,6]N[5,6]C[6]O)(C[5]C[5]C)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(CHO){1|O<2>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]O)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	107.6910	0.330	2	107.6910	0.109	2	108.4035	1.023	4	108.4035	1.023	4	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(CHO)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H)	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]C)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(CHO){1|S<2>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	109.1160	0.964	2	109.1160	0.930	2	108.4035	1.023	4	108.4035	1.023	4	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:2:3:	3:2:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-3:C-4:N[5]-2:C-3:	C[5]-3:N[5]-2:H-1:H-1:	C[5](C[5]N[5]CC)(C[5]N[5]HH)(CHH)	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]N[5])(COO)	C[5](C[5]C[5]C)(N[5]N[5])(H)2	C[5](C[5]N[5]CC)(C[5]N[5]HH)(CHH)	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]N[5])(COO){2|H<1>}	C[5](C[5]C[5]C)(N[5]N[5])(H)2{1|C<3>,1|C<4>}	105.0650	0.000	1	105.0650	0.000	1	105.0650	0.000	1	105.0650	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:2:3:	3:3:4:3:	C[5]-4:C[5]-4:C-3:	C[5]-3:C-4:N[5]-2:C-3:	C[5]-3:C[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(CHH)	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]C[5])(COO)	C[5](C[5]C[5]C)(C[5]N[5]H)(CC[6a]HH)(COO)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(CHH){1|H<1>}	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]C[5])(COO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]H)(CC[6a]HH)(COO){1|C<3>,1|C<4>}	107.3970	0.000	1	107.3970	0.000	1	107.3970	0.000	1	107.3970	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:2:4:1:	C[5]-4:C[5]-4:C-3:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5](C[5]N[5a]C[5]H)(C[5]O[5]CH)(CHH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H)	C[5](C[5]N[5a]C[5]H)(C[5]O[5]CH)(CHH){2|C<3>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	106.9910	0.000	1	106.9910	0.000	1	106.9910	0.000	1	107.4110	0.151	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:2:4:1:	C[5]-4:C[5]-4:C-3:	N[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5](C[5]N[6a]C[5]H)(C[5]O[5]CH)(CHH)	C[5](N[6a]C[5a,6a]C[6a])(C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H)	C[5](C[5]N[6a]C[5]H)(C[5]O[5]CH)(CHH){2|C<3>,2|H<1>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	107.6210	0.191	2	107.6210	0.036	2	107.6210	0.036	2	107.4110	0.151	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:3:3:3:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:C-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(COO)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CCH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(COO){1|C<3>,3|H<1>}	110.5660	0.000	1	110.5660	0.000	1	110.5660	0.000	1	110.5660	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:3:4:4:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CHH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CHH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)(CH3){1|C<3>,1|C<4>,2|H<1>}	110.5100	0.000	1	110.5100	0.000	1	110.3473	0.129	3	110.3473	0.129	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:3:4:4:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CHH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CHH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	110.2660	0.467	2	110.2660	0.218	2	110.3473	0.129	3	110.3473	0.129	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(CHH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(CHH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(H){1|N<3>,3|H<1>}	108.7000	0.485	2	108.7000	0.235	2	108.7000	0.235	2	108.7000	0.235	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:4:4:	C[5]-4:C[5]-4:C-3:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CC)(CHH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(CH3)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CC)(CHH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]C[5]C)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(CH3){1|N<3>,1|O<2>,2|H<1>}	108.6890	0.000	1	108.6890	0.000	1	108.6890	0.000	1	108.6890	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:3:2:	3:2:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(CC[6a]C)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(CC[6a]C){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH){2|C<3>,4|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	106.7830	0.000	1	106.7830	0.000	1	106.9420	0.051	2	106.9420	0.051	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:3:2:	3:2:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(CC[6a]H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(CC[6a]H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH){2|C<3>,4|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	107.1010	0.000	1	107.1010	0.000	1	106.9420	0.051	2	106.9420	0.051	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:3:4:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CC[6a]Cl)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CC[6a]Cl){1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(CH3){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.2510	0.000	1	109.2510	0.000	1	109.2510	0.000	1	109.2510	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:4:1:	3:4:1:1:	C[5]-4:C[5]-4:N[6]-3:	C[5]-3:C[5]-4:B-4:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)	C[5](C[5]C[5]N[6])(C[5]C[5]HH)(BC[6a]2H)(H)	C[5](C[5]C[5]N[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2){2|C<4>,8|H<1>}	C[5](C[5]C[5]N[6])(C[5]C[5]HH)(BC[6a]2H)(H){2|C<4>,4|H<1>}	C[5](C[5]C[5]N[6])(C[5]C[5]HH)(H)2{1|B<4>,2|C<4>,3|H<1>}	110.7440	0.000	1	110.7440	0.000	1	110.7440	0.000	1	110.7440	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:4:1:	3:4:4:1:	C[5]-4:C[5]-4:C[6]-3:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5](C[5]C[5]CH)2(C[6]C[6]2)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)2(C[6]C[6]2){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	108.1020	0.317	2	108.1020	0.100	2	108.1020	0.100	2	108.1020	0.100	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	3:2:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CCH)	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CCH){2|C<3>}	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(H)2{2|H<1>,4|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{2|C<3>,2|H<1>}	107.9110	0.000	1	107.9110	0.000	1	107.9110	0.000	1	107.9110	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH){1|H<1>,2|C<3>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	109.1170	0.000	1	109.1170	0.000	1	107.3703	2.288	3	107.3703	2.288	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CHH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CHH){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	106.4970	0.000	2	106.4970	0.000	2	107.3703	2.288	3	107.3703	2.288	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	3:3:2:2:	C[5]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-3:C-2:C-2:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)(CCC)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]C)(H)2	C[5](N[5,6]C[5,6]N[6])(C[5]C[5]C)(CN)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)(CCC){1|C<3>,1|H<1>,1|N<2>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]C)(H)2{1|N<2>,2|C<2>,2|C<3>}	C[5](N[5,6]C[5,6]N[6])(C[5]C[5]C)(CN)2{2|C<3>,3|H<1>}	107.0875	0.288	2	107.0875	0.083	2	107.0875	0.083	2	107.0875	0.083	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	3:3:3:2:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:O-2:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(OC){4|H<1>}	109.7980	0.000	1	109.7980	0.000	1	109.7980	0.000	1	109.7980	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(CHO)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]C)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(CHO){1|H<1>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	107.9775	1.269	2	107.9775	1.611	2	107.9775	1.611	2	108.0458	0.977	5	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H){4|H<1>}	108.0913	1.068	3	108.0913	1.141	3	108.0913	1.141	3	108.0458	0.977	5	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(CCC)	C[5](C[5,5,6]C[5,5]C[5,6]C[6,6])(C[5]C[5]C)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(CCC){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6,6])(C[5]C[5]C)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.4990	0.000	1	108.4990	0.000	1	108.9407	0.148	3	109.0053	0.747	25	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(CCC)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(CCC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.1240	0.000	1	109.1240	0.000	1	108.9407	0.148	3	109.0053	0.747	25	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(CCC)	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[5]C)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(CCC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[5]C)(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2{2|C<3>,2|H<1>,3|C<4>}	109.1990	0.000	1	109.1990	0.000	1	108.9407	0.148	3	109.0053	0.747	25	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(CHH)	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]C)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(CHH){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2{1|C<4>,2|O<2>,4|H<1>}	108.5810	0.000	1	108.5810	0.000	1	108.5810	0.000	1	109.0053	0.747	25	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(CC[6a]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]C)(H)2	C[5](C[3x5]C[5,5]2O[5])(C[5]C[5]C)(H)2	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(CC[6a]H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[3x5]C[5,5]2O[5])(C[5]C[5]C)(H)2{4|C<4>,4|H<1>}	108.7255	0.153	2	108.7255	0.024	2	108.7255	0.024	2	109.0053	0.747	25	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,5]HH)2(CHH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]C)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(H)2	C[5](C[5]C[5,5]HH)2(CHH){1|C<4>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(H)2{1|O<2>,2|C<3>,4|H<1>}	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	109.0053	0.747	25	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(CHH)	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5]C)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]C)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(CHH){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<4>,4|H<1>}	108.1050	0.000	1	108.1050	0.000	1	108.1050	0.000	1	109.0053	0.747	25	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(CC[6a]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]C)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(CC[6a]H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]C)(H)2{4|C<4>,4|H<1>}	108.5980	0.000	1	108.5980	0.000	1	108.3133	0.217	4	109.0053	0.747	25	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(CHH)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]C)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(CHH){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2{1|C<4>,1|O<2>,1|S<2>,4|H<1>}	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	107.9265	0.176	2	108.2183	0.271	3	108.3133	0.217	4	109.0053	0.747	25	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(CHH)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]C)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(CHH){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]C)(H)2{4|C<4>,4|H<1>}	108.8020	0.000	1	108.2183	0.271	3	108.3133	0.217	4	109.0053	0.747	25	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)2(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(CCH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{4|H<1>}	108.6720	0.000	1	108.6720	0.000	1	108.3838	0.195	5	109.0053	0.747	25	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)2(CC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(CC[5]H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{4|H<1>}	108.1580	0.000	1	108.1580	0.000	1	108.3838	0.195	5	109.0053	0.747	25	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)2(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(CC[6a]H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{4|H<1>}	107.7260	0.000	1	107.7260	0.000	1	108.3838	0.195	5	109.0053	0.747	25	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)2(CHH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2	C[5](C[5]C[5]ClN)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(CHH){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]ClN)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	108.8170	0.000	1	108.8170	0.000	1	108.3838	0.195	5	109.0053	0.747	25	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)2(CHH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HN)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(CHH){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	108.5460	0.000	1	108.5460	0.000	1	108.3838	0.195	5	109.0053	0.747	25	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)2(C[5]C[5]2)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)2(C[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{2|C<3>,4|H<1>}	109.0770	0.025	2	109.0770	0.001	2	109.5900	0.357	4	109.0053	0.747	25	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)2(C[5]S[5]2)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)2(C[5]S[5]2){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{2|S<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{2|S<2>,4|H<1>}	110.1030	0.127	2	110.1030	0.016	2	109.5900	0.357	4	109.0053	0.747	25	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)2(NRhO)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)2(NRhO){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{4|H<1>}	110.3677	0.814	3	110.3677	0.663	3	110.3625	0.442	4	109.0053	0.747	25	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)2(NSnN)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)2(NSnN){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{4|H<1>}	110.3470	0.000	1	110.3470	0.000	1	110.3625	0.442	4	109.0053	0.747	25	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:2:1:	C[5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-2:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CHH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(CN)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CHH){2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2{1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(CN)(H){2|C<3>,2|H<1>}	108.2780	0.000	1	108.2780	0.000	1	108.2780	0.000	1	108.0800	0.525	6	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:2:1:	C[5]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[5]H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(OH)(H){2|C<4>,5|H<1>}	108.6745	1.104	2	108.6745	1.218	2	108.1560	0.770	4	108.0800	0.525	6	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:2:1:	C[5]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[6a]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[6a]H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(OH)(H){2|C<4>,5|H<1>}	107.6375	0.129	2	107.6375	0.017	2	108.1560	0.770	4	108.0800	0.525	6	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:2:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H){4|H<1>}	107.5780	0.000	1	107.5780	0.000	1	107.5780	0.000	1	108.0800	0.525	6	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(H){4|H<1>}	107.9450	0.000	1	107.9450	0.000	1	107.9450	0.000	1	107.9450	