643	371	466	0:SP2_SP2_SP3	C[6,6,6a]	N[6a]	C[3x6]	3:4:2:	3:3:	3:3:3:1:	C[6,6,6a]-3:C[3x6]-4:N[6a]-2:	C[6,6,6a]-3:C[6a,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a,6a])	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	123.8080	0.278	5	123.8080	0.077	5	123.8080	0.077	5	123.8434	0.116	7	123.8186	0.104	8	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6,6a]	N[6a]	C[3x6]	3:4:2:	3:3:	3:3:3:1:	C[6,6,6a]-3:C[3x6]-4:N[6a]-2:	C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a])	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a]){1|C<2>,1|H<1>,5|C<3>}	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C){1|C<2>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	123.9320	0.602	2	123.9320	0.363	2	123.9320	0.363	2	123.8434	0.116	7	123.8186	0.104	8	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6,6a]	N[6a]	C[3x6]	4:3:2:	3:3:	4:3:2:1:	C[3x6]-4:N[6,6,6a]-3:N[6a]-2:	C[6,6,6a]-3:C[6a,6a]-3:	C[5,6,6]-4:C[6,6,6a]-3:N[6,6]-2:H-1:	C[6,6,6a](C[3x6]C[5,6,6]N[6,6]H)(N[6,6,6a]C[3x6]C[6a])(N[6a]C[6a,6a])	N[6a](C[6,6,6a]N[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])	C[3x6](C[5,6,6]C[5,6a]C[5,5]C[6,6])(C[6,6,6a]N[6,6,6a]N[6a])(N[6,6]C[6,6])(H)	C[6,6,6a](C[3x6]C[5,6,6]N[6,6]H)(N[6,6,6a]C[3x6]C[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[6a](C[6,6,6a]N[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,6a]C[5,5]C[6,6])(C[6,6,6a]N[6,6,6a]N[6a])(N[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	123.6450	0.000	1	123.6450	0.000	1	123.6450	0.000	1	123.6450	0.000	1	123.8186	0.104	8	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6,6a]	N[6a]	C[6,6]	3:4:2:	3:3:	3:4:1:1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:H-1:H-1:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(N[6a]C[6a])	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2)	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)2	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)2{2|C<3>,2|H<1>,3|C<4>}	118.4366	0.371	5	118.4366	0.138	5	118.5467	0.183	6	118.5467	0.183	6	118.4482	0.540	12	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6,6a]	N[6a]	C[6,6]	3:4:2:	3:3:	3:4:1:1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:H-1:H-1:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(N[6a]C[6a])	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C)	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)2	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)2{2|C<3>,2|H<1>,3|C<4>}	119.0970	0.000	1	119.0970	0.000	1	118.5467	0.183	6	118.5467	0.183	6	118.4482	0.540	12	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6,6a]	N[6a]	C[6,6]	3:4:2:	3:3:	3:4:4:1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a])	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2)	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CCCH)(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CCCH)(H){2|C<3>,2|H<1>,3|C<4>}	118.7090	0.000	1	118.7090	0.000	1	118.5528	1.324	4	118.5528	1.324	4	118.4482	0.540	12	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6,6a]	N[6a]	C[6,6]	3:4:2:	3:3:	3:4:4:1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a])	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2)	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CC[6a]HH)(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CC[6a]HH)(H){2|C<3>,2|H<1>,3|C<4>}	117.7075	0.407	2	117.7075	0.165	2	118.5528	1.324	4	118.5528	1.324	4	118.4482	0.540	12	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6,6a]	N[6a]	C[6,6]	3:4:2:	3:3:	3:4:4:1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a])	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C[6])	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CH3)(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C[6]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	120.0870	0.000	1	120.0870	0.000	1	118.5528	1.324	4	118.5528	1.324	4	118.4482	0.540	12	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6,6a]	N[6a]	C[6,6]	3:4:2:	3:3:	4:3:4:1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a])	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2)	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a]){3|C<3>,3|C<4>,4|H<1>}	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H){1|N<2>,3|C<3>,3|H<1>,5|C<4>}	118.4140	0.000	1	118.4140	0.000	1	117.9435	0.443	2	117.9435	0.443	2	118.4482	0.540	12	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6,6a]	N[6a]	C[6,6]	3:4:2:	3:3:	4:3:4:1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a])	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C)	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a]){2|C<3>,4|C<4>,4|H<1>}	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H){1|N<2>,3|C<3>,3|H<1>,5|C<4>}	117.4730	0.000	1	117.4730	0.000	1	117.9435	0.443	2	117.9435	0.443	2	118.4482	0.540	12	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6,6]	3:4:2:	3:3:	3:3:4:1:	C[6,6a,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]H)(N[6a]C[6a,6a])	N[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a,6a]N[6a])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]H)(N[6a]C[6a,6a]){1|C<4>,2|H<1>,6|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a,6a]N[6a])(C[6,6]C[6,6]HH)(H){2|H<1>,6|C<3>}	117.1140	0.000	1	117.1140	0.000	1	117.1140	0.000	1	117.1140	0.000	1	114.0247	1.779	28	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6,6]	4:3:2:	3:3:	3:4:2:1:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:S[6,6]-2:H-1:	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]BrH)(S[6,6]C[6,6])(H)	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|Br<1>,1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]BrH)(S[6,6]C[6,6])(H){1|C<4>,1|H<1>,4|C<3>}	112.6946	0.566	7	112.9697	0.319	13	112.9958	0.282	15	112.9958	0.282	15	114.0247	1.779	28	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6,6]	4:3:2:	3:3:	3:4:2:1:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:S[6,6]-2:H-1:	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]BrH)(S[6,6]C[6,6])(H)	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|Br<1>,1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]BrH)(S[6,6]C[6,6])(H){1|C<4>,1|H<1>,4|C<3>}	113.2907	0.388	6	112.9697	0.319	13	112.9958	0.282	15	112.9958	0.282	15	114.0247	1.779	28	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6,6]	4:3:2:	3:3:	3:4:2:1:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:S[6,6]-2:H-1:	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(S[6,6]C[6,6])(H)	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|C<3>,5|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){1|Br<1>,1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(S[6,6]C[6,6])(H){1|C<4>,1|H<1>,4|C<3>}	113.1655	0.254	2	113.1655	0.064	2	112.9958	0.282	15	112.9958	0.282	15	114.0247	1.779	28	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6,6]	4:3:2:	3:3:	3:4:4:1:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|Br<1>,1|C<4>,4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H){1|C<4>,1|H<1>,4|C<3>}	114.7108	0.907	6	114.7108	0.822	6	115.0534	0.542	12	115.0534	0.542	12	114.0247	1.779	28	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6,6]	4:3:2:	3:3:	3:4:4:1:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|C<3>,7|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	115.3680	0.210	4	115.3960	0.089	6	115.0534	0.542	12	115.0534	0.542	12	114.0247	1.779	28	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6,6]	4:3:2:	3:3:	3:4:4:1:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,4|C<3>,6|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	115.4520	0.550	2	115.3960	0.089	6	115.0534	0.542	12	115.0534	0.542	12	114.0247	1.779	28	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:2:4:1:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a](N[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]O[6]CH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6](C[6,6a]N[6,6a]N[6a])(O[6]C[6])(CCCH)(H)	C[6,6a](N[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]O[6]CH){1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]N[6,6a]N[6a])(O[6]C[6])(CCCH)(H){1|H<1>,1|N<2>,2|C<3>}	117.7100	0.000	1	117.7100	0.000	1	117.7100	0.000	1	117.7100	0.000	1	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:3:1:1:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]C)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	116.9830	0.000	1	116.9830	0.000	1	116.9830	0.000	1	116.9830	0.000	1	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:3:2:1:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OH)(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|C<3>}	119.1790	0.000	1	119.1790	0.000	1	119.1790	0.000	1	119.1790	0.000	1	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:3:2:4:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-2:C-4:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OC[5])(CH3)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OC[5])(CH3){1|C<4>,1|O<1>,2|C<3>}	120.7970	0.000	1	120.7970	0.000	1	120.7970	0.000	1	120.7970	0.000	1	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:3:4:2:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C-4:O-2:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCCH)(OC)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCCH)(OC){1|C<4>,1|O<1>,2|C<3>}	119.2427	0.871	3	119.2427	0.759	3	119.2427	0.759	3	119.2427	0.759	3	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:3:4:4:	C[6,6a,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a])(C[6]C[6]CC)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]O)(CCHH)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a])(C[6]C[6]CC){1|N<3>,1|O<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,3|C<3>}	116.9550	0.458	2	116.9550	0.210	2	116.9550	0.210	2	116.9550	0.210	2	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[5,6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6])	C[6](C[6,6a]C[5,6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,2|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]N[6a])(C[6]C[6]CC)(H)2{1|H<1>,3|C<3>}	123.5753	0.413	6	123.5753	0.170	6	123.5753	0.170	6	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[5a,6,6a]-3:N[6a]-2:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[5a,6a])(C[6]C[6]HH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[5a,6,6a]C[6])	C[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[5a,6a])(C[6]C[6]HH){2|C<3>,2|N<3>,3|C<4>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[5a,6,6a]C[6]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	122.2850	0.000	1	122.2850	0.000	1	122.2850	0.000	1	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5,6a])(C[6]C[6]HH)	N[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5,6a])(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6]){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	115.8620	0.000	1	115.8620	0.000	1	115.8620	0.000	1	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[5a,6a])(C[6]C[6]HH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[5a,6a])(C[6]C[6]HH){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	115.9799	0.490	8	116.1017	0.344	9	116.1154	0.371	17	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[5a,6a])(C[6]C[6]HH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[5a,6a])(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	117.0760	0.000	1	116.1017	0.344	9	116.1154	0.371	17	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2{2|C<4>,3|C<3>}	116.8985	0.904	2	116.8985	0.818	2	116.1154	0.371	17	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	115.8328	0.430	5	115.8328	0.185	5	116.1154	0.371	17	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6]){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	116.0850	0.000	1	116.0850	0.000	1	116.1154	0.371	17	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6,6a])(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6]){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>}	116.1365	0.182	2	116.1365	0.033	2	115.9762	0.615	9	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	116.2060	0.148	2	116.2060	0.022	2	115.9762	0.615	9	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6]){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	114.9060	0.000	1	114.9060	0.000	1	115.9762	0.615	9	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6]){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	115.0230	0.000	1	115.0230	0.000	1	115.9762	0.615	9	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	115.7985	0.179	2	115.7985	0.032	2	115.9762	0.615	9	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	117.5750	0.000	1	117.5750	0.000	1	115.9762	0.615	9	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	115.6730	0.000	1	115.6730	0.000	1	115.6730	0.000	1	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<2>,1|N<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,4|C<3>}	116.7233	0.247	3	116.7233	0.061	3	116.6808	2.261	37	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5a,6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5a,6]HH)(H)2{4|C<3>}	117.4880	0.000	1	117.4880	0.000	1	116.6808	2.261	37	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	116.4905	0.018	2	117.0203	0.842	3	116.6808	2.261	37	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	118.0800	0.000	1	117.0203	0.842	3	116.6808	2.261	37	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	112.8230	0.000	1	112.8230	0.000	1	116.6808	2.261	37	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	116.9775	0.967	2	116.9775	0.934	2	116.6808	2.261	37	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|F<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	114.6190	0.000	1	115.3957	0.336	4	116.6808	2.261	37	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|O<1>,3|C<3>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	115.6547	0.320	3	115.3957	0.336	4	116.6808	2.261	37	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	117.1620	0.000	1	116.1003	0.960	11	116.6808	2.261	37	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	115.7430	0.122	2	116.1003	0.960	11	116.6808	2.261	37	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	116.1125	0.771	2	116.1003	0.960	11	116.6808	2.261	37	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	117.3490	0.000	1	116.1003	0.960	11	116.6808	2.261	37	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	116.0840	0.000	1	116.1003	0.960	11	116.6808	2.261	37	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	114.8480	0.000	1	116.1003	0.960	11	116.6808	2.261	37	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{4|C<3>}	117.6780	0.000	1	116.1003	0.960	11	116.6808	2.261	37	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	115.1355	0.366	2	116.1003	0.960	11	116.6808	2.261	37	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2{5|C<3>}	119.7660	0.000	1	119.4077	0.293	4	116.6808	2.261	37	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|N<2>,4|C<3>}	118.7040	0.000	1	119.4077	0.293	4	116.6808	2.261	37	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,5|C<3>}	119.5805	0.442	2	119.4077	0.293	4	116.6808	2.261	37	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|O<1>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	115.7620	0.000	1	115.1050	0.863	2	116.6808	2.261	37	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	114.4480	0.000	1	115.1050	0.863	2	116.6808	2.261	37	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	117.5337	0.431	3	117.5337	0.185	3	116.6808	2.261	37	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	118.1180	0.000	1	118.1180	0.000	1	116.6808	2.261	37	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	117.2225	0.083	2	117.2225	0.007	2	116.6808	2.261	37	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	119.9180	0.000	1	117.9688	1.532	5	117.9688	1.532	5	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	3:4:1:1:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	117.4815	0.678	4	117.9688	1.532	5	117.9688	1.532	5	117.1435	5.516	77	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	4:3:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6,6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6,6]HH){2|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	115.1382	0.181	4	115.1382	0.033	4	115.7300	0.957	6	115.7300	0.957	6	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	4:3:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2{2|C<4>,4|C<3>}	116.4220	0.000	1	116.9135	0.483	2	115.7300	0.957	6	115.7300	0.957	6	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:2:4:	3:3:	4:3:1:1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6]HH){1|N<3>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2{2|C<4>,4|C<3>}	117.4050	0.000	1	116.9135	0.483	2	115.7300	0.957	6	115.7300	0.957	6	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:2:	3:3:2:1:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:O[6a]-2:	C[6,6a]-3:C[6,6a]-3:S-2:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HS)(N[6a]O[6a])	N[6a](C[6,6a]C[6,6a,6a]C[6])(O[6a]C[6a])	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(SC)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HS)(N[6a]O[6a]){5|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(O[6a]C[6a]){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(SC)(H){2|O<2>,4|C<3>}	114.9710	0.000	1	114.9710	0.000	1	114.9710	0.000	1	114.9710	0.000	1	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:2:	3:4:1:1:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]N[6a])	N[6a](C[6,6a]C[6,6a,6a]C[6])(N[6a]C[6,6a])	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]N[6a]){1|N<2>,2|C<3>,3|C<4>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(N[6a]C[6,6a]){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]CC)(H)2{1|N<2>,2|C<3>,2|H<1>}	120.4278	0.161	8	120.4278	0.026	8	120.3391	0.034	14	120.3391	0.034	14	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:2:	3:4:1:1:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]N[6a])	N[6a](C[6,6a]C[6,6a,6a]C[6])(N[6a]C[6,6a])	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]N[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(N[6a]C[6,6a]){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	120.2210	0.150	6	120.2210	0.022	6	120.3391	0.034	14	120.3391	0.034	14	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:2:	3:4:4:4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]N[6a])	N[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]N[6a]){1|C<3>,2|H<1>,3|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<3>,1|N<2>,4|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,2|N<2>}	115.9873	0.568	3	115.9873	0.323	3	115.9873	0.323	3	115.9873	0.323	3	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>}	119.2910	0.000	1	119.2910	0.000	1	119.2910	0.000	1	119.2910	0.000	1	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:3:2:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6a]C[6a]){1|C<2>,1|O<2>,5|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|Br<1>,1|H<1>,6|C<3>}	115.2820	0.000	1	115.6925	0.337	2	115.6925	0.337	2	115.6925	0.337	2	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:3:2:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6a]C[6a]){1|C<2>,1|O<2>,5|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|H<1>,1|N<3>,6|C<3>}	116.1030	0.000	1	115.6925	0.337	2	115.6925	0.337	2	115.6925	0.337	2	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:3:3:1:	N[6,6a]-3:C[6]-4:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[5]-3:N[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6]N[5]N[6]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6](C[6,6a]N[6,6a]N[6a])(N[5]C[5,5]C[5])(N[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6]N[5]N[6]H)(N[6a]C[6a,6a]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6,6a]N[6,6a]N[6a])(N[5]C[5,5]C[5])(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	119.6320	0.000	1	119.6320	0.000	1	119.6320	0.000	1	119.6320	0.000	1	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:3:3:4:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)(N[6a]C[6a,6a])	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CCHH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)(N[6a]C[6a,6a]){1|N<3>,1|O<1>,6|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CCHH){1|C<4>,2|H<1>,5|C<3>}	117.5750	0.000	1	117.5750	0.000	1	117.5750	0.000	1	117.5750	0.000	1	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:3:4:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	116.7090	0.000	1	118.4330	1.403	4	118.4330	1.403	4	118.4330	1.403	4	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:3:4:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	119.0077	0.350	3	118.4330	1.403	4	118.4330	1.403	4	118.4330	1.403	4	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]O[6]HH)(H)2{3|C<3>}	119.2210	0.000	1	119.2210	0.000	1	119.2210	0.000	1	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[3x6]C[6]H)(H)2	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[3x6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	114.4930	0.000	1	114.4930	0.000	1	115.0620	0.105	7	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	115.3210	0.000	1	115.1150	0.050	5	115.0620	0.105	7	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	114.9160	0.000	1	115.1150	0.050	5	115.0620	0.105	7	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	114.8500	0.000	1	115.1150	0.050	5	115.0620	0.105	7	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	115.2440	0.113	2	115.1150	0.050	5	115.0620	