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:3:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]I)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]I){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2{4|H<1>}	107.0210	0.000	1	107.0210	0.000	1	107.0210	0.000	1	107.0210	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCF)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCF){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(H){4|H<1>}	109.6810	0.000	1	109.6810	0.000	1	108.8635	0.711	4	108.6761	0.800	8	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]C){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){4|H<1>}	109.0350	0.245	2	109.0350	0.060	2	108.8635	0.711	4	108.6761	0.800	8	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHH)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]C)(CHHS)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHH){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(CHHS)(H){1|C<4>,3|H<1>}	107.7030	0.000	1	107.7030	0.000	1	108.8635	0.711	4	108.6761	0.800	8	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CC[6a]2)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(SNOO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CC[6a]2){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|S<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(SNOO)(H){4|H<1>}	107.3090	0.000	1	107.3090	0.000	1	107.3090	0.000	1	108.6761	0.800	8	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2	C[5](N[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]H){4|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](N[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){4|H<1>}	107.9600	0.000	1	107.9600	0.000	1	107.9600	0.000	1	108.6761	0.800	8	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:P-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(NC[6a]Ru)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(PRuCC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(NC[6a]Ru){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|P<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(PRuCC)(H){4|H<1>}	109.3430	0.232	2	109.3430	0.054	2	109.3430	0.054	2	108.6761	0.800	8	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:2:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CSiH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(CN)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CSiH){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<2>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(CN){4|H<1>}	107.3740	0.000	1	107.3740	0.000	1	107.3740	0.000	1	107.3740	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:3:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]2)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(CNO)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]2){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(CNO){4|H<1>}	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]Cl)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]Cl){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)2{4|H<1>}	109.3423	0.435	3	109.3423	0.189	3	109.3423	0.189	3	109.3423	0.189	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:2:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-2:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHH)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(CN)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHH){1|C<3>,1|C<4>,1|S<4>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(CN)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	109.0060	0.000	2	109.0060	0.000	2	109.0060	0.000	2	108.8160	0.108	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:2:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCH){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(OC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	108.4360	0.000	1	108.4360	0.000	1	108.4360	0.000	1	108.8160	0.108	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:2:1:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5,3x6]-4:C[5]-3:O-2:H-1:	N[5,6,6]-3:C[5]-3:C-4:H-1:	C[5](C[5]C[5,3x6]HO)(C[5]N[5,6,6]CH)(CHO)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5]C[5]C)(OH)(H)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]C)(CCHO)(H)	C[5](C[5]C[5,3x6]HO)(C[5]N[5,6,6]CH)(CHO){1|S<2>,2|C<3>}	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>}	109.6860	0.000	1	109.6860	0.000	1	109.6860	0.000	1	109.6860	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:2:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CC[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2{1|O<2>,3|C<3>,3|H<1>}	108.1780	0.000	1	108.1780	0.000	1	108.1780	0.000	1	108.1780	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:2:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH){2|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(OC)(H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCH)(H){1|C<3>,1|O<2>,2|H<1>}	108.8700	0.000	1	108.8700	0.000	1	108.8700	0.000	1	108.8700	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:2:2:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-3:C-2:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(CC[6a]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(CC)(OH)	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(CC[6a]H){1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(CC)(OH){1|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H)2{1|C<2>,1|C<4>,1|N<3>,1|O<2>}	108.1760	0.000	1	108.1760	0.000	1	108.1760	0.000	1	108.1760	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	3:2:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(COO)(H)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(COO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{2|C<3>,2|H<1>}	105.2330	0.000	1	105.2330	0.000	1	105.2330	0.000	1	105.2330	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	108.8887	0.829	3	108.8887	0.687	3	108.1728	0.812	15	108.1728	0.812	15	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCC)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]C){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	109.5200	0.000	1	109.5200	0.000	1	108.1728	0.812	15	108.1728	0.812	15	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]C[5])	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]C[5]){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	108.1980	0.000	1	108.1980	0.000	1	108.1728	0.812	15	108.1728	0.812	15	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]F)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]F){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	109.7550	0.000	1	109.7550	0.000	1	108.1728	0.812	15	108.1728	0.812	15	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCC)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]H){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	107.6627	0.467	3	107.6627	0.218	3	108.1728	0.812	15	108.1728	0.812	15	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CNO)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHH){1|C<3>,1|H<1>,1|S<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CNO)(H){1|S<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{2|C<3>,2|H<1>}	107.5238	0.421	5	107.5238	0.178	5	108.1728	0.812	15	108.1728	0.812	15	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHN)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHN){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	107.8460	0.000	1	107.8460	0.000	1	108.1728	0.812	15	108.1728	0.812	15	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CB[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]SS)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CB[5]C){2|H<1>,2|S<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H){2|H<1>,2|S<4>}	C[5](C[5]C[5]SS)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	108.3070	0.000	1	108.3070	0.000	1	108.5408	0.414	4	108.6019	0.728	9	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	108.9610	0.000	1	108.9610	0.000	1	108.5408	0.414	4	108.6019	0.728	9	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]B[5])	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]B[5]){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	107.7430	0.000	1	107.7430	0.000	1	108.5408	0.414	4	108.6019	0.728	9	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHH){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	109.1520	0.000	1	109.1520	0.000	1	108.5408	0.414	4	108.6019	0.728	9	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	N[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	C[5](N[5]C[5]HS)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH){1|S<4>,3|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|S<4>,3|H<1>}	C[5](N[5]C[5]HS)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	108.0410	0.000	1	108.0410	0.000	1	108.0410	0.000	1	108.6019	0.728	9	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCH){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	109.3860	0.081	3	109.3860	0.007	3	108.8033	1.363	4	108.6019	0.728	9	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[5]H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[5]H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	107.0550	0.000	1	107.0550	0.000	1	108.8033	1.363	4	108.6019	0.728	9	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:2:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(OC)(H){1|C<3>,3|H<1>}	107.3235	1.766	2	107.3235	3.118	2	107.3235	3.118	2	107.3235	3.118	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5]CH)2(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CHHO)(H)	C[5](C[5]C[5]CH)2(CC[6a]H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CHHO)(H){1|C<3>,3|H<1>}	107.6310	0.000	1	107.6310	0.000	1	107.6310	0.000	1	107.6310	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:3:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]O)(COO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CHH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]O)(COO){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	107.8160	0.000	1	107.8160	0.000	1	107.8160	0.000	1	107.8160	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:4:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,6]-4:C[6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]C[6a]C)(C[5]C[5,6]HH)(CHH)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]C)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2	C[5](C[5]C[5,6]C[6a]C)(C[5]C[5,6]HH)(CHH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]C)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.5410	0.000	1	110.5410	0.000	1	110.5410	0.000	1	110.5410	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:2:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CSiH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CHHO)(H)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CSiH){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{2|C<4>,2|H<1>}	105.4150	0.000	2	105.4150	0.000	2	105.4150	0.000	2	105.4150	0.000	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-3:C-4:H-1:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(CCH)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(H)2	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(CCH){1|C<3>,2|C<4>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	107.7650	0.081	2	107.7650	0.006	2	107.7650	0.006	2	108.3901	0.562	17	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCHH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	109.3580	0.000	1	109.3580	0.000	1	108.3994	0.535	14	108.3901	0.562	17	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	107.9130	1.018	2	107.9130	1.037	2	108.3994	0.535	14	108.3901	0.562	17	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]B[5])	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]B[5]){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	107.7120	0.000	1	107.7120	0.000	1	108.3994	0.535	14	108.3901	0.562	17	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]C)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]C){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCCH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	107.6875	1.282	2	107.6875	1.643	2	108.3994	0.535	14	108.3901	0.562	17	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]F)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]F){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	109.0740	0.000	1	109.0740	0.000	1	108.3994	0.535	14	108.3901	0.562	17	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[5a]HH)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]H){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[5a]HH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	108.1470	0.000	1	108.1470	0.000	1	108.3994	0.535	14	108.3901	0.562	17	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HH)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]H){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	108.3230	0.000	1	108.3230	0.000	1	108.3994	0.535	14	108.3901	0.562	17	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHH){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	108.8490	0.000	1	108.8490	0.000	1	108.3994	0.535	14	108.3901	0.562	17	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHS)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCCN)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHS){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCCN)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	108.8090	0.000	1	108.8090	0.000	1	108.3994	0.535	14	108.3901	0.562	17	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CSiC)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CSiC){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	108.7063	0.330	3	108.7063	0.109	3	108.3994	0.535	14	108.3901	0.562	17	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(C[5]C[5]2)	C[5](C[5]N[5]HH)(C[5]C[5]2)(CCHH)(H)	C[5](C[5]C[5]2)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]2)(CCHH)(H){1|S<4>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2)(N[5]C[5]S)(H)2{3|C<4>,3|H<1>}	109.5090	0.000	1	109.5090	0.000	1	109.5090	0.000	1	108.3901	0.562	17	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:3:4:4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CSiC)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(CCHH)2	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CSiC){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H){1|S<4>,2|C<4>}	C[5](C[5]C[5]C)(N[5]C[5]S)(CCHH)2{1|C<4>,3|H<1>}	110.0730	0.020	2	110.0730	0.000	2	109.6963	0.426	3	109.6963	0.426	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:3:4:4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CSiC)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(CH3)2	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CSiC){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H){1|S<4>,2|C<4>}	C[5](C[5]C[5]C)(N[5]C[5]S)(CH3)2{1|C<4>,3|H<1>}	108.9430	0.000	1	108.9430	0.000	1	109.6963	0.426	3	109.6963	0.426	3	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{2|C<4>,2|H<1>}	105.7475	0.211	4	105.7475	0.045	4	107.3859	2.765	10	107.5534	2.797	11	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2{2|C<4>,2|H<1>}	106.2830	0.000	1	106.2830	0.000	1	107.3859	2.765	10	107.5534	2.797	11	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]C){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<4>,3|H<1>}	109.3660	0.000	1	109.3660	0.000	1	107.3859	2.765	10	107.5534	2.797	11	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<4>,3|H<1>}	108.4500	0.000	1	108.4500	0.000	1	107.3859	2.765	10	107.5534	2.797	11	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CB[5]CH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHH){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CB[5]CH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<4>,3|H<1>}	108.7700	0.000	1	108.7700	0.000	1	107.3859	2.765	10	107.5534	2.797	11	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCN)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHH){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCN)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<4>,3|H<1>}	108.4450	0.000	1	108.4450	0.000	1	107.3859	2.765	10	107.5534	2.797	11	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HN)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHH){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HN)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<4>,3|H<1>}	109.5550	0.000	1	109.5550	0.000	1	107.3859	2.765	10	107.5534	2.797	11	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:P-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(CHH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(PO3)(H)	C[5](C[5]C[5]HN)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HP)(CHH){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(PO3)(H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]C)(H)2{1|C<3>,1|P<4>,2|H<1>}	109.2280	0.000	1	109.2280	0.000	1	109.2280	0.000	1	107.5534	2.797	11	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:2:1:	C[5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-3:C-4:H-1:	C[3,5,5]-4:C[5]-3:O-2:H-1:	C[5](C[5]C[3,5,5]HO)(C[5]C[5,5]CH)(CHH)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[5]C)(CCHO)(H)	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(C[5]C[5]C)(OC)(H)	C[5](C[5]C[3,5,5]HO)(C[5]C[5,5]CH)(CHH){1|H<1>,3|C<4>}	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[5]C)(CCHO)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(C[5]C[5]C)(OC)(H){4|C<4>,4|H<1>}	109.1070	0.000	1	109.1070	0.000	1	109.1070	0.000	1	109.1070	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:4:2:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OC)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OC){1|C<4>,3|H<1>}	110.1280	0.000	1	110.1280	0.000	1	109.7056	0.371	7	109.7056	0.371	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:4:2:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OH){1|C<4>,3|H<1>}	109.6352	0.635	6	109.6352	0.403	6	109.7056	0.371	7	109.7056	0.371	7	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:2:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CHH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CCHH)(CN)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CHH){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CCHH)(CN){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	106.1960	0.000	1	106.1960	0.000	1	106.1960	0.000	1	106.1960	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:3:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CSnH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CSnHH)(COO)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CSnH){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CSnHH)(COO){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	107.0440	1.851	2	107.0440	3.427	2	107.0440	3.427	2	107.0440	3.427	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:4:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]2)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]2){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	108.0200	0.000	1	108.0200	0.000	1	108.5512	0.211	14	108.5512	0.211	14	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:4:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]Br)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]Br){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	108.3510	0.000	1	108.3510	0.000	1	108.5512	0.211	14	108.5512	0.211	14	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:4:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]Cl)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]Cl){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	109.0503	0.321	3	109.0503	0.103	3	108.5512	0.211	14	108.5512	0.211	14	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:4:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	108.4132	0.379	6	108.4132	0.143	6	108.5512	0.211	14	108.5512	0.211	14	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:4:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	108.2680	0.000	1	108.2680	0.000	1	108.5512	0.211	14	108.5512	0.211	14	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:4:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHS)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHS)(CH3){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	108.2260	0.000	1	108.2260	0.000	1	108.5512	0.211	14	108.5512	0.211	14	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:4:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]O)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]O){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	109.2220	0.000	1	109.2220	0.000	1	108.5512	0.211	14	108.5512	0.211	14	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:4:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:N[5]-3:C-4:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(CB[5]C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]S)(CCHH)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(CB[5]C){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]C)(N[5]C[5]S)(CCHH)(H){2|C<4>,2|H<1>}	109.0350	0.000	1	109.0350	0.000	1	109.0350	0.000	1	109.0350	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:4:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]O){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{2|C<4>,2|H<1>}	108.0860	0.000	1	108.0860	0.000	1	108.0860	0.000	1	108.0860	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]2H)(C[5]N[5]HH)(CCH)	C[5](C[5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]2H)(C[5]N[5]HH)(CCH){1|S<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C)(H){1|Si<4>,1|C<3>,1|O<2>,1|S<4>,5|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	108.2434	0.497	5	108.2434	0.247	5	108.2434	0.247	5	108.2434	0.247	5	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[3,5]-4:C[5]-4:C[5]-3:H-1:	C[3,5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]HH)(CCC)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]C)(H)2	C[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]HH)(CCC){2|C<4>,2|H<1>,2|O<2>}	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	109.4200	0.000	1	109.4200	0.000	1	109.4200	0.000	1	108.2447	0.914	6	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	108.0753	0.344	3	107.7467	0.511	4	107.7467	0.511	4	108.2447	0.914	6	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	106.7610	0.000	1	107.7467	0.511	4	107.7467	0.511	4	108.2447	0.914	6	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CC[5]Br)	C[5](C[6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CC[5]Br){1|C<4>,2|C<3>,4|H<1>}	C[5](C[6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,3|H<1>}	109.0610	0.000	1	109.0610	0.000	1	109.0610	0.000	1	108.2447	0.914	6	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	4:3:2:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CHH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CHH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	108.4590	1.178	2	108.4590	1.388	2	108.4590	1.388	2	108.4590	1.388	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	4:3:4:1:	C[5]-4:C[5]-4:C[5]-3:	C[3,5]-4:C-4:C[5]-3:H-1:	C[3,5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[3,5]CH)2(C[5]C[5]O[5])	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[3,5]CH)2(C[5]C[5]O[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	110.5200	0.257	2	110.5200	0.066	2	110.5200	0.066	2	110.5200	0.066	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:4:3:2:	3:2:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:C[5]-3:O-2:	C[5]-3:O[5]-2:H-1:H-1:	C[5](C[5]C[5]2O)(C[5]O[5]HH)(CHH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]2C)(C[5]C[5]C)(OH)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]2O)(C[5]O[5]HH)(CHH){1|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]2C)(C[5]C[5]C)(OH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<2>,2|C<4>}	107.5570	0.000	1	107.5570	0.000	1	107.5570	0.000	1	107.5570	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:3:	4:4:3:2:	4:3:4:1:	C[5]-4:C[5]-4:C[5]-3:	C[3,5]-4:C-4:C[5]-3:O-2:	C[3,5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[3,5]CH)(C[5]C[3,5]CO)(C[5]C[5]O[5])	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(OH)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]CO)(C[5]C[5]O[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	111.6665	0.025	2	111.6665	0.001	2	111.6665	0.001	2	111.6665	0.001	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:4:	3:2:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(H)2{2|H<1>}	100.6000	0.000	1	100.6000	0.000	1	100.6000	0.000	1	100.6000	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:4:	3:3:2:1:	3:3:3:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(SC[6]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]S)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]O[5]N)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(SC[6]OO){1|N<3>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]S)(O[5]C[5])(H){1|N<3>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]O[5]N)(H){3|C<3>,3|H<1>}	109.5370	0.000	1	109.5370	0.000	1	109.7330	0.077	2	109.7330	0.077	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:4:	3:3:2:1:	3:3:3:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]S)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]O[5]N)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(SC[6a]OO){1|N<3>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]S)(O[5]C[5])(H){1|N<3>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]O[5]N)(H){3|C<3>,3|H<1>}	109.9290	0.000	1	109.9290	0.000	1	109.7330	0.077	2	109.7330	0.077	2	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	5:SP2_SP3_SP3	C[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:3:4:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:N-3:C-4:	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCdC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCdC)(CH3)	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCdC)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCdC)(CH3){1|N<3>,3|H<1>}	106.1240	0.000	1	106.1240	0.000	1	106.1240	0.000	1	106.1240	0.000	1	108.7756	2.581	636	108.1858	7.517	1810
818	474	474	6:SP2_SP3_SP3	C[5,5,6]	C[3x5,6]	C[5,6]	4:4:2:	3:4:4:4:	4:3:1:1:	C[3x5,6]-4:C[5,6]-4:N[5]-2:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-3:Br-1:H-1:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]BrH)(N[5]S[5])	C[3x5,6](C[5,5,6]C[5,6]N[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[3x5,6]N[5])(Br)(H)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]BrH)(N[5]S[5]){2|O<1>,3|C<4>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]N[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){1|Br<1>,2|O<1>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[3x5,6]N[5])(Br)(H){1|S<4>,2|H<1>,4|C<4>}	107.8900	0.000	1	107.8900	0.000	1	107.8900	0.000	1	107.8900	0.000	1	107.8900	0.000	1	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,5,6]	C[5,5,6]	C[5,5,6]	4:4:3:	3:3:3:4:	3:3:3:4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5,5,6]-3:C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,5,6]-3:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]C[6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]C[6a]){11|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]2){10|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH){10|C<3>,1|H<1>}	105.9770	0.000	1	105.9770	0.000	1	105.9770	0.000	1	105.9770	0.000	1	105.9770	0.000	1	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,5,6]	C[5,5,6]	C[5,6]	4:4:2:	3:3:4:4:	3:3:3:4:	C[5,5,6]-4:C[5,6]-4:N[5]-2:	C[5,6a]-3:C[5,5,6]-3:C[5]-4:C[6]-4:	C[5,5,6]-3:C[5]-3:N[6]-3:C-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a])	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]N[5])(C[5]C[5]CC)(C[6]C[6]HH)	C[5,6](C[5,5,6]C[5,5,6]N[5])(C[5]C[5]O)(N[6]C[6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]N[5])(C[5]C[5]CC)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]N[5])(C[5]C[5]O)(N[6]C[6]C)(CH3){2|C<4>,2|H<1>,3|C<3>}	109.1250	0.000	1	109.1250	0.000	1	109.1250	0.000	1	109.1250	0.000	1	109.1250	0.000	1	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:	C[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]CO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]CO)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	106.9610	0.000	1	106.9610	0.000	1	106.9610	0.000	1	106.9610	0.000	1	106.9610	0.000	1	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,3x6]	C[5,5,6]	4:4:3:	4:3:4:3:	4:3:3:1:	C[5,3x6]-4:C[5,5,6]-4:C[6]-3:	C[5,5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C-3:	P[5,5,6]-4:C[5,6,6]-3:C[5,6]-3:H-1:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]C)(C[5,5,6]P[5,5,6]C[5,6]H)(C[6]O[6]O)	C[5,3x6](C[5,5,6,6]P[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6]C[6])(C[6,6]C[6]P[6]H)(COO)	C[5,5,6](P[5,5,6]C[5,5,6,6]C[6]W)(C[5,6,6]C[5,3x6]C[6])(C[5,6]C[5,6]C)(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]C)(C[5,5,6]P[5,5,6]C[5,6]H)(C[6]O[6]O){1|C<3>,1|P<4>,1|W<6>,2|H<1>,3|C<4>}	C[5,3x6](C[5,5,6,6]P[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6]C[6])(C[6,6]C[6]P[6]H)(COO){2|C<3>,2|H<1>,2|O<2>,2|W<6>,3|C<4>}	C[5,5,6](P[5,5,6]C[5,5,6,6]C[6]W)(C[5,6,6]C[5,3x6]C[6])(C[5,6]C[5,6]C)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	111.3470	0.000	1	111.3470	0.000	1	111.3470	0.000	1	111.3470	0.000	1	111.3470	0.000	1	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,5,3x6]	C[5,6,6]	4:4:2:	3:4:4:3:	3:4:2:2:	C[5,5,3x6]-4:C[5,6,6]-4:N[5]-2:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:	C[5,6,6]-3:C[3x6]-4:S[5]-2:S[5]-2:	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[3x6]S[5]2)(N[5]C[5,6a])	C[5,5,3x6](C[5,6,6]C[5,6,6]N[5])(C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,6,6]C[5,5,3x6]N[5])(C[3x6]C[6,6]2H)(S[5]C[5])2	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[3x6]S[5]2)(N[5]C[5,6a]){1|N<3>,2|H<1>,3|C<3>,5|C<4>}	C[5,5,3x6](C[5,6,6]C[5,6,6]N[5])(C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]N[5]H)(C[5,6a]C[5,6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|S<2>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,5,3x6]N[5])(C[3x6]C[6,6]2H)(S[5]C[5])2{2|C<3>,2|C<4>,8|H<1>}	115.2780	0.000	1	115.2780	0.000	1	115.2780	0.000	1	115.2780	0.000	1	115.2780	0.000	1	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,5,6,6]	C[5,5,6,6]	4:4:1:	4:4:3:4:	4:4:3:1:	C[5,5,6,6]-4:C[5,5,6,6]-4:O-1:	C[3x5,6]-4:C[5,5,6]-4:C[5,6,6]-3:C-4:	C[3x5,6]-4:C[3,5,6]-4:C[5,6,6]-3:H-1:	C[5,6,6](C[5,5,6,6]C[3,5,6]C[3x5,6]H)(C[5,5,6,6]C[3x5,6]C[5,5,6]C)(O)	C[5,5,6,6](C[3x5,6]C[3,5,6]C[3x5,6]H)(C[5,5,6]C[5,5,6]O[5]C)(C[5,6,6]C[5,5,6,6]O)(CH3)	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]C)(C[3,5,6]C[3,5,6]C[3]H)(C[5,6,6]C[5,5,6,6]O)(H)	C[5,6,6](C[5,5,6,6]C[3,5,6]C[3x5,6]H)(C[5,5,6,6]C[3x5,6]C[5,5,6]C)(O){1|O<2>,2|H<1>,5|C<4>}	C[5,5,6,6](C[3x5,6]C[3,5,6]C[3x5,6]H)(C[5,5,6]C[5,5,6]O[5]C)(C[5,6,6]C[5,5,6,6]O)(CH3){3|H<1>,5|C<4>}	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]C)(C[3,5,6]C[3,5,6]C[3]H)(C[5,6,6]C[5,5,6,6]O)(H){3|C<4>,5|H<1>}	106.2450	0.000	1	106.2450	0.000	1	106.2450	0.000	1	106.2450	0.000	1	106.2450	0.000	1	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6,6]	4:4:3:	3:4:2:4:	4:3:3:4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6]-3:C[5,6]-4:O[5,5]-2:C[5,6]-4:	C[5,5,6,6]-4:C[5,6,6]-3:C[6]-3: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)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]H)(CH3)	