0.105	7	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(N[6a]C[6a]){1|C<3>,3|C<4>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	115.3660	0.000	1	115.3660	0.000	1	115.0620	0.105	7	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,2|C<4>,5|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>}	115.5340	0.000	1	115.1183	0.183	4	115.8964	1.418	34	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>}	114.9797	0.399	3	115.1183	0.183	4	115.8964	1.418	34	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5]){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	116.8160	0.000	1	116.8160	0.000	1	115.8964	1.418	34	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	117.4780	0.000	1	117.1675	0.193	2	115.8964	1.418	34	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	116.8570	0.000	1	117.1675	0.193	2	115.8964	1.418	34	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	117.2117	0.367	3	117.2117	0.135	3	115.8964	1.418	34	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	113.0590	0.000	1	113.0590	0.000	1	115.8964	1.418	34	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]N)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	113.2800	0.354	2	113.2800	0.125	2	115.8964	1.418	34	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|O<1>,3|C<3>,3|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a]C[6a]){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	114.8280	0.000	1	114.8280	0.000	1	115.8964	1.418	34	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a]C[6a]){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	116.4210	0.000	1	116.4210	0.000	1	115.8964	1.418	34	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2{2|C<4>,3|C<3>}	117.1967	0.470	3	117.1967	0.221	3	115.8964	1.418	34	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	116.3300	0.000	1	116.1505	0.064	2	115.8964	1.418	34	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|O<1>,3|C<3>,3|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	115.9710	0.000	1	116.1505	0.064	2	115.8964	1.418	34	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	116.5710	0.000	1	115.9375	0.803	2	115.8964	1.418	34	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	115.3040	0.000	1	115.9375	0.803	2	115.8964	1.418	34	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	114.4190	0.000	1	114.7725	0.250	2	115.8964	1.418	34	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	115.1260	0.000	1	114.7725	0.250	2	115.8964	1.418	34	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	116.2320	0.000	1	116.2320	0.000	1	115.8964	1.418	34	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	115.8600	0.284	2	115.7423	0.082	3	115.8964	1.418	34	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	115.5070	0.000	1	115.7423	0.082	3	115.8964	1.418	34	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6]){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	116.4995	0.293	2	116.4995	0.086	2	115.8964	1.418	34	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]Cl)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]Cl){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(H)2{1|C<4>,3|C<3>}	116.2450	0.000	1	116.2450	0.000	1	115.8964	1.418	34	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]N)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]N){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,3|C<3>}	115.9670	0.000	1	115.9670	0.000	1	115.8964	1.418	34	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,2|C<4>,5|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	116.1840	0.226	2	116.1840	0.051	2	115.8964	1.418	34	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	N[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]C)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]C){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	117.7787	0.261	3	117.7787	0.068	3	117.7787	0.068	3	115.9659	1.679	45	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:2:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HO)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HO)(N[6a]C[6a]){1|C<4>,2|C<3>,5|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	115.0330	0.656	4	115.0330	0.431	4	115.0330	0.431	4	115.0330	0.431	4	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:3:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HN)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(NCC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HN)(N[6a]C[6a]){1|C<3>,1|C<4>,6|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(NCC)(H){1|C<4>,2|C<3>,2|H<1>}	116.8760	0.000	1	116.8760	0.000	1	116.8760	0.000	1	118.6365	2.110	4	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:3:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(N[6a]C[6a,6a]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	119.2233	1.048	3	119.2233	1.099	3	119.2233	1.099	3	118.6365	2.110	4	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]2N)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]2N)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	114.5190	0.000	1	114.5190	0.000	1	114.5190	0.000	1	114.5190	0.000	1	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:4:4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a]){1|C<3>,2|N<2>,4|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	117.0550	0.209	3	117.0550	0.044	3	117.0550	0.044	3	117.0550	0.044	3	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	4:3:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6,6a]C[6,6a]N[6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6,6a]C[6,6a]N[6a])(H)2{1|N<3>,1|O<1>,4|C<3>}	115.3960	0.000	1	115.3960	0.000	1	115.3960	0.000	1	115.7825	0.592	4	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	4:3:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2{1|C<4>,4|C<3>}	116.8970	0.000	1	116.8970	0.000	1	116.8970	0.000	1	115.7825	0.592	4	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	4:3:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:Br-1:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]BrH)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]N[6a])(Br)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]BrH)(N[6a]C[6a,6a]){2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]N[6a])(Br)(H){1|C<4>,2|H<1>,4|C<3>}	115.4185	0.347	2	115.4185	0.121	2	115.4185	0.121	2	115.7825	0.592	4	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	4:3:2:	3:3:	3:3:4:1:	C[6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)	C[6](C[6,6a]C[6,6a]N[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2){1|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,8|C<3>}	117.7860	0.014	2	117.7860	0.000	2	117.7860	0.000	2	117.7860	0.000	2	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[6]	4:3:2:	3:3:	3:3:4:4:	C[6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]N[6a])2(C[6]C[6,6a]2H)(CH3)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])2(C[6]C[6,6a]2H)(CH3){1|C<4>,8|C<3>}	118.7755	0.325	2	118.7755	0.105	2	118.7755	0.105	2	118.7755	0.105	2	117.0930	4.594	184	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[3x6]	3:4:2:	3:3:	3:4:4:4:	C[6a]-3:C[3x6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a](C[6a]C[6a,6a]H)(C[3x6]C[6,6]3)(N[6a]C[6a])	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[6a]C[6a]N[6a])(C[6,6]C[3x6]HH)3	C[6a](C[6a]C[6a,6a]H)(C[3x6]C[6,6]3)(N[6a]C[6a]){2|C<3>,3|C<4>,7|H<1>}	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[6a]C[6a]N[6a])(C[6,6]C[3x6]HH)3{2|C<3>,3|C<4>,4|H<1>}	114.4830	0.000	1	114.4830	0.000	1	114.4830	0.000	1	114.4830	0.000	1	116.0462	2.603	6	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[3x6]	4:2:3:	3:3:	3:4:4:4:	C[3x6]-4:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a](C[3x6]C[6,6]3)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[3x6]C[6a])	C[3x6](C[6a]C[6a]N[6a])(C[6,6]C[3x6]HH)3	C[6a](C[3x6]C[6,6]3)(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,7|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[3x6]C[6a]){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[3x6](C[6a]C[6a]N[6a])(C[6,6]C[3x6]HH)3{2|C<3>,3|C<4>,4|H<1>}	118.7460	0.000	1	118.7460	0.000	1	118.7460	0.000	1	118.7460	0.000	1	116.0462	2.603	6	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[3x6]	4:3:2:	3:3:	3:4:4:4:	C[3x6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6a]C[6a]N[6a])(C[6,6]C[3x6]HH)3	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,3|C<4>,8|H<1>}	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[6a]C[6a]N[6a])(C[6,6]C[3x6]HH)3{3|C<3>,3|C<4>,3|H<1>}	115.2843	0.334	3	115.7620	0.987	4	115.7620	0.987	4	115.7620	0.987	4	116.0462	2.603	6	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[3x6]	4:3:2:	3:3:	3:4:4:4:	C[3x6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6a]C[6a]N[6a])(C[6,6]C[3x6]HH)3	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|C<4>,7|H<1>}	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6a]C[6a]N[6a])(C[6,6]C[3x6]HH)3{3|C<3>,3|C<4>,3|H<1>}	117.1950	0.000	1	115.7620	0.987	4	115.7620	0.987	4	115.7620	0.987	4	116.0462	2.603	6	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6,6]	4:3:2:	3:3:	3:3:3:1:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[3x6]-3:N[3x6]-3:H-1:	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Br)	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H)	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<3>,1|H<1>,4|C<4>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Br){1|C<3>,2|N<3>,3|H<1>}	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H){1|C<4>,1|N<4>,4|C<3>,7|H<1>}	117.1810	0.000	1	117.1810	0.000	1	117.0722	1.913	4	117.0722	1.913	4	116.1326	2.477	10	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6,6]	4:3:2:	3:3:	3:3:3:1:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[3x6]-3:N[3x6]-3:H-1:	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H)	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>,4|C<4>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	117.0360	1.692	3	117.0360	2.862	3	117.0722	1.913	4	117.0722	1.913	4	116.1326	2.477	10	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6,6]	4:3:2:	3:3:	3:3:3:2:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6])	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6]){1|C<4>,1|H<1>,7|C<3>}	114.4920	0.000	1	114.4920	0.000	1	114.4920	0.000	1	114.4920	0.000	1	116.1326	2.477	10	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6,6]	4:3:2:	3:3:	3:3:3:3:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6,6]H)	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6,6]H){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	114.1250	0.000	1	114.1250	0.000	1	114.1250	0.000	1	114.1250	0.000	1	116.1326	2.477	10	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6,6]	4:3:2:	3:3:	3:4:3:1:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[3x6]-4:N[3x6]-3:H-1:	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Br)	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Br){1|C<3>,1|N<3>,1|N<4>,3|H<1>}	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	116.3755	1.739	2	116.3755	3.023	2	116.3755	3.023	2	116.3755	3.023	2	116.1326	2.477	10	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6,6]	4:3:2:	3:3:	3:4:3:3:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6,6]C[6,6,6a]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]C)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6a](C[6,6]C[6,6,6a]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H){1|C<4>,2|H<1>,8|C<3>}	114.6140	0.000	1	115.8345	2.979	2	115.8345	2.979	2	115.8345	2.979	2	116.1326	2.477	10	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6,6]	4:3:2:	3:3:	3:4:3:3:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6,6]C[6,6,6a]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]C)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6a](C[6,6]C[6,6,6a]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H){2|C<4>,2|H<1>,7|C<3>}	117.0550	0.000	1	115.8345	2.979	2	115.8345	2.979	2	115.8345	2.979	2	116.1326	2.477	10	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	2:3:4:	3:3:	3:3:3:1:	N[6a]-2:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){2|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H){1|H<1>,1|O<1>,4|C<3>}	117.9580	0.000	1	117.9580	0.000	1	117.0163	0.665	3	117.0163	0.665	3	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	2:3:4:	3:3:	3:3:3:1:	N[6a]-2:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]S)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]S)(H){3|H<1>,4|C<3>}	116.5580	0.000	1	116.5580	0.000	1	117.0163	0.665	3	117.0163	0.665	3	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	2:3:4:	3:3:	3:3:3:1:	N[6a]-2:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)(N[6]C[6]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H){2|C<3>,2|H<1>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){2|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	116.5330	0.000	1	116.5330	0.000	1	117.0163	0.665	3	117.0163	0.665	3	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	2:3:4:	3:3:	3:4:4:1:	N[6a]-2:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6]C[6]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6]C[6]2H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	115.5990	0.000	1	115.5990	0.000	1	118.6064	5.758	5	118.6064	5.758	5	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	2:3:4:	3:3:	3:4:4:1:	N[6a]-2:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,5|H<1>}	116.4240	0.000	1	116.4240	0.000	1	118.6064	5.758	5	118.6064	5.758	5	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	2:3:4:	3:3:	3:4:4:1:	N[6a]-2:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(C[6]C[6]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	120.3363	0.350	3	120.3363	0.122	3	118.6064	5.758	5	118.6064	5.758	5	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	3:2:2:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a](C[6a]C[6a]H)(C[6]O[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6a]C[6a]N[6a])(O[6]C[6])2(H)	C[6a](C[6a]C[6a]H)(C[6]O[6]2H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(O[6]C[6])2(H){1|C<4>,2|C<3>,5|H<1>}	114.9250	0.000	1	114.9250	0.000	1	114.9250	0.000	1	114.9250	0.000	1	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	3:2:2:4:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6a](C[6a]C[6a]H)(C[6]O[6]2C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2	C[6](C[6a]C[6a]N[6a])(O[6]C[6])2(CH3)	C[6a](C[6a]C[6a]H)(C[6]O[6]2C)(N[6a]C[6a]){1|C<3>,1|H<1>,3|C<4>}	N[6a](C[6a]C[6a]C[6])2{1|C<3>,2|C<4>,2|H<1>,4|O<2>}	C[6](C[6a]C[6a]N[6a])(O[6]C[6])2(CH3){1|C<4>,2|C<3>,5|H<1>}	115.4080	0.000	1	115.4080	0.000	1	115.4080	0.000	1	115.4080	0.000	1	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	3:3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(C[6]C[6]N)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	117.4310	0.000	1	117.4310	0.000	1	117.4310	0.000	1	116.8090	0.268	6	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	3:3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H){1|H<1>,1|O<1>,4|C<3>}	117.2970	0.000	1	117.2970	0.000	1	116.6846	0.219	5	116.8090	0.268	6	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	3:3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a]){1|C<3>,2|H<1>,4|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)2(H){1|C<4>,2|C<3>,5|H<1>}	116.5767	0.437	3	116.5767	0.191	3	116.6846	0.219	5	116.8090	0.268	6	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	3:3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)2(H)	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a]){1|C<3>,2|N<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)2(H){1|H<1>,2|C<4>,3|C<3>}	116.3960	0.000	1	116.3960	0.000	1	116.6846	0.219	5	116.8090	0.268	6	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	3:3:3:2:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6]N[6]2O)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)2(OC)	C[6a](C[6a]C[6a]H)(C[6]N[6]2O)(N[6a]C[6a]){2|Re<6>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)2(OC){1|H<1>,1|N<2>,4|C<3>}	117.1830	0.110	2	117.1830	0.012	2	117.1830	0.012	2	117.1830	0.012	2	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	3:3:3:4:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6]C[6]2C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2(CCHH)	C[6a](C[6a]C[6a]H)(C[6]C[6]2C)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2(CCHH){1|H<1>,1|N<3>,4|C<3>}	115.7120	0.000	1	115.7120	0.000	1	115.7120	0.000	1	115.1140	0.373	6	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	3:3:3:4:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)2(CH3)	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)2(CH3){1|C<4>,2|C<3>,5|H<1>}	115.4410	0.000	1	115.4410	0.000	1	114.9944	0.359	5	115.1140	0.373	6	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	3:3:3:4:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)2(CH3)	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a]){1|C<3>,3|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[6])2{1|C<3>,2|C<4>,2|H<1>,4|N<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)2(CH3){1|C<4>,2|C<3>,5|H<1>}	114.8828	0.629	4	114.8828	0.396	4	114.9944	0.359	5	115.1140	0.373	6	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	3:3:4:1:	C[5a,6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6]N[6,6]C[6]H)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[5a,6a]N[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6]N[6,6]C[6]H)(N[6a]C[6a]){1|C<4>,4|H<1>,5|C<3>}	N[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C[6](C[6a]C[5a,6a]N[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	117.7480	0.000	1	117.7480	0.000	1	117.7480	0.000	1	117.7480	0.000	1	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6]H)(N[6a]C[6a,6a]){1|N<3>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(H){1|H<1>,1|N<2>,6|C<3>}	116.4420	0.000	1	116.4420	0.000	1	116.4420	0.000	1	116.4420	0.000	1	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:4:1:	C[6a,6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]C)	C[6](C[6a]C[6a,6a]N[6a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]2H)(N[6a]C[6a]){2|C<4>,4|C<3>,5|H<1>}	N[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]C){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a,6a]N[6a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<3>,5|C<4>}	117.0090	0.000	1	117.0090	0.000	1	117.0090	0.000	1	116.6909	1.983	17	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:4:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	118.3400	0.000	1	118.3400	0.000	1	116.6710	2.108	16	116.6909	1.983	17	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:4:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6]){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,5|H<1>}	115.4460	0.000	1	115.4460	0.000	1	116.6710	2.108	16	116.6909	1.983	17	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:4:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<2>,1|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,3|H<1>,4|C<3>}	116.0173	1.061	6	116.0173	1.125	6	116.6710	2.108	16	116.6909	1.983	17	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:4:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]O[6]HH)2(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,2|O<2>,6|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]O[6]HH)2(H){1|C<4>,1|H<1>,2|C<3>}	114.6490	0.000	1	114.6490	0.000	1	116.6710	2.108	16	116.6909	1.983	17	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:4:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]S[6]HH)2(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,2|S<2>,6|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]S[6]HH)2(H){1|H<1>,3|C<3>}	116.0280	0.330	2	116.0280	0.109	2	116.6710	2.108	16	116.6909	1.983	17	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:4:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	117.5360	0.000	1	117.3493	0.037	3	116.6710	2.108	16	116.6909	1.983	17	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:4:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	117.2560	0.150	2	117.3493	0.037	3	116.6710	2.108	16	116.6909	1.983	17	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:4:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]N[6a]O)(C[6]C[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]N[6a]O)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	119.0465	1.176	2	119.0465	1.383	2	116.6710	2.108	16	116.6909	1.983	17	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:4:2:	C[5a,6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:C-2:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6]C[6]2C)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6])(C[6a]N[6a]H)	C[6](C[6a]C[5a,6a]N[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(CN)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6]C[6]2C)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[5a,6a]C[6])(C[6a]N[6a]H){1|C<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[5a,6a]N[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(CN){2|H<1>,5|C<3>}	114.1800	0.000	1	114.1800	0.000	1	114.1800	0.000	1	114.8330	0.769	5	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:4:2:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a](C[6a]C[6a]H)(C[6]C[6]2O)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]H)(C[6]C[6]2O)(N[6a]C[6a]){2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,3|H<1>,4|C<3>}	114.9963	0.920	4	114.9963	0.847	4	114.9963	0.847	4	114.8330	0.769	5	