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>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH){1|C<3>,5|H<1>,6|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	105.2660	0.000	1	105.2660	0.000	1	105.2660	0.000	1	105.2660	0.000	1	114.1600	158.206	2	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6,6]	4:4:3:	4:3:3:4:	3:3:3:4:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5]-4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6a]-3:C-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5]CH)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(CC[6a]HH)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5]CH){1|H<1>,1|O<1>,3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(CC[6a]HH){3|C<4>,6|C<3>}	123.0540	0.000	1	123.0540	0.000	1	123.0540	0.000	1	123.0540	0.000	1	114.1600	158.206	2	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6]	4:4:3:	3:2:3:4:	3:4:1:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,6,6]-3:C[5,5,6]-4:H-1: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)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(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){1|C<3>,1|N<3>,6|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<4>,1|S<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,2|C<4>,2|H<1>}	103.7870	0.171	2	103.7870	0.029	2	104.2973	0.796	3	104.2973	0.796	3	104.2973	0.796	3	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6]	4:4:3:	3:2:3:4:	3:4:1:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,6,6]-3:C[5,5,6]-4:H-1: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]N[6]H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(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]N[6]H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH){1|N<3>,7|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	105.3180	0.000	1	105.3180	0.000	1	104.2973	0.796	3	104.2973	0.796	3	104.2973	0.796	3	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6]	4:3:4:	4:4:3:1:	3:3:3:1:	C[5,5,6]-4:C[5,5,6]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-3:Cl-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,5,6]C[5,5,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,5,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6])(Cl)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])2(C[5,6,6]C[5,5,6]2)(Cl)	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,5,6]C[5,5,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){4|Cl<1>,8|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6])(Cl){2|Cl<1>,1|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])2(C[5,6,6]C[5,5,6]2)(Cl){1|Cl<1>,4|C<3>,4|C<4>}	122.7470	0.000	1	122.7470	0.000	1	122.7470	0.000	1	122.7470	0.000	1	106.8985	9.194	31	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6]	4:4:2:	3:4:4:1:	4:3:2:1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,2|H<1>,6|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H){1|O<1>,3|H<1>,4|C<4>}	105.7513	0.255	3	106.3254	0.355	17	106.3254	0.355	17	106.3254	0.355	17	106.8985	9.194	31	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6]	4:4:2:	3:4:4:1:	4:3:2:1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,3|H<1>,5|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H){1|O<1>,3|H<1>,4|C<4>}	106.4484	0.578	14	106.3254	0.355	17	106.3254	0.355	17	106.3254	0.355	17	106.8985	9.194	31	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6]	4:4:2:	3:4:4:4:	4:3:2:1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|O<2>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H){1|O<1>,2|H<1>,5|C<4>}	106.9140	0.000	1	106.8973	0.105	10	106.8973	0.105	10	106.8973	0.105	10	106.8985	9.194	31	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6]	4:4:2:	3:4:4:4:	4:3:2:1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|O<2>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H){1|O<1>,2|H<1>,5|C<4>}	106.8954	0.343	9	106.8973	0.105	10	106.8973	0.105	10	106.8973	0.105	10	106.8985	9.194	31	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6]	4:4:3:	3:3:2:3:	4:3:4:2:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6a]-3:C[5,6,6]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:C-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[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[6a]C[6a]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[6]C[6]HH)(CN)	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>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<2>,2|C<4>,4|H<1>,5|C<3>}	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[6]C[6]HH)(CN){1|C<4>,3|H<1>,5|C<3>}	104.8673	0.173	3	104.8673	0.030	3	104.8673	0.030	3	104.8673	0.030	3	106.8985	9.194	31	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,3x6]	4:4:3:	3:3:3:3:	4:3:3:3:	C[5,3x6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5,6,6]-3:C[6]-3:	C[5,6,6](C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]C[5,6,6])(C[6a]C[6a]2)	C[5,3x6](C[5,3x6]C[5,6,6a]2C[6,6a])(C[5,6,6]C[5,6,6]2)2(C[6]C[6]H)	C[5,6,6](C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){11|C<3>,1|H<1>,2|C<4>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]C[5,6,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,9|C<3>}	C[5,3x6](C[5,3x6]C[5,6,6a]2C[6,6a])(C[5,6,6]C[5,6,6]2)2(C[6]C[6]H){11|C<3>,2|C<4>}	124.7645	0.144	2	124.7645	0.021	2	124.7645	0.021	2	124.7645	0.021	2	124.7645	0.021	2	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,5,6]	3:4:4:	3:4:4:1:	4:3:2:1:	C[5,6,6]-3:C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6]-3:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-3:O[5,5]-2:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]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[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,6]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]2)(O[5,5]C[5,5,6])(H)	C[5,6,6](C[5,6,6]C[5,5,6]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){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,6]C[5]H)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]2)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	106.0925	0.340	2	106.0925	0.116	2	106.0925	0.116	2	106.0925	0.116	2	106.7290	5.219	6	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,5,6]	4:4:2:	4:3:2:1:	3:4:4:4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>}	107.1810	0.000	1	107.1810	0.000	1	107.1810	0.000	1	107.1810	0.000	1	106.7290	5.219	6	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,5,6]	4:4:3:	4:3:4:1:	3:4:3:1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-3:	C[5,5,6]-4:C[5,6,6]-3:Si[5,6]-4:H-1:	C[5,6,6]-3:Si[3x5]-4:C[5,6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]Si[5,6]H)(C[5,5,6]Si[3x5]C[5,6]H)(C[5,6]C[5,6]C[5])	C[5,6,6](C[5,5,6]Si[3x5]C[5,6]H)(C[5,6,6]C[5,5,6]C[5,6])(Si[5,6]C[5]2O[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6])(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]Si[5,6]H)(C[5,5,6]Si[3x5]C[5,6]H)(C[5,6]C[5,6]C[5]){1|O<2>,2|H<1>,4|C<3>,4|C<4>}	C[5,6,6](C[5,5,6]Si[3x5]C[5,6]H)(C[5,6,6]C[5,5,6]C[5,6])(Si[5,6]C[5]2O[6])(H){4|Si<4>,2|H<1>,3|C<3>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6])(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H){5|Si<4>,2|C<3>,2|C<4>,3|H<1>}	111.0530	0.000	1	111.0530	0.000	1	111.0530	0.000	1	111.0530	0.000	1	106.7290	5.219	6	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,5,6]	4:4:3:	4:3:4:1:	4:3:2:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:	C[5,5,6]-4:C[5,6,6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-3:O[5,5]-2:H-1:	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[5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(H)	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>}	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[6])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	104.9775	0.363	2	104.9775	0.132	2	104.9775	0.132	2	104.9775	0.132	2	106.7290	5.219	6	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:4:	3:3:3:4:	3:3:3:4:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6a]-3:C[3x6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	123.0250	0.000	1	123.0250	0.000	1	123.0250	0.000	1	123.0250	0.000	1	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	3:3:3:4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CCFF)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CCFF){2|C<4>,7|C<3>}	123.9020	0.000	1	123.9020	0.000	1	123.5638	0.183	13	123.6561	0.331	17	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	3:3:3:4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	123.1255	0.573	2	123.1255	0.329	2	123.5638	0.183	13	123.6561	0.331	17	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	3:3:3:4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	123.6257	0.081	3	123.6177	0.149	10	123.5638	0.183	13	123.6561	0.331	17	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	3:3:3:4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	123.6143	0.470	7	123.6177	0.149	10	123.5638	0.183	13	123.6561	0.331	17	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	3:3:3:4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[3x6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){4|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,6|C<3>}	123.1040	0.000	1	123.1040	0.000	1	123.1040	0.000	1	123.6561	0.331	17	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	3:3:3:4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3){5|C<3>,6|C<4>}	125.2610	0.000	1	125.2610	0.000	1	125.2610	0.000	1	123.6561	0.331	17	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	3:3:3:4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5a,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(CCFF)	C[5,6,6](C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(CCFF){2|C<4>,7|C<3>}	C[5,6,6](C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF){3|C<4>,6|C<3>}	123.5150	0.000	1	123.5150	0.000	1	123.5150	0.000	1	123.6561	0.331	17	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	3:3:3:4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	123.9430	0.000	1	123.9430	0.000	1	123.9430	0.000	1	123.6561	0.331	17	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:4:3:1:	3:3:3:1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2H)	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6]2)(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(H)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2H){2|P<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6]2)(H){1|H<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(H){1|H<1>,2|C<4>,6|C<3>}	122.7020	0.000	1	122.7020	0.000	1	122.7020	0.000	1	122.7020	0.000	1	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	4:4:3:2:	3:3:3:2:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6]O)(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(OO)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OO)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6]O)(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O){2|C<4>,3|O<2>,6|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(OO){2|C<4>,2|O<2>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OO){1|O<2>,4|C<3>,4|C<4>}	124.0490	0.000	1	124.0490	0.000	1	124.0490	0.000	1	124.0490	0.000	1	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:2:	3:3:4:4:	3:4:3:4:	C[5,6,6]-4:C[5,6,6]-4:N[5]-2:	C[5,6,6]-3:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6]N[5,6]C)(C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a])	C[5,6,6](C[5,6,6]C[5,6,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[5,6,6]N[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(CH3)	C[5,6,6](C[5,6,6]C[5,6]N[5,6]C)(C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a]){3|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]N[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(CH3){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	116.5030	0.020	2	116.5030	0.000	2	116.5030	0.000	2	116.5030	0.000	2	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:1:	3:3:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)2(Cl)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2){2|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,3|C<4>,5|C<3>}	121.7075	0.408	2	121.7075	0.166	2	121.7075	0.166	2	121.7075	0.166	2	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:1:	4:3:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2(Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,2|C<4>,6|C<3>}	125.1270	0.000	1	125.1270	0.000	1	126.3340	2.914	2	126.3340	2.914	2	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:1:	4:3:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)2(Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,2|C<4>,6|C<3>}	127.5410	0.000	1	127.5410	0.000	1	126.3340	2.914	2	126.3340	2.914	2	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:2:	3:3:3:2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:O-2:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:O-2:	C[5,6,6](C[5,6,6]C[5,6,6]2O)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC)	C[5,6,6](C[5,6,6]C[5,6,6]2O)2(C[5,6,6]C[5,6,6]2){2|C<4>,2|O<2>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC){2|O<2>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC){2|O<2>,3|C<4>,5|C<3>}	108.4700	0.362	2	108.4700	0.131	2	108.4700	0.131	2	117.9742	54.289	6	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:2:	3:3:3:2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:O-2:	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){2|O<2>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC){2|O<2>,3|C<4>,5|C<3>}	122.7262	0.330	4	122.7262	0.109	4	122.7262	0.109	4	117.9742	54.289	6	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:2:	4:3:3:2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:O-2:	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)2(OO)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){1|Br<1>,1|O<2>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)2(OO){2|C<4>,2|O<2>,6|C<3>}	125.0275	0.501	2	125.0275	0.251	2	125.0275	0.251	2	125.0275	0.251	2	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	3:3:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3){5|C<3>,5|C<4>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,5|C<3>}	123.9700	0.000	1	123.9700	0.000	1	123.9700	0.000	1	123.7978	0.679	10	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	3:3:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,6|C<3>}	125.5070	0.000	1	125.5070	0.000	1	125.5070	0.000	1	123.7978	0.679	10	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	3:3:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){5|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3){5|C<3>,6|C<4>}	122.0890	0.000	1	122.0890	0.000	1	122.0890	0.000	1	123.7978	0.679	10	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	3:3:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){5|C<3>,5|C<4>}	123.7290	0.000	1	123.7290	0.000	1	123.6656	0.007	5	123.7978	0.679	10	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	3:3:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){3|C<4>,6|C<3>}	123.6497	0.091	4	123.6497	0.008	4	123.6656	0.007	5	123.7978	0.679	10	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	3:3:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3){4|C<3>,6|C<4>}	124.0430	0.000	1	124.0420	0.000	2	124.0420	0.000	2	123.7978	0.679	10	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	3:3:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3){5|C<3>,5|C<4>}	124.0410	0.000	1	124.0420	0.000	2	124.0420	0.000	2	123.7978	0.679	10	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:3:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2H)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2(H)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2H)(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH){1|H<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2(H){4|C<4>,6|C<3>}	123.5660	0.402	2	123.5660	0.161	2	123.5660	0.161	2	123.5660	0.161	2	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:4:3:1:	3:3:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6](C[5,6,6]C[5,6,6]2)3(Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3(Cl){3|Cl<1>,4|C<3>,4|C<4>}	119.7710	0.000	1	119.7710	0.000	1	119.7710	0.000	1	119.7710	0.000	1	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	4:3:3:1:	3:3:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6](C[5,6,6]C[5,6,6]2Cl)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)2(Cl)	C[5,6,6](C[5,6,6]C[5,6,6]2)3(Cl)	C[5,6,6](C[5,6,6]C[5,6,6]2Cl)2(C[5,6,6]C[5,6,6]2){2|Cl<1>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3(Cl){3|Cl<1>,4|C<3>,4|C<4>}	124.9060	0.000	1	124.9060	0.000	1	124.9060	0.000	1	124.1953	0.386	3	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	4:3:3:1:	3:3:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6](C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)2(Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,4|C<3>,4|C<4>}	123.8400	0.117	2	123.8400	0.014	2	123.8400	0.014	2	124.1953	0.386	3	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	4:3:4:1:	3:4:4:2:	C[5,6,6]-4:C[5,6,6]-4:C[5]-3:	C[5,5,6]-4:C[5,6,6]-3:C[5,6]-4:H-1:	C[5,6,6]-3:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6]O[5])(C[5]C[5]H)	C[5,6,6](C[5,5,6]N[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[5])(C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6]O[5])(C[5]C[5]H){1|N<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]N[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5])(C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	110.4285	0.480	2	110.4285	0.231	2	110.4285	0.231	2	110.4285	0.231	2	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	4:4:3:1:	4:3:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,5,6]-4:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,5,6])	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,5,6]){4|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl){3|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(Cl){2|Cl<1>,4|C<3>,4|C<4>}	123.4940	0.000	1	123.4940	0.000	1	123.4940	0.000	1	123.4940	0.000	1	122.2780	16.847	53	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6]	4:3:4:	3:3:4:4:	3:4:4:1:	C[5,6,6]-4:C[5a,6]-3:C[5,6]-4:	C[5,6,6]-3:C[3x6]-3:C[6]-4:C[5]-4:	C[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)	C[5,6,6](C[5,6,6]C[5a,6]C[5,6])(C[3x6]C[3x6]2)(C[6]C[6]ClH)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5a,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H){1|Cl<1>,1|S<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,6,6](C[5,6,6]C[5a,6]C[5,6])(C[3x6]C[3x6]2)(C[6]C[6]ClH)(C[5]C[5]HH){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5a,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	104.8190	0.000	1	104.8190	0.000	1	104.8190	0.000	1	104.8190	0.000	1	115.5710	87.154	3	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6]	4:4:3:	4:3:4:4:	3:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6]-4:C[5,6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])	C[5,6,6](C[5,6]C[5]C[6]O)(C[5,6,6]C[5,6]2)(C[5]C[5]HO)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]){1|O<1>,2|O<2>,4|C<4>,9|H<1>}	C[5,6,6](C[5,6]C[5]C[6]O)(C[5,6,6]C[5,6]2)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,3|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<4>}	120.2760	0.000	1	120.2760	0.000	1	120.2760	0.000	1	120.2760	0.000	1	115.5710	87.154	3	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[5,6]	4:4:3:	4:4:3:2:	3:4:3:4:	C[5,6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6]-4:C[5,6]-4:C[5,6,6]-3:O-2:	C[5,6,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6]2O)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,6,6]C[5,6]2)(OH)	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(CH3)	C[5,6,6](C[5,6,6]C[5,6]2O)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,6,6]C[5,6]2)(OH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.6180	0.000	1	121.6180	0.000	1	121.6180	0.000	1	121.6180	0.000	1	115.5710	87.154	3	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6,6]	C[5,6]	C[5,6,6]	3:4:4:	4:3:3:2:	3:3:3:2:	C[5,6,6]-3:C[5,6,6]-4:C[5,6]-4:	C[5,6]-4:C[5,6,6]-3:C[5]-3:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]O)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)(OH)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]C[5,6])(OO)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]O){1|C<4>,2|O<2>,7|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)(OH){1|O<2>,2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]C[5,6])(OO){1|O<2>,2|C<4>,6|C<3>}	125.5050	0.000	1	125.5050	0.000	1	125.5050	0.000	1	125.5050	0.000	1	125.5050	0.000	1	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[3x5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]H)(C[5]S[5]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]H)(H)2	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H){1|N<3>,1|S<4>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]H)(C[5]S[5]HH){1|C<3>,2|O<1>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]H)(H)2{2|H<1>,4|C<4>}	102.8030	0.000	1	102.8030	0.000	1	102.8030	0.000	1	104.2380	4.118	2	104.6633	2.602	3	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[3x5,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[3x5,6]C[5,5,6]2C[5])(C[5,6]C[5,5,6,6]HH)(O)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,6]O)(C[5]C[5,5]HH)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[3x5,6]O)(H)2	C[5,6](C[3x5,6]C[5,5,6]2C[5])(C[5,6]C[5,5,6,6]HH)(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,6]O)(C[5]C[5,5]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[3x5,6]O)(H)2{1|O<2>,2|C<3>,3|C<4>}	105.6730	0.000	1	105.6730	0.000	1	105.6730	0.000	1	104.2380	4.118	2	104.6633	2.602	3	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:4:3:	4:4:3:1:	4:3:4:1:	C[3x5,6]-4:C[5,6]-4:C-3:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6]C[6]H)(CHH)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]C[5,6]C)(H)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6]C)(C[6]C[6]2Ru)(H)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6]C[6]H)(CHH){1|Ru<11>,3|H<1>,5|C<4>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]C[5,6]C)(H){1|C<4>,6|H<1>}	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6]C)(C[6]C[6]2Ru)(H){5|C<4>,5|H<1>}	105.5140	0.000	1	105.5140	0.000	1	105.5140	0.000	1	105.5140	0.000	1	104.6633	2.602	3	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,3x6]	C[5,5,6]	4:4:1:	4:3:4:4:	2:3:3:4:	C[5,3x6]-4:C[5,5,6]-4:O-1:	C[5,5,3x6]-4:C[5,6]-3:C[6]-4:C[6]-4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,6](C[5,3x6]C[5,5,3x6]C[6]2)(C[5,5,6]C[5,6]O[5,5]C)(O)	C[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]O[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)2	C[5,5,6](O[5,5]C[5,5,3x6])(C[5,6]C[5,3x6]O)(C[5,6]C[5,6,6]O)(CCHH)	C[5,6](C[5,3x6]C[5,5,3x6]C[6]2)(C[5,5,6]C[5,6]O[5,5]C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]O[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](O[5,5]C[5,5,3x6])(C[5,6]C[5,3x6]O)(C[5,6]C[5,6,6]O)(CCHH){1|C<3>,1|O<2>,3|C<4>}	105.8090	0.000	1	105.8090	0.000	1	105.8090	0.000	1	105.8090	0.000	1	105.4825	0.120	4	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,3x6]	C[5,5,6]	4:4:1:	4:4:3:1:	4:4:3:4:	C[5,3x6]-4:C[5,5,6]-4:O-1:	C[5,3x6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,3x6]C[5,5,6,6]C[5,3x6]H)(C[5,5,6]C[3x5,6]C[5,6]C)(O)	C[5,3x6](C[5,3x6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[5,5,6]O)(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,3x6]O)(CH3)	C[5,6](C[5,3x6]C[5,5,6,6]C[5,3x6]H)(C[5,5,6]C[3x5,6]C[5,6]C)(O){1|O<2>,4|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[5,5,6]O)(H){1|C<3>,4|C<4>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,3x6]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	105.3737	0.330	3	105.3737	0.109	3	105.3737	0.109	3	105.3737	0.109	3	105.4825	0.120	4	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,3x6]	C[5,6]	4:4:3:	4:4:3:1:	3:4:4:3:	C[5,3x6]-4:C[5,6]-4:C[5]-3:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]C)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5,3x6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,4|C<4>,7|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5])(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,3x6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O){4|H<1>,5|C<4>}	116.3655	0.462	2	116.3655	0.213	2	116.3655	0.213	2	116.3655	0.213	2	116.3655	0.213	2	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[5,5,6]	4:4:1:	4:3:4:3:	3:2:3:4:	C[5,5,6,6]-4:C[5,5,6]-4:O-1:	C[3x5,6,6]-4:C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5]C[6])(C[5,5,6]C[5,6]O[5,5]C)(O)	C[5,5,6,6](C[3x5,6,6]C[5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(C[5]O[5]O)	C[5,5,6](C[5,6]C[5,5,6,6]O)(O[5,5]C[3x5,6,6])(C[5,6]C[5,6,6]O)(CH3)	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5]C[6])(C[5,5,6]C[5,6]O[5,5]C)(O){1|O<2>,2|O<1>,5|C<4>}	C[5,5,6,6](C[3x5,6,6]C[5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(C[5]O[5]O){2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6,6]O)(O[5,5]C[3x5,6,6])(C[5,6]C[5,6,6]O)(CH3){1|C<3>,4|C<4>}	103.9750	0.000	1	103.9750	0.000	1	103.9750	0.000	1	103.9750	0.000	1	103.9750	0.000	1	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:4:1:	4:4:3:3:	4:3:1:1:	C[5,5,6,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6]C[5,5,6]HH)(O)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[5,6]C[5,6]O)(COO)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]O)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6]C[5,5,6]HH)(O){1|H<1>,2|C<3>,3|C<4>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[5,6]C[5,6]O)(COO){2|C<4>,8|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	106.4900	0.000	1	106.4900	0.000	1	106.4900	0.000	1	106.4900	0.000	1	106.3643	0.807	10	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:4:1:	4:4:3:4:	4:3:4:1:	C[5,5,6,6]-4:C[5,6]-4:O-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:C-4:H-1:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]CH)(O)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]O)(C[6]C[6]HO)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6,6]O)(CH3)(H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]CH)(O){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]O)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6,6]O)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	106.6589	0.235	8	106.6589	0.055	8	106.6589	0.055	8	106.6589	0.055	8	106.3643	0.807	10	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:4:3:	4:4:3:3:	3:3:1:1:	C[5,5,6,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:C[6]-3:	N[5,5,6]-3:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]N[5,5,6]HH)(CCH)	C[5,5,6,6](C[5,5,6]N[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(C[6]C[5a,6]C)	C[5,6](N[5,5,6]C[5,5,6]C[5,6])(C[5,6]C[5,5,6,6]C)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]N[5,5,6]HH)(CCH){2|C<3>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,6]N[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(C[6]C[5a,6]C){1|C<3>,1|N<3>,6|H<1>}	C[5,6](N[5,5,6]C[5,5,6]C[5,6])(C[5,6]C[5,5,6,6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	103.8820	0.000	1	103.8820	0.000	1	103.8820	0.000	1	103.8820	0.000	1	106.3643	0.807	10	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,5,6]	4:4:1:	4:3:2:1:	4:3:4:4:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,6,6]-4:C[5,6]-3:O[5,5]-2:H-1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[3x5,6]C[5]C)(O)	C[5,5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5,6]C[5,5,6]O)(O[5,5]C[3x5,6])(H)	C[5,5,6](C[3x5,6]O[5,5]O[5,6]C[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(CH3)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[3x5,6]C[5]C)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5,6]C[5,5,6]O)(O[5,5]C[3x5,6])(H){3|C<3>,4|C<4>}	C[5,5,6](C[3x5,6]O[5,5]O[5,6]C[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(CH3){1|C<4>,5|H<1>}	104.7320	0.000	1	104.7320	0.000	1	104.7320	0.000	1	104.7320	0.000	1	105.9203	2.564	23	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,5,6]	4:4:1:	4:3:2:2:	4:3:4:4:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5,6]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5,6]-3:C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(O)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3)	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(O){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2{1|C<3>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3){2|O<2>,3|H<1>}	106.2820	0.000	1	106.2820	0.000	1	106.2820	0.000	1	106.2820	0.000	1	105.9203	2.564	23	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,5,6]	4:4:1:	4:3:4:2:	4:3:4:1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5,6]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5,6]-3:C[5,6]-4:Cl-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,5]C[5,6]Cl)(O)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5])	C[5,5,6](C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]CH)(Cl)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,5]C[5,6]Cl)(O){1|Cl<1>,1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5]){1|Cl<1>,1|C<4>,3|O<2>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]CH)(Cl){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	107.1640	0.000	2	107.1640	0.000	2	107.2300	0.006	4	107.2300	0.006	4	105.9203	2.564	23	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,5,6]	4:4:1:	4:3:4:2:	4:3:4:1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5,6]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5,6]-3:C[5,6]-4:Cl-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,5]C[5,6]Cl)(O)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5])	C[5,5,6](C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HO)(Cl)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,5]C[5,6]Cl)(O){1|Cl<1>,3|C<4>,3|H<1>,3|O<2>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5]){1|Cl<1>,1|C<4>,3|O<2>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HO)(Cl){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	107.2960	0.000	2	107.2960	0.000	2	107.2300	0.006	4	107.2300	0.006	4	105.9203	2.564	23	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,5,6]	4:4:1:	4:3:4:2:	4:4:3:1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5,6]-3:C[5]-4:O[5]-2:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Br-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Br)(C[5,5,6]C[5,5,6]C[5]O[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Br)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(Br)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Br)(C[5,5,6]C[5,5,6]C[5]O[5])(O){1|Br<1>,2|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Br)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5]){1|Br<1>,2|C<4>,3|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(Br){1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	106.5940	0.000	2	106.5940	0.000	2	106.5940	0.000	2	107.0198	0.203	8	105.9203	2.564	23	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,5,6]	4:4:1:	4:3:4:2:	