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:4:4:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6a](C[6a]C[6a]H)(C[6]C[6]2C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]N[6]HH)2(CH3)	C[6a](C[6a]C[6a]H)(C[6]C[6]2C)(N[6a]C[6a]){1|C<3>,2|N<3>,6|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]N[6a])(C[6]N[6]HH)2(CH3){1|Nb<4>,2|Si<4>,1|H<1>,2|C<3>}	115.4965	0.182	2	115.4965	0.033	2	115.4965	0.033	2	115.4965	0.033	2	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	3:4:2:	3:3:	4:3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6a]C[6a]N[6a])(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<4>,1|C<6>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6a]C[6a]N[6a])(C[6]C[6]C)(H){1|C<6>,1|H<1>,3|C<3>,4|B<6>}	117.1750	0.000	1	117.1750	0.000	1	117.1750	0.000	1	117.1750	0.000	1	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:2:2:	3:3:	3:3:3:1:	C[6]-4:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a](C[6]N[6]2H)(N[6a]C[6a])2	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)	C[6](C[6a]N[6a]2)(N[6]N[6]H)2(H)	C[6a](C[6]N[6]2H)(N[6a]C[6a])2{1|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6a]N[6a]2)(N[6]N[6]H)2(H){2|C<4>,3|C<3>}	116.2215	3.088	2	116.2215	9.535	2	116.2215	9.535	2	116.2215	9.535	2	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:2:3:	3:3:	3:3:3:1:	C[6]-4:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a](C[6]N[5,6]N[6]H)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	C[6a](C[6]N[5,6]N[6]H)(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<3>,6|C<3>}	114.4770	0.000	1	114.4770	0.000	1	114.4770	0.000	1	114.4770	0.000	1	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:2:2:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:S[6]-2:H-1:	C[6a](C[6]O[6]S[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(O[6]C[6])(S[6]C[6])(H)	C[6a](C[6]O[6]S[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(O[6]C[6])(S[6]C[6])(H){1|C<4>,2|C<3>,5|H<1>}	114.8980	0.000	1	114.8980	0.000	1	114.8980	0.000	1	114.8980	0.000	1	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:2:3:4:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-2:C[6]-3:C-4:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]C[6]H)(CH3)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,5|C<3>}	114.3410	0.000	1	114.3410	0.000	1	114.3410	0.000	1	114.3410	0.000	1	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:2:4:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HS)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HS)(H){1|H<1>,1|O<1>,4|C<3>}	114.6420	0.000	1	114.6420	0.000	1	114.1553	0.273	3	114.1553	0.273	3	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:2:4:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	113.9120	0.437	2	113.9120	0.191	2	114.1553	0.273	3	114.1553	0.273	3	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]N[6a])(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	116.1165	0.535	2	116.1165	0.287	2	117.0455	1.257	4	117.1931	2.677	18	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]C[6])2{4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]N[6a])(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	117.9745	0.180	2	117.9745	0.033	2	117.0455	1.257	4	117.1931	2.677	18	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]N[6a])(H)	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	114.4380	0.000	1	114.4380	0.000	1	114.4380	0.000	1	117.1931	2.677	18	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	117.9470	0.000	1	117.9470	0.000	1	118.2943	0.234	10	117.1931	2.677	18	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	118.1955	0.370	2	118.4180	0.207	8	118.2943	0.234	10	117.1931	2.677	18	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	118.0570	0.000	1	118.4180	0.207	8	118.2943	0.234	10	117.1931	2.677	18	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	118.8117	0.518	3	118.4180	0.207	8	118.2943	0.234	10	117.1931	2.677	18	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	118.1640	0.000	1	118.4180	0.207	8	118.2943	0.234	10	117.1931	2.677	18	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,3|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	118.2970	0.000	1	118.4180	0.207	8	118.2943	0.234	10	117.1931	2.677	18	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	117.6520	0.000	1	117.6520	0.000	1	118.2943	0.234	10	117.1931	2.677	18	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	114.7530	0.000	1	114.7530	0.000	1	114.7530	0.000	1	117.1931	2.677	18	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<2>,6|C<3>}	114.9070	0.000	1	114.9070	0.000	1	114.9070	0.000	1	117.1931	2.677	18	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a](C[6]N[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	C[6a](C[6]N[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){2|H<1>,6|C<3>}	114.2520	0.000	1	114.2520	0.000	1	114.2520	0.000	1	117.1931	2.677	18	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:3:3:2:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:O-2:	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(OC)	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(OC){1|Zn<4>,1|H<1>,1|N<3>,7|C<3>}	122.6360	0.000	1	122.6360	0.000	1	122.6360	0.000	1	122.6360	0.000	1	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:3:3:3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]H)2	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]H)2{1|C<4>,4|C<3>,7|H<1>}	115.0690	0.000	1	115.0690	0.000	1	116.1168	0.822	5	116.1168	0.822	5	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:3:3:3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])2(N[6]C[6]H)2	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6a]C[6a]N[6a])2(N[6]C[6]H)2{1|C<4>,4|C<3>,6|H<1>}	116.3787	0.799	4	116.3787	0.638	4	116.1168	0.822	5	116.1168	0.822	5	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:3:3:4:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]O)(CH3)	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]O)(CH3){1|C<4>,4|C<3>,4|H<1>}	115.6870	0.000	1	115.6870	0.000	1	115.6870	0.000	1	116.2477	3.736	3	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:3:3:4:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:N[6]-3:C-4:	C[6a](C[6]N[5,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3)	C[6a](C[6]N[5,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])2{1|C<3>,2|C<4>,2|H<1>,4|N<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3){1|H<1>,1|N<3>,6|C<3>}	118.3990	0.000	1	118.3990	0.000	1	118.3990	0.000	1	116.2477	3.736	3	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:3:3:4:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6a](C[6]N[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3)	C[6a](C[6]N[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3){1|H<1>,1|N<2>,6|C<3>}	114.6570	0.000	1	114.6570	0.000	1	114.6570	0.000	1	116.2477	3.736	3	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:3:4:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]S)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	114.6040	0.000	1	114.6040	0.000	1	114.6040	0.000	1	114.6040	0.000	1	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:4:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|Br<1>,1|H<1>,1|O<2>,4|C<3>}	117.4710	0.000	1	117.4710	0.000	1	116.5449	1.840	16	116.5449	1.840	16	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:4:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	113.9980	0.802	2	113.9980	0.643	2	116.5449	1.840	16	116.5449	1.840	16	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:4:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	117.3155	1.143	2	117.0596	0.579	8	116.5449	1.840	16	116.5449	1.840	16	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:4:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	117.7930	0.000	1	117.0596	0.579	8	116.5449	1.840	16	116.5449	1.840	16	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:4:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	116.8087	0.837	3	117.0596	0.579	8	116.5449	1.840	16	116.5449	1.840	16	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:4:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	117.2420	0.000	1	117.0596	0.579	8	116.5449	1.840	16	116.5449	1.840	16	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:4:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>,3|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	116.3850	0.000	1	117.0596	0.579	8	116.5449	1.840	16	116.5449	1.840	16	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:4:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]S[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	115.9780	0.314	4	115.9780	0.099	4	116.5449	1.840	16	116.5449	1.840	16	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:4:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	118.8630	0.000	1	118.8630	0.000	1	116.5449	1.840	16	116.5449	1.840	16	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:4:4:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,3|C<4>,5|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	113.6660	0.000	1	113.6660	0.000	1	113.6660	0.000	1	113.6660	0.000	1	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:4:4:4:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-4:C-4:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]C)(N[6]C[6]HH)(CH3)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]C)(N[6]C[6]HH)(CH3){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	115.5340	0.000	1	115.5340	0.000	1	115.5340	0.000	1	115.5340	0.000	1	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	4:3:2:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a](C[6]C[5,6,6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]N[6a])(O[6]C[6,6a])(H)	C[6a](C[6]C[5,6,6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]N[6a])(O[6]C[6,6a])(H){3|C<4>,3|H<1>,4|C<3>}	114.2900	0.000	1	114.2900	0.000	1	114.2900	0.000	1	114.2900	0.000	1	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	4:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){4|H<1>,6|C<3>}	115.2420	0.000	1	115.2420	0.000	1	115.2420	0.000	1	115.5947	0.723	25	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	4:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a]){2|H<1>,3|C<3>,3|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	116.2470	1.814	2	116.2470	3.292	2	115.6094	0.749	24	115.5947	0.723	25	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	4:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,3|C<3>,3|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	115.9295	0.586	2	115.9295	0.344	2	115.6094	0.749	24	115.5947	0.723	25	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	4:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[5,6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[5,6]C)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,4|H<1>}	114.9500	0.000	1	114.9500	0.000	1	115.6094	0.749	24	115.5947	0.723	25	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	4:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	114.8525	0.005	2	115.4033	0.478	17	115.6094	0.749	24	115.5947	0.723	25	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	4:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	115.1400	0.245	2	115.4033	0.478	17	115.6094	0.749	24	115.5947	0.723	25	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	4:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	116.5345	0.706	2	115.4033	0.478	17	115.6094	0.749	24	115.5947	0.723	25	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	4:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,3|C<3>,3|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	114.9480	0.024	2	115.4033	0.478	17	115.6094	0.749	24	115.5947	0.723	25	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	4:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,4|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	115.0590	0.000	1	115.4033	0.478	17	115.6094	0.749	24	115.5947	0.723	25	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	4:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,4|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	116.2250	0.597	2	115.4033	0.478	17	115.6094	0.749	24	115.5947	0.723	25	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	4:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>,3|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	115.2328	0.522	6	115.4033	0.478	17	115.6094	0.749	24	115.5947	0.723	25	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	4:3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,3|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	116.7335	1.119	2	116.7335	1.253	2	115.6094	0.749	24	115.5947	0.723	25	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	4:3:4:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]CH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]CH)(H){2|C<4>,2|H<1>,2|O<1>,5|C<3>}	116.8130	0.000	1	116.8130	0.000	1	117.1449	0.313	8	117.1449	0.313	8	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	4:3:4:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	117.0863	0.922	3	117.0863	0.850	3	117.1449	0.313	8	117.1449	0.313	8	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	4:3:4:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	117.5320	0.000	1	117.5320	0.000	1	117.1449	0.313	8	117.1449	0.313	8	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	4:3:4:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	117.3740	0.065	2	117.1850	0.109	3	117.1449	0.313	8	117.1449	0.313	8	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	4:3:4:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<1>,5|C<3>}	116.8070	0.000	1	117.1850	0.109	3	117.1449	0.313	8	117.1449	0.313	8	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	4:4:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>,7|C<3>}	117.8633	0.516	3	116.7985	4.713	4	116.3230	4.408	8	116.3230	4.408	8	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	4:4:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){2|C<4>,2|H<1>,3|O<1>,7|C<3>}	113.6040	0.000	1	116.7985	4.713	4	116.3230	4.408	8	116.3230	4.408	8	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	4:4:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>,7|C<3>}	117.4940	0.000	1	117.4940	0.000	1	116.3230	4.408	8	116.3230	4.408	8	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	4:4:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>,7|C<3>}	113.9520	0.641	2	115.2987	5.646	3	116.3230	4.408	8	116.3230	4.408	8	116.3338	2.587	147	116.7302	5.087	395
643	371	466	0:SP2_SP2_SP3	C[6a]	N[6a]	C[6]	4:3:2:	3:3:	4:4:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){2|C<4>,2|H<1>,3|O<1>,7|C<3>}	117.9920	0.000	1	115.2987	5.646	3	116.3230	4.408	8	116.3230	4.408	8	116.3338	2.587	147	116.7302	5.087	395
643	371	474	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[5,6,6]	4:3:2:	3:3:	4:3:4:1:	C[5,6,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]N[6a]N)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]CC)(H)	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>,6|C<4>}	N[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]N[6a]N){1|C<3>,1|H<1>,3|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]CC)(H){2|C<3>,4|C<4>,5|H<1>}	114.9570	0.000	1	114.9570	0.000	1	114.9570	0.000	1	114.9570	0.000	1	114.9570	0.000	1	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[5,6]	4:3:2:	3:3:	3:4:2:1:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	115.2950	1.006	2	115.2950	1.011	2	115.1448	0.464	4	115.1448	0.464	4	115.8449	1.384	8	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[5,6]	4:3:2:	3:3:	3:4:2:1:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C[6])	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	114.9945	0.538	2	114.9945	0.290	2	115.1448	0.464	4	115.1448	0.464	4	115.8449	1.384	8	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[5,6]	4:3:2:	3:3:	3:4:2:4:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6])	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6]){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	115.6010	0.260	2	115.6010	0.068	2	115.6010	0.068	2	115.6010	0.068	2	115.8449	1.384	8	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[5,6]	4:3:2:	3:3:	4:3:4:1:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6]){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|N<3>,6|C<3>}	118.1000	0.000	1	118.1000	0.000	1	118.1000	0.000	1	118.1000	0.000	1	115.8449	1.384	8	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6,6a]	N[6a]	C[5,6]	4:3:2:	3:3:	4:4:3:1:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	N[5,6,6]-4:C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[5,6]N[5,6,6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)	C[5,6](N[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[5,6]N[5,6,6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(N[6a]C[6a]){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[5,6](N[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]N[6a])(H){2|C<3>,4|C<4>,6|H<1>}	116.8780	0.000	1	116.8780	0.000	1	116.8780	0.000	1	116.8780	0.000	1	115.8449	1.384	8	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5,5,6]	4:2:3:	3:3:	3:4:2:3:	C[5,5,6]-4:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5,6]-4:S[5,5]-2:N[5,6]-3:	C[6a](C[5,5,6]C[5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,5,6]C[6a])	C[5,5,6](C[6a]C[6a]N[6a])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(N[5,6]C[5,6]H)	C[6a](C[5,5,6]C[5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,5,6]C[6a]){1|C<4>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5,5,6](C[6a]C[6a]N[6a])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(N[5,6]C[5,6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	115.6357	0.790	3	115.6357	0.625	3	115.9021	0.597	7	115.9021	0.597	7	115.7849	0.622	8	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5,5,6]	4:2:3:	3:3:	3:4:2:3:	C[5,5,6]-4:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5,6]-4:S[5,5]-2:N[5,6]-3:	C[6a](C[5,5,6]C[5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,5,6]C[6a])	C[5,5,6](C[6a]C[6a]N[6a])(C[5,6]C[5,6]HN)(S[5,5]C[5,5,6])(N[5,6]C[5,6]H)	C[6a](C[5,5,6]C[5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,5,6]C[6a]){1|C<4>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5,5,6](C[6a]C[6a]N[6a])(C[5,6]C[5,6]HN)(S[5,5]C[5,5,6])(N[5,6]C[5,6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	116.1020	0.809	4	116.1020	0.654	4	115.9021	0.597	7	115.9021	0.597	7	115.7849	0.622	8	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5,5,6]	4:2:3:	3:3:	4:3:2:3:	C[5,5,6]-4:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:S[5,5]-2:N[5,6]-3:	C[6a](C[5,5,6]C[5,5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,5,6]C[6a])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6a]C[6a]N[6a])(S[5,5]C[5,5,6])(N[5,6]C[5,6]H)	C[6a](C[5,5,6]C[5,5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,5,6]C[6a]){1|C<4>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6a]C[6a]N[6a])(S[5,5]C[5,5,6])(N[5,6]C[5,6]H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	114.9640	0.000	1	114.9640	0.000	1	114.9640	0.000	1	114.9640	0.000	1	115.7849	0.622	8	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5,5]	4:3:2:	3:3:	3:3:4:2:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5,5]-3:C[5]-4:N[5]-2:	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(N[5]N[5])	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(N[5]N[5]){1|H<1>,1|O<1>,4|C<3>}	115.0700	0.000	1	115.0700	0.000	1	115.0700	0.000	1	114.1606	0.589	5	114.5598	0.489	12	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5,5]	4:3:2:	3:3:	3:3:4:2:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,5]C[6a])2	C[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>,4|C<4>}	N[6a](C[6a]C[5,5]C[6a])2{1|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<2>}	C[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,3|C<3>,6|H<1>}	113.9333	0.664	4	113.9333	0.441	4	113.9333	0.441	4	114.1606	0.589	5	114.5598	0.489	12	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5,5]	4:3:2:	3:3:	3:4:3:2:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5,6]-4:C[6a]-3:O[5]-2:	C[6a](C[5,5]C[5,5,6]C[5,6a]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(O[5]C[5])	C[6a](C[5,5]C[5,5,6]C[5,6a]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(O[5]C[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	113.9770	0.000	1	113.9770	0.000	1	113.9770	0.000	1	114.8123	0.336	4	114.5598	0.489	12	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5,5]	4:3:2:	3:3:	3:4:3:2:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5,5]-4:C[5]-3:N[5]-2:	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)	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[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|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>}	115.0907	0.199	3	115.0907	0.040	3	115.0907	0.040	3	114.8123	0.336	4	114.5598	0.489	12	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5,5]	4:3:2:	3:3:	3:4:4:2:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5,5]-4:C[5]-4:O[5]-2:	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|C<4>,5|H<1>}	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	114.2470	0.000	1	114.2470	0.000	1	114.2470	0.000	1	114.2470	0.000	1	114.5598	0.489	12	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5,5]	4:3:2:	3:3:	4:3:4:2:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5]-4:O[5]-2:	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|C<4>,5|H<1>}	