4:4:3:1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5,6]-3:C[5]-4:O[5]-2:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,5,6]C[5,5,6]C[5]O[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(Cl)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,5,6]C[5,5,6]C[5]O[5])(O){1|Cl<1>,3|C<4>,3|H<1>,3|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5]){1|Cl<1>,1|C<4>,4|H<1>,4|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(Cl){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>}	107.4140	0.000	2	107.4140	0.000	2	107.4140	0.000	2	107.0198	0.203	8	105.9203	2.564	23	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,5,6]	4:4:1:	4:3:4:2:	4:4:3:1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5,6]-3:C[5]-4:O[5]-2:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,6,6]C[5,5]Cl)(O)	C[5,5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(Cl)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,6,6]C[5,5]Cl)(O){1|Cl<1>,2|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5]){1|Cl<1>,2|C<4>,3|O<2>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(Cl){1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	107.0355	0.498	4	107.0355	0.248	4	107.0355	0.248	4	107.0198	0.203	8	105.9203	2.564	23	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,5,6]	4:4:1:	4:3:4:4:	4:3:2:2:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-3:O[5]-2:O[5]-2:	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(O){3|H<1>,5|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3){2|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2{4|C<4>,6|H<1>}	106.3590	0.000	1	106.3167	0.019	3	106.3167	0.019	3	106.3167	0.019	3	105.9203	2.564	23	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,5,6]	4:4:1:	4:3:4:4:	4:3:2:2:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-3:O[5]-2:O[5]-2:	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(O){3|H<1>,5|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3){2|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2{5|C<4>,5|H<1>}	106.2955	0.186	2	106.3167	0.019	3	106.3167	0.019	3	106.3167	0.019	3	105.9203	2.564	23	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,5,6]	4:4:3:	4:3:3:4:	3:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[3x5,6]-4:C[5,6]-3:C[6a]-3:C[5]-4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3x5,6]C[6a]C[5])(C[5,5,6]C[5,6]O[5,5]H)(CC[6a]O)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(C[5]N[5]HH)	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[6a]C[5])(C[5,5,6]C[5,6]O[5,5]H)(CC[6a]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(C[5]N[5]HH){1|S<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	104.0960	0.105	2	104.0960	0.011	2	104.0960	0.011	2	104.0960	0.011	2	105.9203	2.564	23	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,5,6]	4:4:3:	4:3:3:4:	3:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[3x5,6]-4:C[5,6a]-3:C[5,6]-3:C-4:	C[5,6]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6](C[5,5,6]C[3x5,6]C[5,6a]C)(C[5,5,6]C[5,6]O[5,5]H)(CHH)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,6]C[5,5,6]C)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6a]C)(C[5,5,6]C[5,6]O[5,5]H)(CHH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C)(CH3){1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	103.9320	0.000	1	103.9320	0.000	1	103.9320	0.000	1	103.9320	0.000	1	105.9203	2.564	23	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,5,6]	4:4:3:	4:3:4:1:	3:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[3x5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CCC)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CCC){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	102.7210	0.000	1	102.7210	0.000	1	103.0240	0.184	2	103.0240	0.184	2	105.9203	2.564	23	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,5,6]	4:4:3:	4:3:4:1:	3:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[3x5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CHH)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[5]N[5]HH)(H)	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CHH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[5]N[5]HH)(H){1|C<3>,1|S<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	103.3270	0.000	1	103.3270	0.000	1	103.0240	0.184	2	103.0240	0.184	2	105.9203	2.564	23	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,5,6]	4:4:3:	4:3:4:3:	3:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[3x5,6]-4:C[5,6]-3:C[5]-4:C-3:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(CHH)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[5]N[5]HH)(COO)	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(CHH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[5]N[5]HH)(COO){1|S<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	102.9530	0.000	1	102.9530	0.000	1	102.9530	0.000	1	102.9530	0.000	1	105.9203	2.564	23	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6,6]	4:4:1:	4:3:4:4:	4:3:4:1:	C[5,5,6]-4:C[5,6,6]-4:O-1:	C[5,5,6]-4:C[5,6]-3:C[5,6]-4:C-4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6,6]C[6]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]HH)(CCCH)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,5,6]O)(C[6]C[6]CH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6,6]C[6]H)(O){1|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]HH)(CCCH){1|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,5,6]O)(C[6]C[6]CH)(H){1|O<1>,3|C<4>,3|H<1>}	107.0920	0.000	1	107.0920	0.000	1	107.0920	0.000	1	107.0920	0.000	1	106.5613	0.235	4	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6,6]	4:4:1:	4:4:3:1:	4:3:4:3:	C[5,6,6]-4:C[5,5,6]-4:O-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]H)(O)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]O)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]O)(C[6]C[6]HO)(COO)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]H)(O){1|O<2>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]O)(C[6]C[6]HO)(COO){2|C<4>,6|H<1>}	106.7170	0.000	1	106.7170	0.000	1	106.7170	0.000	1	106.7170	0.000	1	106.5613	0.235	4	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6,6]	4:4:1:	4:4:3:2:	4:3:4:1:	C[5,5,6]-4:C[5,6,6]-4:O-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:O-2:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]O)(C[5,6,6]C[5,5,6,6]C[6]H)(O)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(OH)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]O)(C[5,6,6]C[5,5,6,6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(OH){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(H){2|O<2>,3|C<4>,6|H<1>}	106.5030	0.000	1	106.5030	0.000	1	106.5030	0.000	1	106.5030	0.000	1	106.5613	0.235	4	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6,6]	4:4:3:	3:3:2:3:	4:3:4:4:	C[5,5,6]-4:C[5,6,6]-4:C-3:	C[5,6,6a]-3:C[5,6]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]2)(CHP)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6]C[6]HH)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]2)(CHP){2|C<4>,4|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2){2|C<4>,3|H<1>,5|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6]C[6]HH)2{1|C<4>,4|H<1>,5|C<3>}	105.9330	0.000	1	105.9330	0.000	1	105.9330	0.000	1	105.9330	0.000	1	106.5613	0.235	4	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	3:4:4:3:	3:4:3:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O)	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O){1|C<3>,1|O<1>,2|H<1>,6|C<4>}	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	104.2870	0.000	1	104.4755	0.071	2	104.4755	0.071	2	104.4755	0.071	2	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	3:4:4:3:	3:4:3:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O)	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	104.6640	0.000	1	104.4755	0.071	2	104.4755	0.071	2	104.4755	0.071	2	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	3:4:4:4:	3:4:4:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O)	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2O)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2O)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	105.8510	0.000	1	105.8510	0.000	1	105.8510	0.000	1	105.8510	0.000	1	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:2:3:1:	4:3:4:4:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]CC)(O)	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H)	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]O)(CH3)2	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]CC)(O){1|C<4>,1|O<2>,2|C<3>}	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H){2|C<3>,5|C<4>}	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]O)(CH3)2{1|C<4>,1|H<1>}	105.3130	0.000	1	105.3130	0.000	1	105.3130	0.000	1	105.3130	0.000	1	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:2:3:3:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:N[5]-3:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]N[5])(C[5,6]C[5,5,6]HH)(O)	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(N[5]C[5]2)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]N[5])(C[5,6]C[5,5,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	104.3590	0.000	1	104.3590	0.000	1	104.3590	0.000	1	104.3590	0.000	1	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:2:3:4:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(O)	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(CCHH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]O)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(O){1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(CCHH){1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	104.6933	0.783	4	104.6933	0.612	4	104.6933	0.612	4	104.6933	0.612	4	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:3:3:3:	4:3:3:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]O)(C[6]C[6,6a]O)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[6]H)(O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O){1|C<4>,4|H<1>,8|C<3>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]O)(C[6]C[6,6a]O)(H){2|H<1>,6|C<3>}	104.7510	0.000	1	104.7510	0.000	1	104.7510	0.000	1	104.7510	0.000	1	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:3:4:4:	4:3:4:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[3x5]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5,6]C[5,5]C[6]H)(O)	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]N[6]HH)	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H)	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5,6]C[5,5]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>,2|N<3>,6|H<1>}	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]N[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H){1|N<3>,3|C<3>,3|C<4>}	104.2560	0.508	2	104.2560	0.258	2	104.2560	0.258	2	104.2560	0.258	2	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(O)	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]O)(H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(H)2	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(O){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]O)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(H)2{1|C<3>,1|C<4>,4|H<1>}	106.4930	0.000	1	106.4930	0.000	1	106.4930	0.000	1	106.2500	0.118	2	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(O)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]O)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(O){1|C<2>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]O)(H){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	106.0070	0.000	1	106.0070	0.000	1	106.0070	0.000	1	106.2500	0.118	2	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:4:3:1:	4:3:4:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(O)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CCHH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(O){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(H){1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CCHH)(H){1|C<4>,5|H<1>}	106.3800	0.000	1	106.3800	0.000	1	106.3800	0.000	1	106.3800	0.000	1	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:4:3:2:	4:3:4:4:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]CC)(O)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CH3)2	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]CC)(O){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(OH){2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CH3)2{1|C<4>,1|O<2>,4|H<1>}	107.4310	0.000	1	107.4310	0.000	1	107.4310	0.000	1	107.4310	0.000	1	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:Br-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]BrH)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(Br)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]BrH)(O){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|Br<1>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(Br)(H){2|H<1>,4|C<4>}	106.5000	0.000	1	106.5000	0.000	1	106.5000	0.000	1	106.6868	0.894	85	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CC[6a]2O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CC[6a]2O){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2{2|H<1>,4|C<4>}	107.6140	0.000	1	107.6140	0.000	1	106.6890	0.905	84	106.6868	0.894	85	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2{2|H<1>,4|C<4>}	106.6050	0.438	3	106.6050	0.191	3	106.6890	0.905	84	106.6868	0.894	85	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2{2|H<1>,4|C<4>}	106.6678	0.976	78	106.6678	0.952	78	106.6890	0.905	84	106.6868	0.894	85	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O){1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]O)(CH3){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2{2|H<1>,4|C<4>}	107.1820	0.088	2	107.1820	0.008	2	106.6890	0.905	84	106.6868	0.894	85	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:4:3:4:	4:3:3:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(O){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O)(H){2|H<1>,4|C<4>}	106.2300	0.000	1	106.2300	0.000	1	106.2300	0.000	1	106.2300	0.000	1	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:4:3:4:	4:3:4:4:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(O)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHHO)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(O){2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]O)(CH3){2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHHO)(CH3){2|C<4>,4|H<1>}	105.2557	0.257	3	105.2557	0.066	3	105.8427	1.423	4	105.8427	1.423	4	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:4:3:4:	4:3:4:4:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(O)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CH3)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(O){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CH3)2{2|C<4>,4|H<1>}	107.6040	0.000	1	107.6040	0.000	1	105.8427	1.423	4	105.8427	1.423	4	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:4:4:3:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5,6]C[5,5,6]HH)(O)	C[5,5,6](C[5,6]C[5,5,6]S[5,6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5,6]C[5,5,6]HH)(O){1|S<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]S[5,6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O){4|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2{2|H<1>,4|C<4>}	106.4250	0.000	1	106.4250	0.000	1	106.4250	0.000	1	106.4250	0.000	1	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:2:	4:4:3:4:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:N-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NN)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NN){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2{2|H<1>,4|C<4>}	107.7074	0.251	13	107.7074	0.063	13	107.7074	0.063	13	107.7074	0.063	13	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:2:	4:4:3:4:	4:3:4:1:	C[5,5,6]-4:C[5,6]-4:N-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:P-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HP)(NN)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(PC[6a]2W)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HP)(NN){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3){1|P<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(PC[6a]2W)(H){2|H<1>,4|C<4>}	107.5890	0.000	1	107.5890	0.000	1	107.5890	0.000	1	107.5890	0.000	1	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:3:	2:3:3:1:	4:3:3:1:	C[5,5,6]-4:C[5,6]-4:C-3:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:N-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HN)(CCH)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(NCC)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HN)(CCH){1|C<3>,2|H<1>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(NCC)(H){1|C<3>,2|H<1>}	103.2380	0.000	1	103.2380	0.000	1	103.2380	0.000	1	103.2380	0.000	1	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:3:	2:3:3:1:	4:3:4:1:	C[5,5,6]-4:C[5,6]-4:C-3:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHN)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CCHH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHN){1|C<3>,2|H<1>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CCHH)(H){1|C<3>,2|H<1>}	104.4270	0.000	1	104.4270	0.000	1	104.4270	0.000	1	104.4270	0.000	1	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:3:	3:2:3:3:	4:3:3:1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-3:H-1:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]CH)(CHH)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(COO)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]CH)(CHH){5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(COO)(H){5|C<3>}	104.1120	0.000	1	104.1120	0.000	1	104.1120	0.000	1	104.1120	0.000	1	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:3:	3:2:3:4:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]HH)(CN[5]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCCH)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]HH)(CN[5]O){1|C<4>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCCH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(H)2{1|C<4>,2|C<3>}	105.3090	0.000	1	105.3090	0.000	1	105.3090	0.000	1	105.3090	0.000	1	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:3:	4:2:3:4:	4:3:4:1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:S-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(CHH)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(SC[6a]OO)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(CHH){1|H<1>,1|O<2>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<4>,1|O<2>,1|S<4>,2|F<1>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(SC[6a]OO)(H){2|C<4>,2|F<1>}	104.5910	0.000	1	104.5910	0.000	1	104.5910	0.000	1	104.5910	0.000	1	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:N[6]-3:	C[5,5]-4:C[5,6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(N[6]Ga[6]O[6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]N[6])(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6])(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(N[6]Ga[6]O[6]){1|Ga<4>,1|O<2>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]N[6])(C[5,6]C[5,6]HH)(H){1|Ga<4>,1|O<2>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6])(H)2{1|Ga<4>,1|C<4>,1|O<2>,5|H<1>}	107.8550	0.000	1	107.8550	0.000	1	107.8550	0.000	1	107.8550	0.000	1	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:3:	4:3:4:3:	3:4:3:4:	C[5,5,6]-4:C[5,6]-4:C-3:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){1|C<3>,2|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3){1|O<2>,2|C<3>,2|C<4>}	104.3680	0.000	1	104.3145	0.006	2	104.3145	0.006	2	104.3145	0.006	2	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:3:	4:3:4:3:	3:4:3:4:	C[5,5,6]-4:C[5,6]-4:C-3:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){2|H<1>,2|O<1>,2|O<2>,4|C<4>}	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O){1|O<1>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	104.2610	0.000	1	104.3145	0.006	2	104.3145	0.006	2	104.3145	0.006	2	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:3:	4:3:4:4:	4:3:4:4:	C[5,5,6]-4:C[5,6]-4:C[6]-3:	C[5,5]-4:C[5,6]-3:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	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[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]HH)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6])(CH3)2	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>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6])(CH3)2{1|C<3>,3|C<4>,4|H<1>}	104.1450	0.000	1	104.1450	0.000	1	104.1450	0.000	1	104.1450	0.000	1	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:3:	4:4:3:1:	4:3:4:4:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(CBr2)	C[5,5,6](C[5,5]C[5,5,6]Br2)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]C)(CH3)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(CBr2){2|Br<1>,1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]Br2)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]C)(CH3)2{2|Br<1>,1|C<4>,3|H<1>}	107.4990	0.000	1	107.4990	0.000	1	107.4990	0.000	1	107.4990	0.000	1	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:3:	4:4:3:2:	4:3:4:4:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]CC)(CHH)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)2	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]CC)(CHH){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(OH){2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)2{1|C<4>,1|O<2>,4|H<1>}	106.0717	0.396	3	106.0717	0.157	3	106.0717	0.157	3	106.0717	0.157	3	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:3:	4:4:3:4:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:N-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NZnC)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NZnC){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2{2|H<1>,4|C<4>}	106.4085	0.145	2	106.4085	0.021	2	106.4085	0.021	2	106.4085	0.021	2	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:3:	4:4:3:4:	4:3:4:1:	C[5,5,6]-4:C[5,6]-4:N-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:P-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HP)(NNW)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(PC[6a]2W)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HP)(NNW){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3){1|P<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(PC[6a]2W)(H){2|H<1>,4|C<4>}	106.9490	0.000	1	106.9490	0.000	1	106.9490	0.000	1	106.9490	0.000	1	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:3:	5:2:3:3:	4:3:3:1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[3,5,6]-5:N[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:C-3:H-1:	C[5,6](C[5,5,6]C[3,5,6]N[5,5]C)(C[5,6]C[5,5,6]CH)(COO)	C[5,5,6](C[3,5,6]C[5,6]H[3]2Re)(N[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHH)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]C)(COO)(H)	C[5,6](C[5,5,6]C[3,5,6]N[5,5]C)(C[5,6]C[5,5,6]CH)(COO){1|Re<7>,2|C<4>,2|H<2>}	C[5,5,6](C[3,5,6]C[5,6]H[3]2Re)(N[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHH){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]C)(COO)(H){1|Re<7>,1|C<3>,1|C<5>,1|H<1>}	102.7500	0.000	1	102.7500	0.000	1	102.7500	0.000	1	102.7500	0.000	1	106.4170	1.511	138	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6,6]	C[5,5,6]	4:4:1:	4:3:2:1:	4:4:3:1:	C[5,5,6]-4:C[5,6,6]-4:O-1:	C[3x6]-4:C[5,6]-3:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(O)	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]O)(O[5,6]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]O)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(O){3|H<1>,4|C<4>}	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]O)(O[5,6]C[5,5,6])(H){1|C<3>,1|H<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]O)(H){2|C<4>,3|H<1>}	102.9490	0.000	1	102.9490	0.000	1	102.9490	0.000	1	102.9490	0.000	1	105.5929	1.359	14	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6,6]	C[5,5,6]	4:4:1:	4:3:4:1:	4:3:4:2:	C[5,6,6]-4:C[5,5,6]-4:O-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:O-2:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]O)(O)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CH)(H)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]CH)(OC)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]O)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]CH)(OC){1|H<1>,1|O<1>,2|C<4>}	106.1971	0.365	8	106.1971	0.133	8	106.1971	0.133	8	106.1971	0.133	8	105.5929	1.359	14	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6,6]	C[5,5,6]	4:4:1:	4:3:4:3:	2:3:3:4:	C[5,6,6]-4:C[5,5,6]-4:O-1:	C[5,5,3x6]-4:C[5,6]-3:C[6]-4:C-3:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(C[5,5,6]C[5,6]O[5,5]C)(O)	C[5,6,6](C[5,5,3x6]C[5,3x6]O[5,5]O[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(CCO)	C[5,5,6](O[5,5]C[5,5,3x6])(C[5,6]C[5,3x6]O)(C[5,6]C[5,6,6]O)(CCHH)	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(C[5,5,6]C[5,6]O[5,5]C)(O){1|O<1>,1|O<2>,4|C<4>}	C[5,6,6](C[5,5,3x6]C[5,3x6]O[5,5]O[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(CCO){1|C<3>,1|H<1>,5|C<4>}	C[5,5,6](O[5,5]C[5,5,3x6])(C[5,6]C[5,3x6]O)(C[5,6]C[5,6,6]O)(CCHH){1|C<3>,1|O<2>,3|C<4>}	106.0370	0.000	1	106.0370	0.000	1	106.0370	0.000	1	106.0370	0.000	1	105.5929	1.359	14	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6,6]	C[5,5,6]	4:4:1:	4:3:4:4:	3:2:3:4:	C[5,6,6]-4:C[5,5,6]-4:O-1:	C[3x5,6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,6](C[5,6,6]C[3x5,6,6]C[6]C)(C[5,5,6]C[5,6]O[5,5]C)(O)	C[5,6,6](C[3x5,6,6]C[5,5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3)	C[5,5,6](C[5,6]C[5,5,6,6]O)(O[5,5]C[3x5,6,6])(C[5,6]C[5,6,6]O)(CH3)	C[5,6](C[5,6,6]C[3x5,6,6]C[6]C)(C[5,5,6]C[5,6]O[5,5]C)(O){1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[3x5,6,6]C[5,5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6,6]O)(O[5,5]C[3x5,6,6])(C[5,6]C[5,6,6]O)(CH3){1|C<3>,4|C<4>}	106.5920	0.000	1	106.5920	0.000	1	106.5920	0.000	1	106.5920	0.000	1	105.5929	1.359	14	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6,6]	C[5,5,6]	4:4:1:	4:3:4:4:	4:2:3:1:	C[5,5,6]-4:C[5,6,6]-4:O-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]C)(O)	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3)	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]O)(H)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3){2|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]O)(H){2|C<3>,5|C<4>}	104.9530	0.000	1	104.9530	0.000	1	104.9530	0.000	1	104.9530	0.000	1	105.5929	1.359	14	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6,6]	C[5,5,6]	4:4:1:	4:4:3:1:	4:3:4:3:	C[5,5,6]-4:C[5,6,6]-4:O-1:	C[5,6]-4:C[6,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]H)(O)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6,6]O)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]H)(O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(H){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6,6]O)(C[5]C[5]HH)(C[6]C[6]H){1|Br<1>,2|C<4>,6|H<1>}	104.7040	0.000	1	104.7040	0.000	1	104.7040	0.000	1	104.7040	0.000	1	105.5929	1.359	14	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6,6]	C[5,5,6]	4:4:3:	4:3:4:1:	2:3:3:1:	C[5,6,6]-4:C[5,5,6]-4:C-3:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(CHH)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]N[6]HH)(H)	C[5,5,6](O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(CHH){1|C<3>,1|C<4>,1|N<3>,3|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]C)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5,5,6](O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]C)(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	103.4890	0.000	1	103.4890	0.000	1	103.4890	0.000	1	103.4890	0.000	1	105.5929	1.359	14	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6,6]	C[5,6]	4:4:1:	3:3:4:3:	3:3:3:1:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6]-3:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H)(O)	C[5,6,6](C[5,6]C[6,6]C[5])(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]O)	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5,6]H)(C[6]C[6]Si)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H)(O){1|Si<4>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[6,6]C[5])(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5,6]H)(C[6]C[6]Si)(H){1|C<3>,1|H<1>,2|C<4>}	103.7730	0.000	1	103.7730	0.000	1	103.7730	0.000	1	103.7730	0.000	1	111.0965	65.967	4	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6,6]	C[5,6]	4:4:1:	4:3:4:3:	3:3:3:1:	C[5,6,6]-4:C[5,6]-4:O-1:	C[6,6]-4:C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5]C)(C[6]C[6]O)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(O){1|O<1>,4|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5]C)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	104.3700	0.000	1	104.3700	0.000	1	104.3700	0.000	1	104.3700	0.000	1	111.0965	65.967	4	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6,6]	C[5,6]	4:4:3:	3:4:4:4:	3:4:2:1:	C[5,6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-3:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(C[5]C[5]H)	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)2(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(C[5]C[5]H){2|C<3>,3|C<4>,8|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)2(C[6]C[6]HH){1|O<2>,2|O<1>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,3|C<4>,3|H<1>}	117.7210	0.000	1	117.7210	0.000	1	117.7210	0.000	1	117.7210	0.000	1	111.0965	65.967	4	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6,6]	C[5,6]	4:4:3:	4:4:3:1:	3:4:3:1:	C[5,6,6]-4:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-3:H-1:	C[5,6]-3:P[5]-4:C[6]-3:H-1:	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]P[5]H)(C[5]C[6a]O[5])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]P[5,5,6]C[6]H)(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5,6,6]C[5])(P[5]O[5]MoC)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]P[5]H)(C[5]C[6a]O[5]){1|Mo<6>,1|C<4>,1|O<2>,1|P<4>,2|H<1>,5|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]P[5,5,6]C[6]H)(C[5,6]C[5,6]C[5])(H){1|Mo<6>,1|O<2>,1|P<4>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6,6]C[5])(P[5]O[5]MoC)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	118.5220	0.000	1	118.5220	0.000	1	118.5220	0.000	1	118.5220	0.000	1	111.0965	65.967	4	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,5,6]	4:4:1:	4:3:1:1:	4:2:3:1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(O)	C[5,6](C[5,5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(H)2	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(O){4|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H){1|C<3>,1|C<4>,3|H<1>}	104.0520	0.000	1	104.0520	0.000	1	104.0520	0.000	1	104.0520	0.000	1	105.7419	0.480	15	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,5,6]	4:4:1:	4:3:1:1:	4:4:3:3:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(COO)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(COO){5|H<1>}	105.1700	0.000	1	105.1700	0.000	1	105.1700	0.000	1	106.1960	0.820	3	105.7419	0.480	15	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,5,6]	4:4:1:	4:3:1:1:	4:4:3:3:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:N-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]N)(C[5,6]C[5,5,6]HH)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(NCH)	C[5,6](C[5,5,6]C[5,5]C[5,6]N)(C[5,6]C[5,5,6]HH)(O){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2{1|N<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(NCH){5|H<1>}	106.7090	0.249	2	106.7090	0.062	2	106.7090	0.062	2	106.1960	0.820	3	