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	115.2980	0.000	1	115.2980	0.000	1	115.2095	0.016	2	115.2095	0.016	2	114.5598	0.489	12	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5,5]	4:3:2:	3:3:	4:3:4:2:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5]-4:O[5]-2:	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,4|C<3>,4|H<1>}	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5]){1|C<2>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	115.1210	0.000	1	115.1210	0.000	1	115.2095	0.016	2	115.2095	0.016	2	114.5598	0.489	12	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5,6]	4:3:2:	3:3:	3:3:3:2:	C[5,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6a]-3:O[5,6]-2:	C[6a](C[5,6]C[5,6a]C[6,6a]O[5,6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(O[5,6]C[5,6])	C[6a](C[5,6]C[5,6a]C[6,6a]O[5,6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(O[5,6]C[5,6]){1|O<2>,3|H<1>,7|C<3>}	114.5090	0.000	1	114.5090	0.000	1	114.5090	0.000	1	114.5090	0.000	1	116.0601	3.278	7	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5,6]	4:3:2:	3:3:	3:3:3:3:	C[5,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5,6]-3:C[5]-3:C[6]-3:	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,3|H<1>,5|C<3>}	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){4|C<3>,4|H<1>}	114.8970	0.000	1	114.8970	0.000	1	114.8970	0.000	1	114.8970	0.000	1	116.0601	3.278	7	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5,6]	4:3:2:	3:3:	3:3:4:4:	C[5,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5,6]-3:C[5]-4:C[6]-4:	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|C<4>,5|H<1>}	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	113.7510	0.000	1	113.7510	0.000	1	113.7510	0.000	1	113.7510	0.000	1	116.0601	3.278	7	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5,6]	4:3:2:	3:3:	4:3:3:2:	C[5,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[6]-3:O[5]-2:	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]N[6a])(N[6]N[6]H)(O[5]C[5])	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]N[6a])(N[6]N[6]H)(O[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	116.7650	1.728	2	116.7650	2.987	2	116.7650	2.987	2	116.7650	2.987	2	116.0601	3.278	7	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5,6]	4:3:2:	3:3:	4:3:4:1:	C[5,6]-4:C[6a,6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[5,6])(C[6a]C[6a]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){3|C<4>,4|C<3>,4|H<1>}	N[6a](C[6a]C[6a,6a]C[5,6])(C[6a]C[6a]C){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	118.0510	0.000	1	117.8670	0.068	2	117.8670	0.068	2	117.8670	0.068	2	116.0601	3.278	7	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5,6]	4:3:2:	3:3:	4:3:4:1:	C[5,6]-4:C[6a,6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[5,6])(C[6a]C[6a]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){3|C<4>,4|C<3>,4|H<1>}	N[6a](C[6a]C[6a,6a]C[5,6])(C[6a]C[6a]C){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	117.6830	0.000	1	117.8670	0.068	2	117.8670	0.068	2	117.8670	0.068	2	116.0601	3.278	7	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	2:3:4:	3:3:	3:4:4:1:	N[6a]-2:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]O[5]HH)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]O[5]HH)(H){1|H<1>,5|C<3>}	116.7320	0.000	1	116.7320	0.000	1	116.7320	0.000	1	116.7320	0.000	1	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	3:4:2:	3:3:	3:3:3:1:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C[6a])(N[5]C[5,5]H)(H)	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C[6a])(N[5]C[5,5]H)(H){1|H<1>,8|C<3>}	114.6270	0.000	1	114.6270	0.000	1	115.2618	0.539	4	115.2618	0.539	4	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	3:4:2:	3:3:	3:3:3:1:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)2(H)	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)2(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	114.7030	0.000	1	114.7030	0.000	1	115.2618	0.539	4	115.2618	0.539	4	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	3:4:2:	3:3:	3:3:3:1:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])2	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a]){1|C<3>,2|H<1>,4|C<4>}	N[6a](C[6a]C[6a]C[5])2{1|C<3>,4|H<1>,4|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,2|C<3>,4|H<1>}	115.8585	0.436	2	115.8585	0.190	2	115.2618	0.539	4	115.2618	0.539	4	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	3:4:2:	3:3:	3:3:3:4:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:C-4:	C[6a](C[6a]C[6a]H)(C[5]N[5]2C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5]O)(CH3)	C[6a](C[6a]C[6a]H)(C[5]N[5]2C)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5]O)(CH3){1|O<1>,2|C<3>,3|H<1>}	113.8110	0.000	1	113.8110	0.000	1	113.8110	0.000	1	113.8110	0.000	1	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	3:4:2:	3:3:	3:4:2:1:	C[5a,6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]C)	C[5](C[6a]C[5a,6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(N[6a]C[6a]){2|H<1>,7|C<3>}	N[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[5a,6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H){1|N<3>,1|O<1>,5|C<3>}	115.4170	0.000	1	115.4170	0.000	1	115.4170	0.000	1	116.6592	1.399	5	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	3:4:2:	3:3:	3:4:2:1:	C[6a,6a]-3:C[5]-4:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5,5]-4:O[5]-2:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]O[5]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5])	C[5](C[6a]C[6a,6a]N[6a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]O[5]H)(N[6a]C[6a,6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]N[6a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	117.6550	0.018	2	117.6550	0.000	2	117.6550	0.000	2	116.6592	1.399	5	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	3:4:2:	3:3:	3:4:2:1:	C[6a,6a]-3:C[5]-4:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5])	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(N[6a]C[6a,6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|H<1>,2|O<2>,3|C<3>}	116.2845	1.337	2	116.2845	1.788	2	116.2845	1.788	2	116.6592	1.399	5	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	3:4:2:	3:3:	3:4:3:1:	C[5a,6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]2H)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]C)	C[5](C[6a]C[5a,6a]N[6a])(C[5]N[5]CH)(C[5]C[5]C)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]2H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	N[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[5a,6a]N[6a])(C[5]N[5]CH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	114.6880	0.000	1	114.6880	0.000	1	114.6880	0.000	1	115.6055	1.684	2	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	3:4:2:	3:3:	3:4:3:1:	C[6a,6a]-3:C[5]-4:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5])	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(N[6a]C[6a,6a]){2|C<4>,3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<3>}	116.5230	0.000	1	116.5230	0.000	1	116.5230	0.000	1	115.6055	1.684	2	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	3:4:2:	3:3:	3:4:4:1:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:F-1:	C[6a](C[6a]C[6a]H)(C[5]C[5]2F)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]N[5]CH)(F)	C[6a](C[6a]C[6a]H)(C[5]C[5]2F)(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]N[5]CH)(F){3|C<3>,3|H<1>}	115.5150	0.000	1	115.5150	0.000	1	115.5150	0.000	1	115.5150	0.000	1	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	3:4:2:	3:3:	3:4:4:2:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5,5]HH)2(OH)	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a]){1|C<3>,2|C<4>,6|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5,5]HH)2(OH){2|C<3>,2|C<4>,3|H<1>}	115.8075	0.954	6	115.8075	0.909	6	115.7499	0.724	8	115.7499	0.724	8	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	3:4:2:	3:3:	3:4:4:2:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)2(OH)	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)2(OH){1|N<3>,3|C<3>,3|H<1>}	115.1060	0.000	1	115.1060	0.000	1	115.7499	0.724	8	115.7499	0.724	8	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	3:4:2:	3:3:	3:4:4:2:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C[6]H)(C[5]C[5]CH)(OH)	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C[6]H)(C[5]C[5]CH)(OH){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	116.0480	0.000	1	116.0480	0.000	1	115.7499	0.724	8	115.7499	0.724	8	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	3:4:2:	3:3:	4:3:3:1:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)(C[5]C[5]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]N[6a])(C[5]C[5,6]N)(H)	C[6a](C[6a]C[6a]H)(C[5]C[5]2H)(N[6a]C[6a]){2|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]N[6a])(C[5]C[5,6]N)(H){1|H<1>,1|N<2>,5|C<3>}	116.4190	0.000	1	116.4190	0.000	1	116.4190	0.000	1	116.4190	0.000	1	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:2:2:	3:3:	3:3:3:3:	C[5]-4:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5]C[5,6a]2C[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[5]C[5,6a]2C[6a])(N[6a]C[6a])2{1|N<2>,8|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[5]){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(C[6a]N[6a]2){4|H<1>,8|C<3>}	117.1232	0.831	4	117.1232	0.691	4	117.1232	0.691	4	117.1232	0.691	4	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:2:3:	3:3:	3:4:2:1:	C[5]-4:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a](C[5]C[5]O[5]H)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]N[5])(H){2|H<1>,4|C<3>}	113.3990	0.000	1	113.3990	0.000	1	113.3990	0.000	1	113.3990	0.000	1	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:2:3:	3:3:	3:4:3:1:	C[5]-4:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a](C[5]C[5]N[5]H)(N[6a]C[6a,6a])(C[6a]N[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(H)	C[6a](C[5]C[5]N[5]H)(N[6a]C[6a,6a])(C[6a]N[6a]N){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(H){1|N<2>,1|N<3>,6|C<3>}	118.2470	0.000	1	118.2470	0.000	1	118.2470	0.000	1	118.2470	0.000	1	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:2:3:	3:3:	4:4:3:1:	C[5]-4:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a](C[5]C[5,5]C[5]H)(N[6a]C[6a,6a])(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]N[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(N[6a]C[6a,6a])(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5]){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]N[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,7|C<3>}	118.4750	0.000	1	118.4750	0.000	1	118.4750	0.000	1	118.4750	0.000	1	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:3:2:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(S[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	116.5070	0.000	1	116.5070	0.000	1	116.5070	0.000	1	116.5070	0.000	1	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:N[5]-3:H-1:	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(N[5]C[5]C)(H)	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(N[5]C[5]C)(H){4|C<3>,4|H<1>}	113.5370	0.000	1	113.5370	0.000	1	113.5370	0.000	1	113.5370	0.000	1	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:3:3:2:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]H)(OH)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]H)(OH){1|Os<6>,2|H<1>,4|C<3>}	115.2915	0.497	2	115.2915	0.247	2	114.8120	0.813	3	114.8120	0.813	3	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:3:3:2:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]Ru)(OH)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|Ru<6>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]Ru)(OH){3|H<1>,4|C<3>}	113.8530	0.000	1	113.8530	0.000	1	114.8120	0.813	3	114.8120	0.813	3	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:3:3:3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]N[6a])2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]N[6a])2{4|H<1>,8|C<3>}	115.2460	1.704	2	115.2460	2.904	2	115.2460	2.904	2	116.1148	2.185	4	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:3:3:3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,6]C[6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]Au)	C[6a](C[5]N[5,6]C[6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Au<2>,1|C<4>,1|H<1>,6|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]Au){1|C<4>,3|H<1>,7|C<3>}	116.4210	0.000	1	116.9835	0.633	2	116.9835	0.633	2	116.1148	2.185	4	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:3:3:3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,6]C[6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]Au)	C[6a](C[5]N[5,6]C[6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Au<2>,1|C<4>,1|H<1>,6|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]Au){2|C<4>,3|H<1>,6|C<3>}	117.5460	0.000	1	116.9835	0.633	2	116.9835	0.633	2	116.1148	2.185	4	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:3:3:4:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH){1|Br<1>,2|H<1>,4|C<3>}	115.3055	1.750	2	115.3055	3.063	2	115.3055	3.063	2	114.9527	1.905	3	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:3:3:4:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(C[5]N[5]O)(N[5]C[5]H)(CH3)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]N[5]O)(N[5]C[5]H)(CH3){1|O<1>,2|C<3>,2|H<1>}	114.2470	0.000	1	114.2470	0.000	1	114.2470	0.000	1	114.9527	1.905	3	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:3:4:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	115.8590	0.000	1	115.8590	0.000	1	115.8590	0.000	1	116.0670	1.801	3	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:3:4:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	117.5010	0.000	1	116.1710	3.538	2	116.1710	3.538	2	116.0670	1.801	3	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:3:4:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	114.8410	0.000	1	116.1710	3.538	2	116.1710	3.538	2	116.0670	1.801	3	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:3:4:2:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-4:O-2:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C)(C[5]C[5]HH)(OH)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C)(C[5]C[5]HH)(OH){2|H<1>,5|C<3>}	114.2300	0.000	1	114.2300	0.000	1	114.2300	0.000	1	114.2300	0.000	1	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:3:4:3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]2H)(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]2H)(C[5]N[5]O){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	115.2270	0.000	1	115.2270	0.000	1	115.2270	0.000	1	115.2270	0.000	1	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:4:2:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5])(H){1|H<1>,1|N<2>,5|C<3>}	114.1160	0.000	1	114.1160	0.000	1	114.1160	0.000	1	115.6103	2.180	8	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:4:2:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	118.5910	0.000	1	118.5910	0.000	1	115.8075	2.539	6	115.6103	2.180	8	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:4:2:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	116.2690	0.000	1	115.4183	1.289	3	115.8075	2.539	6	115.6103	2.180	8	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:4:2:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	115.8570	0.000	1	115.4183	1.289	3	115.8075	2.539	6	115.6103	2.180	8	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:4:2:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	114.1290	0.000	1	115.4183	1.289	3	115.8075	2.539	6	115.6103	2.180	8	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:4:2:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]C)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]C)(O[5]C[5])(H){2|H<1>,4|C<3>}	114.4470	0.000	1	114.4470	0.000	1	115.8075	2.539	6	115.6103	2.180	8	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:4:2:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	115.5520	0.000	1	115.5520	0.000	1	115.8075	2.539	6	115.6103	2.180	8	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:4:2:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:P[5]-4:O[5]-2:H-1:	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(P[5]C[5,6a]CO)(O[5]C[5,6a])(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(P[5]C[5,6a]CO)(O[5]C[5,6a])(H){1|H<1>,4|C<3>}	115.9210	0.000	1	115.9210	0.000	1	115.9210	0.000	1	115.6103	2.180	8	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:4:2:4:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(C[5]O[5]HH)(N[5]C[5])(CH3)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]O[5]HH)(N[5]C[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	114.7330	0.000	1	114.7330	0.000	1	114.7330	0.000	1	114.7330	0.000	1	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:4:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H){1|C<4>,3|C<3>,3|H<1>}	117.1520	0.000	1	116.8965	0.131	2	116.5098	0.416	6	116.5098	0.416	6	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:4:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H){1|S<4>,2|C<3>,4|H<1>}	116.6410	0.000	1	116.8965	0.131	2	116.5098	0.416	6	116.5098	0.416	6	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:4:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,3|C<3>}	115.5080	0.000	1	115.5080	0.000	1	116.5098	0.416	6	116.5098	0.416	6	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:4:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|N<2>,4|C<3>}	116.1700	0.000	1	116.1700	0.000	1	116.5098	0.416	6	116.5098	0.416	6	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:4:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]Cu)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<4>,1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]Cu)(H){1|N<2>,2|H<1>,4|C<3>}	117.2230	0.000	1	117.2230	0.000	1	116.5098	0.416	6	116.5098	0.416	6	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:4:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]H)(H){1|Cu<4>,1|H<1>,1|N<2>,4|C<3>}	116.3650	0.000	1	116.3650	0.000	1	116.5098	0.416	6	116.5098	0.416	6	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:4:4:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5]H)(N[5]C[5]FeC)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Fe<6>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5]H)(N[5]C[5]FeC)(H){1|N<3>,2|H<1>,5|C<3>}	118.1430	0.000	1	118.1430	0.000	1	117.8105	0.221	2	117.8105	0.221	2	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:4:4:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])2	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,3|C<4>,5|H<1>}	N[6a](C[6a]C[6a]C[5])2{1|C<3>,2|C<4>,2|N<4>,4|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]C[5]HH)(H){2|C<3>,5|H<1>}	117.4780	0.000	1	117.4780	0.000	1	117.8105	0.221	2	117.8105	0.221	2	115.8903	1.727	66	115.7244	1.693	102
643	371	474	0:SP2_SP2_SP3	C[6a]	N[6a]	C[5]	4:3:2:	3:3:	4:3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]N[6a])(N[5]C[5]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]N[6a])(N[5]C[5]H)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	115.1820	0.280	2	115.1820	0.078	2	115.1820	0.078	2	115.1820	0.078	2	115.8903	1.727	66	115.7244	1.693	102
643	371	478	0:SP2_SP2_SP3	C[6a]	N[6a]	C[3x4,3x6]	4:3:2:	3:3:	4:4:4:3:	C[3x4,3x6]-4:C[6a,6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[3x4,3x6]-4:C[3x4,3x6]-4:C[3x4,3x6]-4:C[6a]-3:	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[3x4,3x6]C[6a,6a])(C[6a]C[6a]H)	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2C)(C[3x4,3x6]C[3x4,3x6]2H)2(C[6a]C[6a,6a]N[6a])	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){3|C<4>,4|C<3>,4|H<1>}	N[6a](C[6a]C[3x4,3x6]C[6a,6a])(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[3x4,3x6](C[3x4,3x6]C[3x4,3x6]2C)(C[3x4,3x6]C[3x4,3x6]2H)2(C[6a]C[6a,6a]N[6a]){1|C<4>,2|H<1>,4|C<3>}	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	116.5800	3.721	23
643	371	478	0:SP2_SP2_SP3	C[6a]	N[6a]	C[4,4]	4:3:2:	3:3:	3:3:3:4:	C[4,4]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	Ge[4,4]-3:Ge[4,4]-3:C[6a]-3:P[4]-4:	C[6a](C[4,4]Ge[4,4]2P[4])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[4,4]C[6a])(C[6a]C[6a]H)	C[4,4](Ge[4,4]C[4,4]N[4])2(C[6a]C[6a]N[6a])(P[4]N[4]CC)	C[6a](C[4,4]Ge[4,4]2P[4])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>,2|N<3>,3|C<4>}	N[6a](C[6a]C[4,4]C[6a])(C[6a]C[6a]H){2|Ge<3>,1|C<3>,1|P<4>,2|H<1>}	C[4,4](Ge[4,4]C[4,4]N[4])2(C[6a]C[6a]N[6a])(P[4]N[4]CC){2|Si<4>,1|H<1>,1|P<4>,3|C<3>}	118.0635	0.678	2	118.0635	0.460	2	118.0635	0.460	2	118.0635	0.460	2	118.0635	0.460	2	116.5800	3.721	23
643	371	478	0:SP2_SP2_SP3	C[6a]	N[6a]	C[4,5]	4:3:2:	3:3:	4:3:4:2:	C[4,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[5]-4:O[4]-2:	C[6a](C[4,5]C[4,5]C[5]O[4])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[4]C[4])	C[6a](C[4,5]C[4,5]C[5]O[4])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[4]C[4]){1|O<1>,3|H<1>,4|C<3>}	114.1100	0.000	1	114.1100	0.000	1	114.1100	0.000	1	114.1100	0.000	1	114.1100	0.000	1	116.5800	3.721	23
643	371	478	0:SP2_SP2_SP3	C[6a]	N[6a]	C[4,6,6]	4:3:2:	3:3:	3:3:3:4:	C[4,6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	Ge[3x6]-3:Ge[4,6,6]-3:C[6a]-3:P[4]-4:	C[6a](C[4,6,6]Ge[4,6,6]Ge[3x6]P[4])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[4,6,6]C[6a])(C[6a]C[6a]C)	C[4,6,6](Ge[3x6]N[3x6]N[6,6])(Ge[4,6,6]C[3x6]N[4])(C[6a]C[6a]N[6a])(P[4]N[4]CC)	C[6a](C[4,6,6]Ge[4,6,6]Ge[3x6]P[4])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,3|N<3>,4|C<4>}	N[6a](C[6a]C[4,6,6]C[6a])(C[6a]C[6a]C){2|Ge<3>,1|C<3>,1|P<4>,2|H<1>}	C[4,6,6](Ge[3x6]N[3x6]N[6,6])(Ge[4,6,6]C[3x6]N[4])(C[6a]C[6a]N[6a])(P[4]N[4]CC){2|Si<4>,1|P<4>,2|H<1>,4|C<3>}	117.2880	0.000	1	117.2880	0.000	1	117.2880	0.000	1	117.2880	0.000	1	117.2880	0.000	1	116.5800	3.721	23