105.7419	0.480	15	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,5,6]	4:4:2:	4:3:1:1:	4:4:3:3:	C[5,5,6]-4:C[5,6]-4:N-2:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NC)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CNO)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NC){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CNO){5|H<1>}	106.0430	0.000	1	106.0430	0.000	1	106.0430	0.000	1	106.0430	0.000	1	105.7419	0.480	15	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,5,6]	4:4:3:	4:3:1:1:	3:4:3:4:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-3:Si-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(CHH)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]C)(H)2	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(SiC3)	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(CHH){1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]C)(H)2{1|Si<4>,1|C<4>,1|N<3>,2|H<1>}	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(SiC3){1|C<4>,4|H<1>}	105.7290	0.000	3	105.7290	0.000	3	105.4810	0.115	5	105.4810	0.115	5	105.7419	0.480	15	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,5,6]	4:4:3:	4:3:1:1:	3:4:3:4:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-3:Si-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(CHH)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]C)(H)2	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(SiC3)	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(CHH){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]C)(H)2{1|Si<4>,1|C<4>,1|N<3>,2|H<1>}	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(SiC3){5|H<1>}	105.1090	0.000	2	105.1090	0.000	2	105.4810	0.115	5	105.4810	0.115	5	105.7419	0.480	15	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,5,6]	4:4:3:	4:3:3:1:	4:4:3:1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CC[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CC[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,7|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,4|H<1>}	106.1715	0.122	2	106.1715	0.015	2	106.1715	0.015	2	106.1715	0.015	2	105.7419	0.480	15	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,5,6]	4:4:3:	4:3:3:4:	3:2:3:3:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:P[6]-4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]P[6])(CHH)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(P[6]O[6]2O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]P[6])(CHH){1|O<1>,2|O<2>,7|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(P[6]O[6]2O){2|C<4>,2|H<1>,7|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	105.8990	0.361	3	105.8990	0.130	3	105.8990	0.130	3	105.8990	0.130	3	105.7419	0.480	15	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	3:3:4:1:	3:4:3:1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)2(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)2(O){1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,4|H<1>}	104.3960	0.000	1	104.3960	0.000	1	104.3960	0.000	1	104.3960	0.000	1	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	3:4:3:4:	3:4:4:4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)2(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(CC[5]HH)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)2(O){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(CC[5]HH){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	104.3950	0.000	1	104.3950	0.000	1	104.3950	0.000	1	104.3950	0.000	1	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	3:4:4:1:	3:4:3:4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,5|H<1>}	105.7700	0.000	1	105.7700	0.000	1	105.9395	0.057	2	105.9395	0.057	2	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	3:4:4:1:	3:4:3:4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,5|H<1>}	106.1090	0.000	1	106.1090	0.000	1	105.9395	0.057	2	105.9395	0.057	2	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	3:4:4:4:	3:4:2:4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(O)	C[5,6](C[5,6]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]CH)(CH3){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(CH3){2|C<4>,4|H<1>}	104.2850	0.000	1	104.2850	0.000	1	104.2850	0.000	1	104.2850	0.000	1	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	4:3:3:1:	3:4:3:1:	C[5,6]-4:C[5,6]-4:O-1:	C[5]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)2(O)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)2(O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|H<1>}	103.7350	0.000	1	103.7350	0.000	1	103.7350	0.000	1	103.7350	0.000	1	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)2(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)2(O){3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	102.5025	0.094	2	102.5025	0.009	2	102.5025	0.009	2	102.5025	0.009	2	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	4:3:4:1:	3:4:3:1:	C[5,6]-4:C[5,6]-4:O-1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)2(O)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]CO)(H)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)2(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	103.8370	0.000	1	103.8370	0.000	1	103.8370	0.000	1	104.7793	0.739	3	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	4:3:4:1:	3:4:3:1:	C[5,6]-4:C[5,6]-4:O-1:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)2(O)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)2(O){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	105.2505	0.381	2	105.2505	0.145	2	105.2505	0.145	2	104.7793	0.739	3	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	4:3:4:1:	4:3:2:1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-3:O[6]-2:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]O[6]H)(O)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]O[6]H)(O){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(O[6]C[6])(H){3|C<4>,6|H<1>}	103.8600	0.000	1	103.8600	0.000	1	103.8600	0.000	1	103.8600	0.000	1	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[5]H)(O)	C[5,6](C[5,5,6]C[5,6a]C[5,5]O[5,6])(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[5]H)(O){1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]O[5,6])(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	102.4230	0.000	1	102.4230	0.000	1	102.4230	0.000	1	103.5385	0.763	4	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)2(O)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)2(O){1|N<3>,2|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	104.2340	0.000	2	104.2340	0.000	2	104.2340	0.000	2	103.5385	0.763	4	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	4:3:4:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)2(O)	C[5,6](C[5,6]O[5,6]C[5]Se)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)2(O){1|Se<2>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]O[5,6]C[5]Se)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	103.2630	0.000	1	103.2630	0.000	1	103.2630	0.000	1	103.5385	0.763	4	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	4:3:4:3:	3:4:4:1:	C[5,6]-4:C[5,6]-4:O-1:	C[5]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]O[6]HH)(CCH)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|C<3>,1|O<2>,7|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]O[6]HH)(CCH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	104.4060	0.000	1	104.4060	0.000	1	104.4060	0.000	1	104.4060	0.000	1	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:1:	4:4:3:4:	4:4:3:4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:C[5,6]-3:C-4:	C[5,6]-4:C[5]-4:C[5,6]-3:C-4:	C[5,6](C[5,6]C[5,6]C[5]C)2(O)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[5,6]C[5,6]C[5]C)2(O){1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3){2|C<4>,2|H<1>,4|C<3>}	104.9130	0.000	1	104.9130	0.000	1	104.9130	0.000	1	104.9130	0.000	1	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:2:	3:4:2:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:N[5]-2:	C[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(N[5]O[5])	C[5,6](C[5,6]C[5,6]N[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(N[5]O[5]){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]N[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	120.4845	1.091	2	120.4845	1.190	2	120.4845	1.190	2	120.4845	1.190	2	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:2:	4:3:2:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:N[5]-2:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(N[5]O[5])	C[5,6](C[5,6]C[5,5]S[6]H)(C[5,6]C[5,6]N[5])(O[5]C[5,5])(H)	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]S[6]HH)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(N[5]O[5]){1|S<4>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5]S[6]H)(C[5,6]C[5,6]N[5])(O[5]C[5,5])(H){2|C<4>,2|O<1>,3|H<1>,3|O<2>}	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]S[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	123.3220	0.025	2	123.3220	0.001	2	123.3220	0.001	2	123.3220	0.001	2	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:2:	4:3:3:1:	3:4:4:4:	C[5,6]-4:C[5,6]-4:N[5]-2:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]N[5,6]H)(C[5,6]C[5]C[6]C)(N[5]O[5])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]N[5])(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]N[5,6]H)(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]N[5])(N[5,6]C[5]C[6])(H){2|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,3|H<1>}	119.8810	0.000	1	119.8810	0.000	1	119.8810	0.000	1	119.8810	0.000	1	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	3:3:3:2:	3:3:3:2:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:O-2:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:O-2:	C[5,6](C[5,6]C[5,6a]C[5,6]O)2(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC)	C[5,6](C[5,6]C[5,6a]C[5,6]O)2(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC){1|C<4>,1|H<1>,1|O<2>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC){1|C<4>,1|H<1>,1|O<2>,8|C<3>}	118.3520	0.000	1	118.3520	0.000	1	118.3520	0.000	1	118.3520	0.000	1	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	3:3:3:2:	3:3:3:4:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:O-2:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:C-4:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(CHHO)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC){1|C<4>,1|H<1>,1|O<2>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(CHHO){1|H<1>,2|O<2>,8|C<3>}	117.9920	0.399	2	117.9920	0.159	2	117.9920	0.159	2	117.9920	0.159	2	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	3:3:4:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CBrH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C)(C[5]C[5]CC)(H)	C[5,6](C[6]C[6,6a]HH)(C[5,6]C[5,6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CBrH){4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C)(C[5]C[5]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]HH)(C[5,6]C[5,6]C)(C[5]C[5]HH)(H){1|H<1>,4|C<3>}	103.8275	0.001	2	103.8275	0.000	2	103.9005	0.013	4	103.9005	0.013	4	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	3:3:4:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CClH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C)(C[5]C[5]CC)(H)	C[5,6](C[6]C[6,6a]HH)(C[5,6]C[5,6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CClH){4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C)(C[5]C[5]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]HH)(C[5,6]C[5,6]C)(C[5]C[5]HH)(H){1|H<1>,4|C<3>}	103.9735	0.131	2	103.9735	0.017	2	103.9005	0.013	4	103.9005	0.013	4	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:3:1:	3:4:2:1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CHS)	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CHS){1|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,4|H<1>}	101.4690	0.000	1	101.4690	0.000	1	101.4690	0.000	1	101.4690	0.000	1	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:1:	3:4:2:2:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O[5]C[5])(OH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]H){1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O[5]C[5])(OH){1|O<1>,2|C<4>,4|H<1>}	114.5180	0.000	1	114.5180	0.000	1	114.5180	0.000	1	114.5180	0.000	1	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:4:	3:4:4:3:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-3:C[6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]ClC)(C[5]O[5]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(COO)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]ClC)(C[5]O[5]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(COO){1|O<2>,3|C<4>,4|H<1>}	119.2880	0.000	1	119.2880	0.000	1	119.8800	0.701	2	119.8800	0.701	2	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:4:	3:4:4:3:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-3:C[6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]ClC)(C[5]O[5]HO)(CH3)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(COO)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|Cl<1>,1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]ClC)(C[5]O[5]HO)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(COO){1|O<2>,3|C<4>,4|H<1>}	120.4720	0.000	1	120.4720	0.000	1	119.8800	0.701	2	119.8800	0.701	2	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:4:	3:4:4:4:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CCHO)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(CH3){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CCHO){2|O<2>,3|C<4>,3|H<1>}	121.2450	0.000	1	121.2450	0.000	1	121.2450	0.000	1	121.2450	0.000	1	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:4:	4:3:2:4:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3)	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3){1|O<2>,3|H<1>,7|C<4>}	116.9765	0.136	2	118.1723	4.299	3	118.1723	4.299	3	118.1723	4.299	3	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:4:	4:3:2:4:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3)	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3){1|C<3>,3|H<1>,6|C<4>}	120.5640	0.000	1	118.1723	4.299	3	118.1723	4.299	3	118.1723	4.299	3	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	4:3:2:1:	3:4:2:2:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]C[5])(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OC)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]C[5])(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	116.2130	0.000	1	116.2130	0.000	1	116.0425	0.058	2	116.0425	0.058	2	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	4:3:2:1:	3:4:2:2:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]C[5])(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]C[5])(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	115.8720	0.000	1	115.8720	0.000	1	116.0425	0.058	2	116.0425	0.058	2	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	4:3:3:1:	3:4:3:1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(CCC)	C[5,6](C[5,6]C[5,6]2H)(C[5,6]C[5,6]C)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C)(C[6]C[5,6]CC)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(CCC){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]2H)(C[5,6]C[5,6]C)(C[5]C[5]H)(H){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C)(C[6]C[5,6]CC)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|H<1>}	102.3680	0.000	1	102.3680	0.000	1	102.3680	0.000	1	102.3680	0.000	1	110.7387	62.973	43	109.5272	46.447	369
818	474	474	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	4:3:4:4:	4:3:4:3:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H){1|O<1>,1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]O){6|C<4>,8|H<1>}	121.5030	0.279	2	121.5030	0.078	2	121.5030	0.078	2	121.5030	0.078	2	110.7387	62.973	43	109.5272	46.447	369