643	371	478	0:SP2_SP2_SP3	C[6a]	N[6a]	C[4]	3:4:2:	3:3:	3:4:4:1:	C[6a]-3:C[4]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a](C[6a]C[6a]H)(C[4]C[4]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]H)(C[4]C[4]C[6]H)(H)	C[6a](C[6a]C[6a]H)(C[4]C[4]2H)(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]H)(C[4]C[4]C[6]H)(H){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	114.2820	0.156	2	114.2820	0.024	2	116.2551	2.357	8	116.2551	2.357	8	116.5854	4.041	18	116.5800	3.721	23
643	371	478	0:SP2_SP2_SP3	C[6a]	N[6a]	C[4]	3:4:2:	3:3:	3:4:4:1:	C[6a]-3:C[4]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a](C[6a]C[6a]H)(C[4]C[4]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]H)2(H)	C[6a](C[6a]C[6a]H)(C[4]C[4]2H)(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]H)2(H){2|H<1>,2|N<2>,5|C<3>}	117.4297	0.550	4	116.9128	1.218	6	116.2551	2.357	8	116.2551	2.357	8	116.5854	4.041	18	116.5800	3.721	23
643	371	478	0:SP2_SP2_SP3	C[6a]	N[6a]	C[4]	3:4:2:	3:3:	3:4:4:1:	C[6a]-3:C[4]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a](C[6a]C[6a]H)(C[4]C[4]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]H)2(H)	C[6a](C[6a]C[6a]H)(C[4]C[4]2H)(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]H)2(H){2|H<1>,7|C<3>}	115.8790	1.406	2	116.9128	1.218	6	116.2551	2.357	8	116.2551	2.357	8	116.5854	4.041	18	116.5800	3.721	23
643	371	478	0:SP2_SP2_SP3	C[6a]	N[6a]	C[4]	3:4:2:	3:3:	3:4:4:4:	C[6a]-3:C[4]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:C[4]-4:C-4:	C[6a](C[6a]C[6a]H)(C[4]C[4]2C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]C)(C[4]C[4]CH)(CCHH)	C[6a](C[6a]C[6a]H)(C[4]C[4]2C)(N[6a]C[6a]){2|C<3>,3|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]C)(C[4]C[4]CH)(CCHH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	120.1425	0.135	2	120.1425	0.018	2	120.1425	0.018	2	120.1425	0.018	2	116.5854	4.041	18	116.5800	3.721	23
643	371	478	0:SP2_SP2_SP3	C[6a]	N[6a]	C[4]	4:3:2:	3:3:	3:3:4:3:	C[4]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[4]-3:C[4]-4:C-3:	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[4](C[6a]C[6a]N[6a])(N[4]C[6a]C[4])(C[4]C[4]CH)(CNO)	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[4](C[6a]C[6a]N[6a])(N[4]C[6a]C[4])(C[4]C[4]CH)(CNO){1|H<1>,1|O<1>,4|C<3>}	115.5780	0.000	1	115.5780	0.000	1	115.5780	0.000	1	115.5780	0.000	1	116.5854	4.041	18	116.5800	3.721	23
643	371	478	0:SP2_SP2_SP3	C[6a]	N[6a]	C[4]	4:3:2:	3:3:	3:4:2:1:	C[4]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:O[4]-2:H-1:	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Br)	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]C)(O[4]C[4])(H)	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Br){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]C)(O[4]C[4])(H){1|H<1>,1|O<1>,4|C<3>}	116.7620	0.000	1	116.7620	0.000	1	114.4537	4.243	3	114.4537	4.243	3	116.5854	4.041	18	116.5800	3.721	23
643	371	478	0:SP2_SP2_SP3	C[6a]	N[6a]	C[4]	4:3:2:	3:3:	3:4:2:1:	C[4]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:O[4]-2:H-1:	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]C)(O[4]C[4])(H)	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]C)(O[4]C[4])(H){1|H<1>,1|O<1>,4|C<3>}	113.2995	0.702	2	113.2995	0.493	2	114.4537	4.243	3	114.4537	4.243	3	116.5854	4.041	18	116.5800	3.721	23
643	371	478	0:SP2_SP2_SP3	C[6a]	N[6a]	C[4]	4:3:2:	3:3:	4:4:3:1:	C[4]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[4,6]-4:C[4]-4:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[4](C[4,6]C[4,6]C[6]F)(C[4]C[4,6]C[6a]H)(C[6a]C[6a]N[6a])(H)	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|F<1>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[4](C[4,6]C[4,6]C[6]F)(C[4]C[4,6]C[6a]H)(C[6a]C[6a]N[6a])(H){1|N<2>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	117.1775	0.016	2	117.1775	0.000	2	117.3183	0.242	4	117.3183	0.242	4	116.5854	4.041	18	116.5800	3.721	23
643	371	478	0:SP2_SP2_SP3	C[6a]	N[6a]	C[4]	4:3:2:	3:3:	4:4:3:1:	C[4]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[4,6]-4:C[4]-4:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[4](C[4,6]C[4,6]N[6]H)(C[4]C[4,6]C[6a]H)(C[6a]C[6a]N[6a])(H)	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[4](C[4,6]C[4,6]N[6]H)(C[4]C[4,6]C[6a]H)(C[6a]C[6a]N[6a])(H){1|F<1>,1|N<2>,2|H<1>,5|C<3>}	117.4590	0.805	2	117.4590	0.648	2	117.3183	0.242	4	117.3183	0.242	4	116.5854	4.041	18	116.5800	3.721	23
643	371	486	0:SP2_SP2_SP3	C[6a]	N[6a]	C[3]	2:3:4:	3:3:	3:4:4:1:	N[6a]-2:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(C[3]C[3]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(C[3]C[3]2H){3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3]){2|H<1>,3|C<3>,3|C<4>}	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H){1|C<4>,2|C<3>}	117.1045	0.709	2	117.1045	0.503	2	117.5063	0.736	3	117.5063	0.736	3	116.8821	2.565	25	116.8821	2.565	25
643	371	486	0:SP2_SP2_SP3	C[6a]	N[6a]	C[3]	2:3:4:	3:3:	3:4:4:1:	N[6a]-2:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3]){2|C<4>,3|C<3>,3|H<1>}	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H){1|H<1>,2|C<3>}	118.3100	0.000	1	118.3100	0.000	1	117.5063	0.736	3	117.5063	0.736	3	116.8821	2.565	25	116.8821	2.565	25
643	371	486	0:SP2_SP2_SP3	C[6a]	N[6a]	C[3]	2:3:4:	3:3:	3:4:4:2:	N[6a]-2:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:C[3]-4:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2C){3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3]){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC){1|H<1>,4|C<3>}	117.1280	0.000	1	117.1280	0.000	1	117.1280	0.000	1	117.1280	0.000	1	116.8821	2.565	25	116.8821	2.565	25
643	371	486	0:SP2_SP2_SP3	C[6a]	N[6a]	C[3]	2:4:2:	3:3:	3:4:4:1:	N[6a]-2:C[3]-4:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a](N[6a]C[6a,6a])(C[3]C[3]2H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]C[3])	C[3](C[6a]N[6a]2)(C[3]C[3]HH)2(H)	C[6a](N[6a]C[6a,6a])(C[3]C[3]2H)(N[6a]C[6a]){2|C<3>,5|H<1>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]C[3]){1|H<1>,2|C<4>,4|C<3>}	C[3](C[6a]N[6a]2)(C[3]C[3]HH)2(H){2|C<3>}	116.0250	0.000	1	116.0250	0.000	1	116.0250	0.000	1	116.9090	1.563	2	116.8821	2.565	25	116.8821	2.565	25
643	371	486	0:SP2_SP2_SP3	C[6a]	N[6a]	C[3]	2:4:2:	3:3:	3:4:4:1:	N[6a]-2:C[3]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a](N[6a]C[6a,6a])(C[3]C[3]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[3])	C[3](C[6a]N[6a]2)(C[3]C[3]HH)2(H)	C[6a](N[6a]C[6a,6a])(C[3]C[3]2H)(N[6a]C[6a]){2|C<3>,5|H<1>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[3]){1|H<1>,2|C<3>,2|C<4>}	C[3](C[6a]N[6a]2)(C[3]C[3]HH)2(H){2|C<3>}	117.7930	0.000	1	117.7930	0.000	1	117.7930	0.000	1	116.9090	1.563	2	116.8821	2.565	25	116.8821	2.565	25
643	371	486	0:SP2_SP2_SP3	C[6a]	N[6a]	C[3]	3:2:4:	3:3:	3:4:4:1:	C[5a,6a]-3:N[6a]-2:C[3]-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[3]C[3]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[3])	C[3](C[6a]C[5a,6a]N[6a])(C[3]C[3]HH)2(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[3]C[3]2H){1|O<2>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[3]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[3](C[6a]C[5a,6a]N[6a])(C[3]C[3]HH)2(H){1|N<2>,2|C<3>}	119.9870	0.000	1	119.9870	0.000	1	119.9870	0.000	1	119.9870	0.000	1	116.8821	2.565	25	116.8821	2.565	25
643	371	486	0:SP2_SP2_SP3	C[6a]	N[6a]	C[3]	3:4:2:	3:3:	3:4:4:1:	C[5a,6a]-3:C[3]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[3])(C[6a]N[6a]H)	C[3](C[6a]C[5a,6a]N[6a])(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	N[6a](C[6a]C[5a,6a]C[3])(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[3](C[6a]C[5a,6a]N[6a])(C[3]C[3]CH)(C[3]C[3]HH)(H){1|N<2>,2|C<3>}	119.2900	0.000	1	119.2900	0.000	1	119.1985	0.017	2	118.1118	1.686	4	116.8821	2.565	25	116.8821	2.565	25
643	371	486	0:SP2_SP2_SP3	C[6a]	N[6a]	C[3]	3:4:2:	3:3:	3:4:4:1:	C[5a,6a]-3:C[3]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[3])(C[6a]N[6a]H)	C[3](C[6a]C[5a,6a]N[6a])(C[3]C[3]HH)2(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,5|H<1>}	N[6a](C[6a]C[5a,6a]C[3])(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[3](C[6a]C[5a,6a]N[6a])(C[3]C[3]HH)2(H){1|N<2>,2|C<3>}	119.1070	0.000	1	119.1070	0.000	1	119.1985	0.017	2	118.1118	1.686	4	116.8821	2.565	25	116.8821	2.565	25
643	371	486	0:SP2_SP2_SP3	C[6a]	N[6a]	C[3]	3:4:2:	3:3:	3:4:4:1:	C[6a]-3:C[3]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a](C[6a]C[6a]C)(C[3]C[3]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[3])	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a]C[6a]C)(C[3]C[3]2H)(N[6a]C[6a]){1|N<2>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[3]){1|H<1>,3|C<3>,3|C<4>}	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H){1|C<4>,2|C<3>}	116.6270	0.000	1	116.6270	0.000	1	117.0250	0.317	2	118.1118	1.686	4	116.8821	2.565	25	116.8821	2.565	25
643	371	486	0:SP2_SP2_SP3	C[6a]	N[6a]	C[3]	3:4:2:	3:3:	3:4:4:1:	C[6a]-3:C[3]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a](C[6a]C[6a]H)(C[3]C[3]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[3])(C[6a]N[6a]N)	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H)	C[6a](C[6a]C[6a]H)(C[3]C[3]2H)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6a](C[6a]C[6a]C[3])(C[6a]N[6a]N){1|C<3>,2|C<4>,2|H<1>}	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H){1|H<1>,2|C<3>}	117.4230	0.000	1	117.4230	0.000	1	117.0250	0.317	2	118.1118	1.686	4	116.8821	2.565	25	116.8821	2.565	25
643	371	486	0:SP2_SP2_SP3	C[6a]	N[6a]	C[3]	3:4:2:	3:3:	3:4:4:3:	C[6a]-3:C[3]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[6a](C[6a]C[6a]H)(C[3]C[3]2C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[3](C[6a]C[6a]N[6a])(C[3]C[3]CH)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]H)(C[3]C[3]2C)(N[6a]C[6a]){2|C<3>,5|H<1>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[3](C[6a]C[6a]N[6a])(C[3]C[3]CH)(C[3]C[3]HH)(COO){1|H<1>,2|C<3>}	117.5310	0.000	1	117.5310	0.000	1	117.5310	0.000	1	117.5310	0.000	1	116.8821	2.565	25	116.8821	2.565	25
643	371	486	0:SP2_SP2_SP3	C[6a]	N[6a]	C[3]	4:2:2:	3:3:	3:4:4:1:	C[3]-4:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a](C[3]C[3]2H)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[3])	C[3](C[6a]N[6a]2)(C[3]C[3]HH)2(H)	C[6a](C[3]C[3]2H)(N[6a]C[6a])2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[3]){1|H<1>,2|C<4>,3|C<3>}	C[3](C[6a]N[6a]2)(C[3]C[3]HH)2(H){2|C<3>}	117.3220	1.499	2	117.3220	2.247	2	117.4172	1.327	4	117.4172	1.327	4	116.8821	2.565	25	116.8821	2.565	25
643	371	486	0:SP2_SP2_SP3	C[6a]	N[6a]	C[3]	4:2:2:	3:3:	3:4:4:1:	C[3]-4:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a](C[3]C[3]2H)(N[6a]C[6a])2	N[6a](C[6a]N[6a]C[3])2	C[3](C[6a]N[6a]2)(C[3]C[3]HH)2(H)	C[6a](C[3]C[3]2H)(N[6a]C[6a])2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6a](C[6a]N[6a]C[3])2{1|C<3>,2|H<1>,4|C<4>}	C[3](C[6a]N[6a]2)(C[3]C[3]HH)2(H){2|C<3>}	117.5125	1.303	2	117.5125	1.698	2	117.4172	1.327	4	117.4172	1.327	4	116.8821	2.565	25	116.8821	2.565	25
643	371	486	0:SP2_SP2_SP3	C[6a]	N[6a]	C[3]	4:3:2:	3:3:	3:3:2:1:	C[3]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[3]-3:O[3]-2:H-1:	C[6a](C[3]N[3]O[3]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[3](C[6a]C[6a]N[6a])(N[3]O[3]C)(O[3]N[3])(H)	C[6a](C[3]N[3]O[3]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[3](C[6a]C[6a]N[6a])(N[3]O[3]C)(O[3]N[3])(H){1|H<1>,2|C<3>}	115.0570	0.000	1	115.0570	0.000	1	115.0570	0.000	1	115.0570	0.000	1	116.8821	2.565	25	116.8821	2.565	25
643	371	486	0:SP2_SP2_SP3	C[6a]	N[6a]	C[3]	4:3:2:	3:3:	3:3:3:2:	C[3]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[3]-3:O[3]-2:	C[6a](C[3]C[6a]N[3]O[3])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[3](C[6a]C[6a]N[6a])2(N[3]O[3]C)(O[3]N[3])	C[6a](C[3]C[6a]N[3]O[3])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[3](C[6a]C[6a]N[6a])2(N[3]O[3]C)(O[3]N[3]){2|H<1>,4|C<3>}	114.8235	0.273	4	114.8235	0.074	4	114.8235	0.074	4	114.8235	0.074	4	116.8821	2.565	25	116.8821	2.565	25
643	371	486	0:SP2_SP2_SP3	C[6a]	N[6a]	C[3]	4:3:2:	3:3:	3:3:4:2:	C[3]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P[3]-4:O[3]-2:	C[6a](C[3]C[6a]O[3]P[3])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[3](C[6a]C[6a]N[6a])2(P[3]O[3]CrC)(O[3]P[3])	C[6a](C[3]C[6a]O[3]P[3])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cr<6>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|C<3>,2|H<1>}	C[3](C[6a]C[6a]N[6a])2(P[3]O[3]CrC)(O[3]P[3]){2|H<1>,4|C<3>}	117.0790	1.847	2	117.0790	3.411	2	117.0790	3.411	2	117.0790	3.411	2	116.8821	2.565	25	116.8821	2.565	25
643	371	486	0:SP2_SP2_SP3	C[6a]	N[6a]	C[3]	4:3:2:	3:3:	3:4:2:3:	C[3]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O[3]-2:C-3:	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O){1|H<1>,4|C<3>}	114.3570	0.000	1	114.3570	0.000	1	114.3570	0.000	1	114.3570	0.000	1	116.8821	2.565	25	116.8821	2.565	25
643	371	486	0:SP2_SP2_SP3	C[6a]	N[6a]	C[3]	4:3:2:	3:3:	4:3:3:2:	C[3]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:O[3]-2:	C[6a](C[3]C[3,6]C[6a]O[3])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O[3]C[3,6])	C[6a](C[3]C[3,6]C[6a]O[3])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O[3]C[3,6]){1|O<1>,1|O<2>,5|C<3>,5|H<1>}	116.0870	0.000	1	116.0870	0.000	1	116.0870	0.000	1	116.0870	0.000	1	116.8821	2.565	25	116.8821	2.565	25
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:2:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]N[6a])2(CH3)	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]N[6a])2(CH3){1|C<3>}	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<3>,1|N<2>}	C(C[6a]N[6a]2)(H)3	117.8238	0.934	4	117.8238	0.873	4	117.8238	0.873	4	117.8238	0.873	4	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:2:	3:3:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](N[6a]N[6a])2(CC[6a]HH)	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]2)(C[6a]N[6a]2)(H)2	C[6a](N[6a]N[6a])2(CC[6a]HH){1|C<3>}	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<3>,1|N<2>}	C(C[6a]C[6a]2)(C[6a]N[6a]2)(H)2	117.7350	0.515	4	117.7316	0.496	14	117.7316	0.496	14	117.7316	0.496	14	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:2:	3:3:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](N[6a]N[6a])2(CC[6a]HH)	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]2)(C[6a]N[6a]2)(H)2	C[6a](N[6a]N[6a])2(CC[6a]HH){1|C<3>}	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>}	C(C[6a]C[6a]2)(C[6a]N[6a]2)(H)2	117.7303	0.792	10	117.7316	0.496	14	117.7316	0.496	14	117.7316	0.496	14	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:2:	3:4:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]N[6a])2(CCHH)	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	C(C[6a]N[6a]2)(CN[6]HH)(H)2	C[6a](N[6a]N[6a])2(CCHH){1|C<3>}	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>}	C(C[6a]N[6a]2)(CN[6]HH)(H)2	117.7012	1.183	18	117.7012	1.399	18	117.7012	1.399	18	117.7012	1.399	18	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CF3)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CF3){1|C<4>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C){1|H<1>,1|N<3>,2|C<3>}	C(C[6a]N[6a]2)(F)3	116.5480	0.000	1	116.5480	0.000	1	116.5480	0.000	1	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C){4|C<3>}	C(C[6a]N[6a]2)(H)3	117.0360	0.000	1	117.1155	0.013	2	116.6490	0.659	3	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C(C[6a]N[6a]2)(H)3	117.1950	0.000	1	117.1155	0.013	2	116.6490	0.659	3	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]C){1|N<2>,2|C<3>}	C(C[6a]N[6a]2)(H)3	115.7160	0.000	1	115.7160	0.000	1	116.6490	0.659	3	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CF3){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,2|C<3>}	C(C[6a]N[6a]2)(F)3	116.3990	0.000	1	116.3990	0.000	1	115.0123	2.713	19	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a,6a])2(CF3)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[6a,6a])2(CF3){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|Br<1>,3|C<3>}	C(C[6a]N[6a]2)(F)3	114.4443	2.335	3	114.9352	2.753	18	115.0123	2.713	19	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a,6a])2(CF3)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[6a,6a])2(CF3){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|Cl<1>,3|C<3>}	C(C[6a]N[6a]2)(F)3	115.0730	1.550	2	114.9352	2.753	18	115.0123	2.713	19	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a,6a])2(CF3)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[6a,6a])2(CF3){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C(C[6a]N[6a]2)(F)3	115.0273	1.649	13	114.9352	2.753	18	115.0123	2.713	19	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CH3)	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CH3){1|N<2>,2|N<3>}	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]C){3|C<3>}	C(C[6a]N[6a]2)(H)3	116.5880	0.000	2	116.5880	0.000	2	116.4915	0.014	4	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])2(CH3)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])2(CH3){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C(C[6a]N[6a]2)(H)3	116.3950	0.075	2	116.3950	0.006	2	116.4915	0.014	4	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CF3)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CF3){1|C<4>,2|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C){1|C<3>,1|N<3>}	C(C[6a]N[6a]2)(F)3	113.9110	0.000	1	113.9110	0.000	1	114.9174	0.579	17	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a])2(CF3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[6a])2(CF3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C(C[6a]N[6a]2)(F)3	115.2542	0.359	4	115.2542	0.129	4	114.9174	0.579	17	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a])2(CF3)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[6a])2(CF3){1|Ir<6>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){2|C<3>}	C(C[6a]N[6a]2)(F)3	114.7188	0.960	4	114.7188	0.922	4	114.9174	0.579	17	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a])2(CF3)	N[6a](C[6a]C[6a]Ir)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[6a])2(CF3){1|Ir<6>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Ir)(C[6a]N[6a]C){2|C<3>}	C(C[6a]N[6a]2)(F)3	115.4668	0.873	4	115.4668	0.762	4	114.9174	0.579	17	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a])2(CF3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[6a])2(CF3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C(C[6a]N[6a]2)(F)3	114.4815	0.276	4	114.4815	0.076	4	114.9174	0.579	17	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C){4|C<3>}	C(C[6a]N[6a]2)(H)3	116.6790	0.000	1	116.6790	0.000	1	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C){1|C<3>,1|N<2>}	C(C[6a]N[6a]2)(H)3	117.1100	0.000	1	116.5235	0.688	2	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C){2|C<3>}	C(C[6a]N[6a]2)(H)3	115.9370	0.000	1	116.5235	0.688	2	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a,6a]N)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CH3){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a,6a]N)(C[6a]N[6a]C){2|C<3>}	C(C[6a]N[6a]2)(H)3	116.7790	0.000	2	116.7790	0.000	2	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C(C[6a]N[6a]2)(H)3	117.0730	0.000	1	116.6987	0.164	3	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C(C[6a]N[6a]2)(H)3	116.5115	0.343	2	116.6987	0.164	3	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|Br<1>,1|C<3>}	C(C[6a]N[6a]2)(H)3	116.5120	0.000	1	117.4452	0.281	12	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|Cl<1>,1|C<3>}	C(C[6a]N[6a]2)(H)3	117.5854	0.448	10	117.4452	0.281	12	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C(C[6a]N[6a]2)(H)3	116.9760	0.000	1	117.4452	0.281	12	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|Cl<1>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C){1|C<3>,1|N<2>}	C(C[6a]N[6a]2)(H)3	118.1380	0.000	1	117.7380	0.320	2	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|Cl<1>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C){1|C<3>,1|N<3>}	C(C[6a]N[6a]2)(H)3	117.3380	0.000	1	117.7380	0.320	2	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|Br<1>,1|C<3>}	C(C[6a]N[6a]2)(H)3	117.3820	0.000	1	117.4580	0.895	5	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|C<4>}	C(C[6a]N[6a]2)(H)3	117.4770	1.091	4	117.4580	0.895	5	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|Cl<1>,1|C<3>}	C(C[6a]N[6a]2)(H)3	116.5475	0.479	10	116.9060	1.408	22	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|C<3>,1|C<4>}	C(C[6a]N[6a]2)(H)3	118.6412	1.921	4	116.9060	1.408	22	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|C<3>,1|C<4>}	C(C[6a]N[6a]2)(H)3	116.8920	0.800	2	116.9060	1.408	22	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C(C[6a]N[6a]2)(H)3	116.3515	0.351	6	116.9060	1.408	22	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|Cl<1>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C){1|C<3>,1|N<2>}	C(C[6a]N[6a]2)(H)3	116.7790	0.000	1	116.8440	0.008	2	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|Cl<1>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C){1|C<3>,1|N<3>}	C(C[6a]N[6a]2)(H)3	116.9090	0.000	1	116.8440	0.008	2	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	C(C[6a]N[6a]2)(H)3	117.1273	0.634	4	117.2799	1.547	27	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|C<4>,2|N<2>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	C(C[6a]N[6a]2)(H)3	119.2550	4.446	2	117.2799	1.547	27	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	C(C[6a]N[6a]2)(H)3	117.3514	0.965	5	117.2799	1.547	27	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	C(C[6a]N[6a]2)(H)3	117.0489	0.671	16	117.2799	1.547	27	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]O)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]O){1|C<3>}	C(C[6a]N[6a]2)(H)3	117.8020	0.000	1	118.7473	0.993	6	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]O)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]O){1|C<3>}	C(C[6a]N[6a]2)(H)3	118.9364	0.987	5	118.7473	0.993	6	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]N[6a]C)2	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	C(C[6a]N[6a]2)(H)3	117.3798	0.875	4	117.1172	0.700	10	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]N[6a]C)2	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	C(C[6a]N[6a]2)(H)3	117.2210	0.594	4	117.1172	0.700	10	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]N[6a]C)2	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|C<4>,2|N<2>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	C(C[6a]N[6a]2)(H)3	116.3845	1.248	2	117.1172	0.700	10	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C){1|C<3>}	C(C[6a]N[6a]2)(H)3	117.5140	0.000	1	117.5140	0.000	1	117.2509	1.166	95	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:C-4:	N[6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CF3)	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CF3){3|C<3>}	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]C){4|C<3>}	C(C[6a]N[6a]2)(F)3	115.6670	0.000	1	115.6670	0.000	1	115.6670	0.000	1	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:O[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)	C(C[6a]N[6a]O[6a])(F)3	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CF3){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C){1|H<1>,3|C<3>}	C(C[6a]N[6a]O[6a])(F)3	120.7090	0.000	1	120.7090	0.000	1	120.7090	0.000	1	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:O[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)	C(C[6a]N[6a]O[6a])(H)3	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CH3){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C){1|H<1>,3|C<3>}	C(C[6a]N[6a]O[6a])(H)3	124.4233	0.648	3	124.4233	0.420	3	124.4233	0.420	3	116.8040	3.508	144	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:2:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:H-1:	C[6a](N[6a]C[6a])2(CHHN)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(NC[5])(H)2	C[6a](N[6a]C[6a])2(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]N[6a]2)(NC[5])(H)2	117.8990	0.000	1	117.8990	0.000	1	116.3425	4.845	2	116.3425	4.845	2	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:2:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:H-1:	C[6a](N[6a]C[6a])2(CHHN)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(NC[5])(H)2	C[6a](N[6a]C[6a])2(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C(C[6a]N[6a]2)(NC[5])(H)2	114.7860	0.000	1	114.7860	0.000	1	116.3425	4.845	2	116.3425	4.845	2	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:3:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(CC[6a]HH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(CC[6a]HH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6a]N[6a]2)(H)2	116.5895	3.348	2	116.5895	11.210	2	116.5895	11.210	2	116.3297	2.583	8	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:3:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](N[6a]C[6a])2(CHHN)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(NC[5]H)(H)2	C[6a](N[6a]C[6a])2(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]N[6a]2)(NC[5]H)(H)2	117.5970	0.000	1	117.5970	0.000	1	116.3060	3.333	2	116.3297	2.583	8	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:3:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](N[6a]C[6a])2(CHHN)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(NC[5]H)(H)2	C[6a](N[6a]C[6a])2(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C(C[6a]N[6a]2)(NC[5]H)(H)2	115.0150	0.000	1	115.0150	0.000	1	116.3060	3.333	2	116.3297	2.583	8	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:3:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(CN[5a]HH)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C(C[6a]N[6a]2)(N[5a]C[5a]2)(H)2	C[6a](N[6a]C[6a])2(CN[5a]HH){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	C(C[6a]N[6a]2)(N[5a]C[5a]2)(H)2	115.0830	0.000	1	115.0830	0.000	1	116.2350	2.654	2	116.3297	2.583	8	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:3:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(CN[5a]HH)	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(N[5a]C[5a]2)(H)2	C[6a](N[6a]C[6a])2(CN[5a]HH){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]C){1|C<3>,1|C<4>,1|N<2>}	C(C[6a]N[6a]2)(N[5a]C[5a]2)(H)2	117.3870	0.000	1	117.3870	0.000	1	116.2350	2.654	2	116.3297	2.583	8	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:3:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(CN[5a]HH)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C(N[5a]C[5a,6a]C[5a])(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(CN[5a]HH){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6a]N[6a]2)(H)2	115.6010	0.000	1	115.6010	0.000	1	116.1885	0.690	2	116.3297	2.583	8	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:3:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(CN[5a]HH)	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]C)	C(N[5a]C[5a,6a]C[5a])(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(CN[5a]HH){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]C){1|C<3>,1|C<4>,1|N<2>}	C(N[5a]C[5a,6a]C[5a])(C[6a]N[6a]2)(H)2	116.7760	0.000	1	116.7760	0.000	1	116.1885	0.690	2	116.3297	2.583	8	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:3:3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CN[5a]3)	N[6a](C[6a]N[6a]C)2	C(N[5a]C[5a]N[5a])3(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(CN[5a]3){1|N<2>,2|C<4>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	C(N[5a]C[5a]N[5a])3(C[6a]N[6a]2)	117.0357	1.147	6	117.0357	1.315	6	117.0357	1.315	6	117.0357	1.315	6	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:3:4:4:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CC[5]CC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[5]N[5]O[5])(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CC[5]CC){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C(C[5]N[5]O[5])(C[6a]N[6a]2)(CH3)2	118.8700	0.062	2	118.8700	0.004	2	118.8700	0.004	2	116.4862	7.583	4	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:3:4:4:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CC[5]CC)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[5]N[5]O[5])(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CC[5]CC){3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C){4|C<3>}	C(C[5]N[5]O[5])(C[6a]N[6a]2)(CH3)2	114.1025	0.124	2	114.1025	0.015	2	114.1025	0.015	2	116.4862	7.583	4	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CCHH)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CCHH){1|N<2>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]C){3|C<3>}	C(C[6a]N[6a]2)(CCHH)(H)2	117.1430	1.294	2	117.1430	1.674	2	117.2390	0.865	3	115.8872	1.611	44	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CCHH)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CH3)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CCHH){1|N<2>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]C){3|C<3>}	C(C[6a]N[6a]2)(CH3)(H)2	117.4310	0.000	1	117.4310	0.000	1	117.2390	0.865	3	115.8872	1.611	44	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:F-1:F-1:	C[6a](N[6a]C[6a,6a])2(CCFF)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CCFF)(F)2	C[6a](N[6a]C[6a,6a])2(CCFF){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|C<4>,3|C<3>}	C(C[6a]N[6a]2)(CCFF)(F)2	115.1230	0.232	2	115.1590	0.290	22	115.1273	0.269	26	115.8872	1.611	44	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:F-1:F-1:	C[6a](N[6a]C[6a,6a])2(CCFF)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CCFF)(F)2	C[6a](N[6a]C[6a,6a])2(CCFF){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C(C[6a]N[6a]2)(CCFF)(F)2	115.2742	0.324	4	115.1590	0.290	22	115.1273	0.269	26	115.8872	1.611	44	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:F-1:F-1:	C[6a](N[6a]C[6a,6a])2(CCFF)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CCFF)(F)2	C[6a](N[6a]C[6a,6a])2(CCFF){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|Sn<4>,3|C<3>}	C(C[6a]N[6a]2)(CCFF)(F)2	115.2915	1.716	2	115.1590	0.290	22	115.1273	0.269	26	115.8872	1.611	44	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:F-1:F-1:	C[6a](N[6a]C[6a,6a])2(CCFF)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CCFF)(F)2	C[6a](N[6a]C[6a,6a])2(CCFF){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){4|C<3>}	C(C[6a]N[6a]2)(CCFF)(F)2	115.1124	0.451	14	115.1590	0.290	22	115.1273	0.269	26	115.8872	1.611	44	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:F-1:F-1:	C[6a](N[6a]C[6a,6a])2(CCFF)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CF3)(F)2	C[6a](N[6a]C[6a,6a])2(CCFF){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|Br<1>,3|C<3>}	C(C[6a]N[6a]2)(CF3)(F)2	115.3190	0.000	1	114.9530	0.167	4	115.1273	0.269	26	115.8872	1.611	44	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:F-1:F-1:	C[6a](N[6a]C[6a,6a])2(CCFF)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CF3)(F)2	C[6a](N[6a]C[6a,6a])2(CCFF){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C(C[6a]N[6a]2)(CF3)(F)2	114.8310	0.401	3	114.9530	0.167	4	115.1273	0.269	26	115.8872	1.611	44	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CC[6a]HO)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CCHH){1|S<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C(C[6a]N[6a]2)(CC[6a]HO)(H)2	118.7200	0.000	1	118.7200	0.000	1	118.7200	0.000	1	115.8872	1.611	44	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CCHH)	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CCHH){1|N<2>,2|N<3>}	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C){2|C<3>}	C(C[6a]N[6a]2)(CCHH)(H)2	116.3225	1.520	2	116.3225	2.309	2	116.8063	1.574	14	115.8872	1.611	44	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CCHH)	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CH3)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CCHH){1|N<2>,2|N<3>}	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C){2|C<3>}	C(C[6a]N[6a]2)(CH3)(H)2	115.9640	0.000	1	115.9640	0.000	1	116.8063	1.574	14	115.8872	1.611	44	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CC[6a]HO)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CCHH){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]C){2|C<3>}	C(C[6a]N[6a]2)(CC[6a]HO)(H)2	114.9830	0.000	1	114.9830	0.000	1	116.8063	1.574	14	115.8872	1.611	44	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a])2(CCHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CC[5a]HH)(H)2	C[6a](N[6a]C[6a])2(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C(C[6a]N[6a]2)(CC[5a]HH)(H)2	117.3290	2.345	2	117.3290	5.498	2	116.8063	1.574	14	115.8872	1.611	44	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a])2(CCHH)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a])2(CCHH){1|N<2>,2|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]C){3|C<3>}	C(C[6a]N[6a]2)(CCHH)(H)2	117.1990	1.021	2	117.1990	1.043	2	116.8063	1.574	14	115.8872	1.611	44	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a])2(CCHH)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C(C[6a]N[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a])2(CCHH){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	C(C[6a]N[6a]2)(CH3)(H)2	116.6835	0.359	2	116.5520	0.664	4	116.8063	1.574	14	115.8872	1.611	44	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a])2(CCHH)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C(C[6a]N[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a])2(CCHH){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	C(C[6a]N[6a]2)(CH3)(H)2	116.4205	1.340	2	116.5520	0.664	4	116.8063	1.574	14	115.8872	1.611	44	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a])2(CCHH)	N[6a](C[6a]N[6a]C)2	C(C[6a]N[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a])2(CCHH){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	C(C[6a]N[6a]2)(CH3)(H)2	118.2160	0.180	2	118.2160	0.032	2	116.8063	1.574	14	115.8872	1.611	44	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:4:4:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:N-3:	C[6a](N[6a]C[6a])2(CCCN)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CH3)2(NCH)	C[6a](N[6a]C[6a])2(CCCN){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|O<2>}	C(C[6a]N[6a]2)(CH3)2(NCH)	119.0300	0.181	2	119.0300	0.033	2	117.0485	5.333	4	117.0485	5.333	4	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:4:4:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:N-3:	C[6a](N[6a]C[6a])2(CCCN)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CH3)2(NCH)	C[6a](N[6a]C[6a])2(CCCN){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C){1|C<3>,1|O<2>}	C(C[6a]N[6a]2)(CH3)2(NCH)	115.0670	0.512	2	115.0670	0.262	2	117.0485	5.333	4	117.0485	5.333	4	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:4:4:4:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](N[6a]C[6a,6a])2(CC3)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CH3)3	C[6a](N[6a]C[6a,6a])2(CC3){1|C<3>,2|N<2>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]N[6a]C){3|C<3>}	C(C[6a]N[6a]2)(CH3)3	115.5810	0.930	6	115.5810	0.865	6	115.9555	1.968	8	115.9555	1.968	8	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:4:4:4:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](N[6a]C[6a,6a])2(CC3)	N[6a](C[6a,6a]N[3x6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CH3)3	C[6a](N[6a]C[6a,6a])2(CC3){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a,6a]N[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C(C[6a]N[6a]2)(CH3)3	118.8230	0.000	1	118.8230	0.000	1	115.9555	1.968	8	115.9555	1.968	8	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	3:4:4:4:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](N[6a]C[6a,6a])2(CC3)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CH3)3	C[6a](N[6a]C[6a,6a])2(CC3){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]C){3|C<3>}	C(C[6a]N[6a]2)(CH3)3	115.3350	0.000	1	115.3350	0.000	1	115.9555	1.968	8	115.9555	1.968	8	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:2:4:	3:3:	4:3:4:1:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(CC[5]CH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C(C[5]C[5,6a]C[5]O)(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(CC[5]CH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C(C[5]C[5,6a]C[5]O)(C[6a]N[6a]2)(CCHH)(H)	117.5380	0.587	2	117.5380	0.344	2	117.5380	0.344	2	117.5380	0.344	2	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]N[6a])(F)3	113.6540	0.462	2	113.6540	0.214	2	113.4773	0.201	3	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CF3){1|O<1>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(F)3	113.1240	0.000	1	113.1240	0.000	1	113.4773	0.201	3	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|S<2>}	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]N[6a])(H)3	115.7855	0.022	2	115.7855	0.000	2	116.3114	1.647	19	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5,6a]N[5,6a]N[5,6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|C<4>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5,6])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	118.1670	0.000	1	118.1670	0.000	1	116.3114	1.647	19	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	118.5705	0.074	2	116.2611	1.707	16	116.3114	1.647	19	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|C<4>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.8704	0.512	5	116.2611	1.707	16	116.3114	1.647	19	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.1960	0.000	1	116.2611	1.707	16	116.3114	1.647	19	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|O<1>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C){1|Cu<5>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.1435	1.087	2	116.2611	1.707	16	116.3114	1.647	19	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|O<1>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C){1|Ni<6>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.0550	0.233	3	116.2611	1.707	16	116.3114	1.647	19	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|O<1>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.3020	0.000	1	116.2611	1.707	16	116.3114	1.647	19	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|O<1>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C){1|Pt<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.3675	0.697	2	116.2611	1.707	16	116.3114	1.647	19	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:Br-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CBrHH)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(Br)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CBrHH){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C(C[6a]C[6a]N[6a])(Br)(H)2	116.4930	0.004	2	116.4930	0.000	2	116.4930	0.000	2	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:Cl-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CClHH)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(Cl)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CClHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(Cl)(H)2	114.1540	0.000	1	114.1540	0.000	1	114.1540	0.000	1	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CF3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CF3){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|N<2>,4|C<3>}	C(C[6a]C[6a]N[6a])(F)3	112.6710	0.016	2	112.6710	0.000	2	113.4668	0.738	5	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CF3)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CF3){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){4|C<3>}	C(C[6a]C[6a]N[6a])(F)3	114.5820	0.000	1	114.5820	0.000	1	113.4668	0.738	5	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CF3){1|O<1>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(F)3	113.3010	0.000	1	113.3010	0.000	1	113.4668	0.738	5	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CF3){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(F)3	114.1090	0.000	1	114.1090	0.000	1	113.4668	0.738	5	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(CH3){1|C<4>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|N<2>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.2340	0.000	1	115.2340	0.000	1	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.8640	0.000	1	116.2325	0.798	2	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.6010	0.000	1	116.2325	0.798	2	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3){1|S<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.4925	0.738	8	115.4925	0.545	8	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3){1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.7680	0.000	1	116.7680	0.000	1	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	114.9095	0.449	2	114.6000	0.388	3	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3){1|O<1>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	113.9810	0.000	1	114.6000	0.388	3	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.5805	0.114	2	115.9892	0.274	5	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.5500	0.000	1	115.9892	0.274	5	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.6700	0.000	1	115.9892	0.274	5	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.5650	0.000	1	115.9892	0.274	5	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.5975	0.532	2	115.5975	0.284	2	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.2806	0.449	5	116.4240	0.285	6	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.1410	0.000	1	116.4240	0.285	6	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.0100	0.000	1	117.1111	0.201	9	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.9925	0.053	2	117.1111	0.201	9	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	117.4880	0.222	2	117.1111	0.201	9	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.7020	0.436	2	117.1111	0.201	9	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	117.8730	0.000	1	117.1111	0.201	9	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.7520	0.000	1	117.1111	0.201	9	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	118.0560	0.000	1	117.2889	0.551	27	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.3094	0.607	22	117.2889	0.551	27	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	118.1295	0.507	2	117.2889	0.551	27	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.0540	0.000	1	117.2889	0.551	27	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|O<1>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.6240	0.000	1	117.2889	0.551	27	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)(CH3){1|C<3>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|H<1>,2|C<3>,2|N<2>}	C(C[6a]C[6a]N[6a])(H)3	116.9645	0.822	2	116.9645	0.676	2	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C(C[6a]C[6a]N[6a])(H)3	117.4040	0.269	2	117.7297	0.172	4	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|Si<4>,1|C<3>,1|C<4>,1|N<2>,1|S<2>}	C(C[6a]C[6a]N[6a])(H)3	118.0555	0.144	2	117.7297	0.172	4	116.6791	1.064	70	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:Br-1:Br-1:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CBr2H)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(Br)2(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CBr2H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C){1|B<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(Br)2(H)	117.6640	0.000	1	117.6640	0.000	1	117.6640	0.000	1	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(F)3	113.4205	0.237	2	113.4205	0.056	2	113.9652	0.435	4	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C){1|B<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(F)3	114.6850	0.000	1	114.5100	0.061	2	113.9652	0.435	4	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(F)3	114.3350	0.000	1	114.5100	0.061	2	113.9652	0.435	4	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	115.3680	0.000	1	115.4595	0.017	2	116.3923	1.793	31	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.5510	0.000	1	115.4595	0.017	2	116.3923	1.793	31	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]C){1|C<3>,2|H<1>,3|C<4>}	C(C[6a]C[6a]N[6a])(H)3	114.0943	0.238	3	114.0943	0.056	3	116.3923	1.793	31	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6,6a]N[6,6a]S[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6,6a]N[6,6a]S[6])(C[6a]C[6a]C){1|C<4>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	113.9030	0.000	1	113.9030	0.000	1	116.3923	1.793	31	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	115.7520	0.000	1	116.4760	1.048	2	116.3923	1.793	31	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.2000	0.000	1	116.4760	1.048	2	116.3923	1.793	31	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C){1|B<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.9620	0.000	1	116.5690	0.277	3	116.3923	1.793	31	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.8725	0.033	2	116.5690	0.277	3	116.3923	1.793	31	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C){1|B<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.3577	0.730	4	116.3577	0.533	4	116.3923	1.793	31	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|Cu<3>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.0770	0.000	1	117.0847	1.689	12	116.3923	1.793	31	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|H<1>,1|W<6>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.2730	0.000	1	117.0847	1.689	12	116.3923	1.793	31	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|Ru<5>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	120.6880	0.000	1	117.0847	1.689	12	116.3923	1.793	31	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|Ru<6>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.2430	0.000	1	117.0847	1.689	12	116.3923	1.793	31	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.4980	0.000	1	117.0847	1.689	12	116.3923	1.793	31	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.0339	0.293	7	117.0847	1.689	12	116.3923	1.793	31	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|S<4>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C(C[6a]C[6a]N[6a])(H)3	116.9875	0.529	4	116.9875	0.279	4	116.3923	1.793	31	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:Br-1:Br-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CBr2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(Br)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CBr2H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(Br)2(H)	116.4460	0.000	1	116.4460	0.000	1	115.4280	2.073	2	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:Br-1:Br-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CBr2H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(Br)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CBr2H){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(Br)2(H)	114.4100	0.000	1	114.4100	0.000	1	115.4280	2.073	2	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:Br-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CBrHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(Br)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CBrHH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(Br)(H)2	115.4460	0.000	1	115.4460	0.000	1	115.4460	0.000	1	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:Cl-1:Cl-1:Cl-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(Cl)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(Cl)3	114.9762	0.182	4	114.9762	0.033	4	114.9817	0.671	9	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:Cl-1:Cl-1:Cl-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(Cl)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(Cl)3	114.7330	0.000	1	115.3632	0.807	4	114.9817	0.671	9	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:Cl-1:Cl-1:Cl-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(Cl)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(Cl)3	115.5733	0.973	3	115.3632	0.807	4	114.9817	0.671	9	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:Cl-1:Cl-1:Cl-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(Cl)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(Cl)3	113.4770	0.000	1	113.4770	0.000	1	114.9817	0.671	9	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|C<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(F)3	114.3635	0.525	8	114.7864	0.725	41	114.6787	0.954	52	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|C<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(F)3	113.9910	0.000	1	114.7864	0.725	41	114.6787	0.954	52	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(F)3	114.8593	1.055	13	114.7864	0.725	41	114.6787	0.954	52	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(F)3	115.2731	0.621	13	114.7864	0.725	41	114.6787	0.954	52	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(F)3	114.4360	0.000	1	114.7864	0.725	41	114.6787	0.954	52	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(F)3	114.2376	0.747	5	114.7864	0.725	41	114.6787	0.954	52	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(F)3	114.3140	0.000	1	114.3140	0.000	1	114.6787	0.954	52	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(F)3	114.3378	0.728	6	114.3378	0.530	6	114.6787	0.954	52	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]I)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]I)(CF3){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|I<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(F)3	113.9590	0.000	1	113.9590	0.000	1	114.6787	0.954	52	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]P)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]P)(CF3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|P<4>,3|C<3>}	C(C[6a]C[6a]N[6a])(F)3	111.4380	0.000	1	111.4380	0.000	1	114.6787	0.954	52	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CF3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(F)3	114.4800	0.000	1	114.4800	0.000	1	114.6787	0.954	52	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CF3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(F)3	116.8300	0.000	1	116.8300	0.000	1	114.6787	0.954	52	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.7267	0.423	6	116.5175	0.564	42	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	114.8375	0.162	2	116.5175	0.564	42	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	114.6030	0.000	1	116.5175	0.564	42	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.5010	1.799	2	116.5175	0.564	42	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.7127	0.453	31	116.5175	0.564	42	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	113.9940	0.000	1	113.9755	0.001	2	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	113.9570	0.000	1	113.9755	0.001	2	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.9630	0.184	2	117.1406	0.419	40	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.1584	0.607	34	117.1406	0.419	40	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.2830	0.000	1	117.1406	0.419	40	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.4730	0.000	1	117.1406	0.419	40	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.7795	0.692	2	117.1406	0.419	40	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.7680	0.167	2	116.7680	0.028	2	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.3475	0.383	2	117.2897	0.272	13	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.2792	0.558	11	117.2897	0.272	13	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.3150	0.000	1	117.7111	0.658	31	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.9920	0.000	1	117.7111	0.658	31	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.7950	0.000	1	117.7111	0.658	31	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.5310	0.000	1	117.7111	0.658	31	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.9910	0.000	1	117.7111	0.658	31	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.5461	0.470	7	117.7111	0.658	31	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	118.0948	1.213	9	117.7111	0.658	31	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.5475	0.043	2	117.7111	0.658	31	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.1777	0.214	3	117.7111	0.658	31	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|N<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.7370	0.000	1	117.7111	0.658	31	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.0320	0.000	1	117.7111	0.658	31	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|P<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.2730	0.000	1	117.7111	0.658	31	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	118.5370	1.146	2	117.7111	0.658	31	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.5776	0.264	5	116.5776	0.070	5	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.2781	0.393	18	117.1088	0.282	33	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.7710	0.000	1	117.1088	0.282	33	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.2436	0.613	5	117.1088	0.282	33	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.7330	0.604	9	117.1088	0.282	33	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.5825	1.394	2	116.5825	1.942	2	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.6500	0.000	1	116.6500	0.000	1	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	114.8725	0.179	4	114.8725	0.032	4	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|N<2>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.6150	0.000	1	116.6150	0.000	1	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	118.8270	0.000	1	117.8114	0.623	24	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.8963	0.520	19	117.8114	0.623	24	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	C(C[6a]C[6a]N[6a])(H)3	117.1545	1.479	4	117.8114	0.623	24	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){1|C<3>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.2142	0.524	4	116.3060	3.026	8	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){1|C<3>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|C<4>}	C(C[6a]C[6a]N[6a])(H)3	117.3978	1.900	4	116.3060	3.026	8	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CH3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	119.2100	0.000	1	119.2100	0.000	1	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(CH3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.9980	0.000	1	117.9980	0.000	1	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	119.9184	0.392	14	119.9623	0.148	16	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	120.1840	0.000	1	119.9623	0.148	16	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	120.3550	0.000	1	119.9623	0.148	16	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(CH3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	118.6917	0.513	4	118.6917	0.264	4	117.2928	1.466	230	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.8604	0.867	7	116.7754	0.702	8	116.7754	0.702	8	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:C[6a]-3:C-4:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(CH3){3|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.1800	0.000	1	116.7754	0.702	8	116.7754	0.702	8	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(CH3)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	C(C[6a]N[6a]2)(H)3	118.0630	0.000	1	118.0630	0.000	1	119.1955	2.565	2	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(CH3)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(CH3){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]C){1|N<3>,3|C<3>}	C(C[6a]N[6a]2)(H)3	120.3280	0.000	1	120.3280	0.000	1	119.1955	2.565	2	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:Cl-1:Cl-1:Cl-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CCl3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(Cl)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CCl3){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){2|H<1>,3|C<3>}	C(C[6a]N[6a]2)(Cl)3	117.2143	2.175	3	117.2143	4.731	3	117.2143	4.731	3	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|N<2>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){5|C<3>}	C(C[6a]N[6a]2)(H)3	119.5510	0.000	1	119.1545	0.149	14	119.2317	0.311	19	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,4|C<3>}	C(C[6a]N[6a]2)(H)3	119.1252	0.441	10	119.1545	0.149	14	119.2317	0.311	19	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|O<2>,4|C<3>}	C(C[6a]N[6a]2)(H)3	119.1200	0.100	3	119.1545	0.149	14	119.2317	0.311	19	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]N[6a]2)(H)3	117.8580	0.000	1	117.8580	0.000	1	119.2317	0.311	19	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]N[6a]2)(H)3	119.6340	0.000	1	119.8452	0.063	4	119.2317	0.311	19	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]N[6a]2)(H)3	119.9157	0.254	3	119.8452	0.063	4	119.2317	0.311	19	116.7218	2.521	462	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:2:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHO)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OH)(H)2	116.3040	0.000	1	116.3040	0.000	1	116.3040	0.000	1	117.0822	1.531	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:2:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:S-2:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHS)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(SC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHS){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(SC)(H)2	116.5545	0.458	4	116.5545	0.210	4	117.1378	1.599	14	117.0822	1.531	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:2:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:S-2:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHS)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHS){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	116.4810	0.000	1	116.4810	0.000	1	117.1378	1.599	14	117.0822	1.531	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:2:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:S-2:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CHHS)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(SC[5])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CHHS){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(SC[5])(H)2	116.7640	0.000	1	116.7640	0.000	1	117.1378	1.599	14	117.0822	1.531	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:2:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:S-2:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CHHS)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(SC[5a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CHHS){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(SC[5a])(H)2	118.2725	0.919	6	118.2725	0.844	6	117.1378	1.599	14	117.0822	1.531	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:2:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:S-2:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CHHS)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CHHS){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	115.4155	0.590	2	115.4155	0.349	2	117.1378	1.599	14	117.0822	1.531	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:2:2:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHOO)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHOO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)2(H)	117.7660	0.000	1	117.7660	0.000	1	116.6620	2.033	3	116.6620	2.033	3	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:2:2:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHOO)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHOO){1|C<3>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(OC)2(H)	116.1100	1.496	2	116.1100	2.239	2	116.6620	2.033	3	116.6620	2.033	3	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CHHN)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CHHN){1|C<3>,1|C<4>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	115.5630	0.349	2	115.5630	0.122	2	115.5630	0.122	2	117.3720	1.650	69	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:F-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCFH)	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(COO)(F)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCFH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(COO)(F)(H)	114.9270	0.000	1	114.9270	0.000	1	114.9270	0.000	1	117.3720	1.650	69	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(COO)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,1|O<1>,1|O<2>,2|N<3>}	C(C[6a]C[6a]N[6a])(COO)(H)2	119.9330	0.000	1	119.9330	0.000	1	119.9330	0.000	1	117.3720	1.650	69	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCHO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]O)(H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCHO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]O)(H)(O)	119.0600	0.000	1	119.0600	0.000	1	119.0600	0.000	1	117.3720	1.650	69	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:F-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CC[6a]FF)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(F)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CC[6a]FF){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(F)2	117.4250	0.000	1	117.4250	0.000	1	118.5207	0.913	3	117.3720	1.650	69	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:F-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]FF)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(F)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]FF){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(F)2	119.0685	0.161	2	119.0685	0.026	2	118.5207	0.913	3	117.3720	1.650	69	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	117.3430	0.000	1	117.3430	0.000	1	118.2780	4.032	3	117.3720	1.650	69	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	116.9080	0.000	1	116.9080	0.000	1	118.2780	4.032	3	117.3720	1.650	69	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	120.5830	0.000	1	120.5830	0.000	1	118.2780	4.032	3	117.3720	1.650	69	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(NCC)(H)2	117.8870	0.366	7	117.4301	0.650	31	117.2425	1.323	42	117.3720	1.650	69	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NCC)(H)2	117.2968	0.855	24	117.4301	0.650	31	117.2425	1.323	42	117.3720	1.650	69	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	117.8442	1.597	5	117.8442	2.552	5	117.2425	1.323	42	117.3720	1.650	69	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	115.5898	1.504	4	115.5898	2.261	4	117.2425	1.323	42	117.3720	1.650	69	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	116.9960	0.000	1	116.9960	0.000	1	117.2425	1.323	42	117.3720	1.650	69	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NReC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NReC)(H)2	115.2750	0.000	1	115.2750	0.000	1	117.2425	1.323	42	117.3720	1.650	69	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]HH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	115.9030	0.000	1	115.9030	0.000	1	115.9030	0.000	1	117.3720	1.650	69	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]HH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	115.3820	0.000	1	115.3820	0.000	1	116.4197	1.011	3	117.3720	1.650	69	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]HH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	116.9385	0.639	2	116.9385	0.408	2	116.4197	1.011	3	117.3720	1.650	69	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:S-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CHHS)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(SFe2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CHHS){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(SFe2)(H)2	117.4979	0.492	10	117.4979	0.242	10	117.4979	0.242	10	117.3720	1.650	69	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CN[5a]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CN[5a]HH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	120.1510	0.000	1	120.1510	0.000	1	120.1510	0.000	1	117.3720	1.650	69	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CHHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(NHS)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CHHN){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]N[6a]2)(NHS)(H)2	118.7470	0.000	1	118.7470	0.000	1	118.7470	0.000	1	117.3720	1.650	69	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:2:2:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:O-2:O-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCOO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(COO)(OH)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCOO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(COO)(OH)2	120.7110	0.000	1	120.7110	0.000	1	120.7110	0.000	1	120.7110	0.000	1	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]2H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])3(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])3(H)	117.2835	1.406	2	117.2835	1.978	2	117.2835	1.978	2	119.3440	6.323	4	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:3:1:	N[6a]-2:N[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CC[6a]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]C[6a]2)2(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CC[6a]2H){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]2)2(C[6a]N[6a]2)(H)	121.4045	0.095	2	121.4045	0.009	2	121.4045	0.009	2	119.3440	6.323	4	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:3:2:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]2O)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(OH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]2O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(OH)	113.3440	0.000	1	113.3440	0.000	1	113.3440	0.000	1	113.3440	0.000	1	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:4:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]CH)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	114.2410	0.000	1	114.2410	0.000	1	114.2410	0.000	1	116.7587	5.574	3	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:4:1:	N[6a]-2:N[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CCHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CCHN){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,4|C<3>}	C(C[6a]N[6a]2)(NC[6a]H)(CCHH)(H)	118.9230	0.000	1	118.9230	0.000	1	118.0175	1.640	2	116.7587	5.574	3	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:4:1:	N[6a]-2:N[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(NC[6a]H)(CH3)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHN){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]N[6a]2)(NC[6a]H)(CH3)(H)	117.1120	0.000	1	117.1120	0.000	1	118.0175	1.640	2	116.7587	5.574	3	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:4:3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:C-4:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]O)(CH3)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]O)(CH3)(COO)	112.3640	0.000	1	112.3640	0.000	1	112.3640	0.000	1	115.6373	8.050	3	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:3:4:3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]CS)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]CS){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	117.2740	0.165	2	117.2740	0.027	2	117.2740	0.027	2	115.6373	8.050	3	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CCHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CCHH){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	114.5250	0.000	1	114.5250	0.000	1	115.7794	6.576	7	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CCHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,4|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	113.3850	0.000	1	113.3850	0.000	1	115.7794	6.576	7	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CCHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	114.2310	0.000	1	114.2310	0.000	1	115.7794	6.576	7	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CCHH)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	119.8390	0.000	1	119.8390	0.000	1	115.7794	6.576	7	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CCHH)	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	113.2880	0.000	1	113.2880	0.000	1	115.7794	6.576	7	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CCHH)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|Br<1>,1|C<3>,1|C<4>,1|N<2>,1|S<2>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	118.0830	0.000	1	118.0830	0.000	1	115.7794	6.576	7	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CCHH)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	117.1050	0.000	1	117.1050	0.000	1	115.7794	6.576	7	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:F-1:F-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]I)(CCFF)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCFF)(F)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]I)(CCFF){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(CCFF)(F)2	112.4680	0.000	1	112.4680	0.000	1	112.4680	0.000	1	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]CN)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(CCHH){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]CN)(H)2	117.2010	0.000	1	117.2010	0.000	1	117.8765	2.342	31	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	115.2090	0.000	1	115.7338	2.178	4	117.8765	2.342	31	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	116.8530	0.904	2	115.7338	2.178	4	117.8765	2.342	31	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	114.0200	0.000	1	115.7338	2.178	4	117.8765	2.342	31	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCHO)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(CCHO)(H)2	116.1135	0.958	2	116.1135	0.918	2	117.8765	2.342	31	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	117.6880	0.000	1	117.6880	0.000	1	117.8765	2.342	31	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CCCH)(H)2	118.5100	0.000	1	118.5100	0.000	1	117.8765	2.342	31	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCHO)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CCHO)(H)2	116.6270	0.000	1	116.6270	0.000	1	117.8765	2.342	31	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	118.4605	1.179	2	118.4605	1.389	2	117.8765	2.342	31	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	119.4280	1.225	2	119.4280	1.500	2	117.8765	2.342	31	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]HN)(H)2	116.7020	0.000	1	118.0520	3.645	2	117.8765	2.342	31	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]HN)(H)2	119.4020	0.000	1	118.0520	3.645	2	117.8765	2.342	31	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]SiH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]SiH)(H)2	117.2560	0.000	1	117.2560	0.000	1	117.8765	2.342	31	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(CCCH)(H)2	117.6405	0.223	2	117.6405	0.050	2	117.8765	2.342	31	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCCO)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(CCCO)(H)2	118.1340	0.000	1	118.1340	0.000	1	117.8765	2.342	31	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	117.8110	1.407	2	118.2214	0.440	8	117.8765	2.342	31	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	118.5558	0.222	4	118.2214	0.440	8	117.8765	2.342	31	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	117.9630	0.184	2	118.2214	0.440	8	117.8765	2.342	31	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCHH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]CH)(H)2	118.9170	0.000	1	118.9170	0.000	1	117.8765	2.342	31	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	120.8070	0.000	1	120.8715	0.008	2	117.8765	2.342	31	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	120.9360	0.000	1	120.8715	0.008	2	117.8765	2.342	31	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(NCHH)(H)2	118.5250	0.957	2	118.5250	0.917	2	118.2601	2.822	8	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	119.2190	0.000	1	119.2190	0.000	1	118.2601	2.822	8	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NCdCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NCdCC)(H)2	120.2080	0.000	1	120.2080	0.000	1	118.2601	2.822	8	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NCuCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NCuCC)(H)2	116.7420	0.000	1	116.7420	0.000	1	118.2601	2.822	8	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NMnCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NMnCC)(H)2	120.2550	0.000	1	120.2550	0.000	1	118.2601	2.822	8	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NPdCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(NPdCC)(H)2	116.4460	0.000	1	116.4460	0.000	1	118.2601	2.822	8	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NReCH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NReCH)(H)2	116.1610	0.000	1	116.1610	0.000	1	118.2601	2.822	8	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHP)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(PCCS)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHP){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(PCCS)(H)2	116.3070	0.000	1	116.3070	0.000	1	116.1803	0.169	3	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHP)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(PC[6a]2S)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHP){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(PC[6a]2S)(H)2	115.7210	0.000	1	115.7210	0.000	1	116.1803	0.169	3	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHP)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(PRuCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHP){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(PRuCC)(H)2	116.5130	0.000	1	116.5130	0.000	1	116.1803	0.169	3	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CCHO)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHH){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]N[6a]2)(CCHO)(H)2	119.4230	0.000	1	119.4230	0.000	1	120.0982	1.054	5	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]N[6a]2)(CCHH)(H)2	119.7155	1.416	2	119.7155	2.006	2	120.0982	1.054	5	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]N[6a]2)(CH3)(H)2	120.8185	0.651	2	120.8185	0.424	2	120.0982	1.054	5	117.6765	4.192	55	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:2:1:	N[6a]-2:N[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:O-2:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CCCH)(OSi)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]N[6a]2)(CCCH)(OSi)(H)	118.1887	1.413	3	118.1887	1.997	3	118.3527	2.557	6	118.3527	2.557	6	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:2:1:	N[6a]-2:N[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:O-2:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CH3)(OH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]N[6a]2)(CH3)(OH)(H)	117.3410	0.580	2	117.3410	0.336	2	118.3527	2.557	6	118.3527	2.557	6	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:2:1:	N[6a]-2:N[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:O-2:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CH3)(OSi)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]N[6a]2)(CH3)(OSi)(H)	120.8680	0.000	1	120.8680	0.000	1	118.3527	2.557	6	118.3527	2.557	6	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:4:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CCCH)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CH3)2(H)	117.6675	0.054	2	117.6675	0.003	2	117.6675	0.003	2	117.9800	0.754	6	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:4:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCCH){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CCHH)2(H)	118.4080	0.000	1	118.4080	0.000	1	118.1363	1.158	4	117.9800	0.754	6	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:4:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	118.3320	1.698	2	118.3320	2.885	2	118.1363	1.158	4	117.9800	0.754	6	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:4:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(CHHO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]HN)(CHHO)(H)	117.4730	0.000	1	117.4730	0.000	1	118.1363	1.158	4	117.9800	0.754	6	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:4:3:	N[6a]-2:C[6a]-3:C-4:	C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:N-3:	C[6a](N[6a]C[6,6,6a])(C[6a]C[6a]H)(CCCN)	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)2(NCC)	C[6a](N[6a]C[6,6,6a])(C[6a]C[6a]H)(CCCN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C){1|C<3>,2|H<1>,3|C<4>}	C(C[6a]C[6a]N[6a])(CH3)2(NCC)	115.2060	0.000	1	115.2060	0.000	1	115.2060	0.000	1	115.7560	0.605	2	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:4:3:	N[6a]-2:N[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:N-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(CCCN)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CH3)2(NCH)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(CCCN){1|O<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	C(C[6a]N[6a]2)(CH3)2(NCH)	116.3060	0.000	1	116.3060	0.000	1	116.3060	0.000	1	115.7560	0.605	2	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:3:4:	3:3:	3:4:4:4:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CC3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CC3){1|C<3>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)3	115.5380	0.115	2	115.5380	0.013	2	115.5380	0.013	2	115.5380	0.013	2	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	2:4:3:	3:3:	3:3:4:3:	N[6a]-2:C-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P[6]-4:C-3:	C[6a](N[6a]C[6a,6a])(CC[6a]P[6]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(P[6]O[6]2O)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(CC[6a]P[6]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(P[6]O[6]2O)(CC[6a]O)	115.7480	0.000	1	115.7480	0.000	1	115.7480	0.000	1	115.7480	0.000	1	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:1:1:1:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a])	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CH3){4|C<3>}	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a]){1|C<4>,2|C<3>}	C(C[6a]C[5,6a]N[6a])(H)3	116.2465	0.066	2	116.2465	0.004	2	116.2465	0.004	2	116.2338	1.960	16	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:1:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CH3){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]){1|C<4>,2|C<3>}	C(C[6a]C[6a,6a]N[6a])(H)3	113.7240	0.000	1	113.7240	0.000	1	113.7240	0.000	1	116.2338	1.960	16	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:Cl-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CClHH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(Cl)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CClHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(Cl)(H)2	115.1330	0.362	2	115.1330	0.131	2	115.1330	0.131	2	116.2338	1.960	16	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:F-1:F-1:F-1:	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(CF3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(CF3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>}	C(C[6a]C[6a]N[6a])(F)3	114.6350	0.000	1	114.6350	0.000	1	114.6350	0.000	1	116.2338	1.960	16	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CH3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>}	C(C[6a]C[6a]N[6a])(H)3	115.4695	0.011	2	115.4695	0.000	2	116.6041	1.005	9	116.2338	1.960	16	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CH3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]N[6a])(H)3	115.6080	0.000	1	115.6080	0.000	1	116.6041	1.005	9	116.2338	1.960	16	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3){1|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>}	C(C[6a]C[6a]N[6a])(H)3	117.0243	0.382	3	116.9132	0.260	5	116.6041	1.005	9	116.2338	1.960	16	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3){1|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>}	C(C[6a]C[6a]N[6a])(H)3	116.7465	0.810	2	116.9132	0.260	5	116.6041	1.005	9	116.2338	1.960	16	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CH3){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>}	C(C[6a]C[6a]N[6a])(H)3	118.3240	0.000	1	118.3240	0.000	1	116.6041	1.005	9	116.2338	1.960	16	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:1:1:1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(CH3)	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(CH3){1|C<3>,1|O<1>}	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>}	C(C[6a]N[6a]2)(H)3	119.1860	0.000	1	119.1860	0.000	1	119.1860	0.000	1	116.2338	1.960	16	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:O-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(ON)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(ON)(H)2	114.1120	0.000	1	114.1120	0.000	1	114.1120	0.000	1	114.1120	0.000	1	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:3:1:1:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CC[6a]HH)	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a])	C(C[6a]C[5,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CC[6a]HH){4|C<3>}	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a]){1|C<4>,2|C<3>}	C(C[6a]C[5,6a]N[6a])(C[6a]C[6a]2)(H)2	115.5740	0.303	2	115.5740	0.092	2	115.5740	0.092	2	116.2827	1.963	11	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:3:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CCHH)	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])	C(C[6a]C[6a,6a]N[6a])(CCN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CCHH){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]){1|C<4>,2|C<3>}	C(C[6a]C[6a,6a]N[6a])(CCN)(H)2	115.1550	0.000	1	115.1550	0.000	1	115.1550	0.000	1	116.2827	1.963	11	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC[6a]HH){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	118.4200	0.000	1	118.2817	0.014	3	118.2817	0.014	3	116.2827	1.963	11	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC[6a]HH){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	118.2125	0.002	2	118.2817	0.014	3	118.2817	0.014	3	116.2827	1.963	11	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHN)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCC)(H)2	115.5200	1.083	2	115.5200	1.174	2	115.5924	0.715	5	116.2827	1.963	11	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHN)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(NCH)(H)2	115.6407	0.913	3	115.6407	0.834	3	115.5924	0.715	5	116.2827	1.963	11	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:3:3:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CC[6a]2H)	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CC[6a]2H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2(H)	116.8190	0.000	1	116.8190	0.000	1	116.8190	0.000	1	116.8190	0.000	1	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:3:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC[6a]CH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC[6a]CH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	116.3142	1.604	4	116.3142	2.572	4	116.3142	2.572	4	116.3142	2.572	4	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:4:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]N[6a])(CCHH)	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]N[6a])(CCHH){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){3|C<3>}	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	115.0670	0.000	1	115.0670	0.000	1	115.0670	0.000	1	115.0670	0.000	1	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CCCH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CCCH){1|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>}	C(C[6a]C[6a]N[6a])(CH3)2(H)	115.0530	0.085	2	115.0530	0.007	2	115.0530	0.007	2	115.0530	0.007	2	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:4:4:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CH3)3	117.8530	0.000	1	116.7330	2.509	2	117.7138	1.496	5	117.7138	1.496	5	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:4:4:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|I<1>}	C(C[6a]C[6a]N[6a])(CH3)3	115.6130	0.000	1	116.7330	2.509	2	117.7138	1.496	5	117.7138	1.496	5	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:4:4:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(CH3)3	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC3){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>}	C(C[6a]C[6a]N[6a])(CH3)3	117.9590	0.000	1	118.3677	0.134	3	117.7138	1.496	5	117.7138	1.496	5	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:2:	3:4:4:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(CH3)3	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC3){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>}	C(C[6a]C[6a]N[6a])(CH3)3	118.5720	0.136	2	118.3677	0.134	3	117.7138	1.496	5	117.7138	1.496	5	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5,6a]C)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5,6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[5,6a]N[6a])(H)3	118.1305	0.340	4	118.0338	0.100	6	118.0338	0.100	6	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5,6a]C)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5,6a]C){1|C<4>,1|N<2>,1|S<4>,2|C<3>}	C(C[6a]C[5,6a]N[6a])(H)3	117.8405	0.200	2	118.0338	0.100	6	118.0338	0.100	6	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(CH3){1|N<3>,2|C<3>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5,6a]N[6a])(H)3	116.3180	0.000	1	116.3180	0.000	1	117.0343	0.491	3	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CH3){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C){1|Cl<1>,4|C<3>}	C(C[6a]C[5,6a]N[6a])(H)3	117.7180	0.000	1	117.3925	0.212	2	117.0343	0.491	3	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CH3){1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C){1|H<1>,4|C<3>}	C(C[6a]C[5,6a]N[6a])(H)3	117.0670	0.000	1	117.3925	0.212	2	117.0343	0.491	3	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a])(CH3){2|C<4>,4|C<3>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[5,6a]N[6a])(H)3	115.3455	0.821	2	115.3455	0.674	2	116.8130	1.514	6	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,2|H<1>,3|C<4>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C){1|C<3>,2|C<4>}	C(C[6a]C[5,6a]N[6a])(H)3	117.3800	0.000	1	117.3800	0.000	1	116.8130	1.514	6	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]N)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]N){1|C<4>,2|C<3>}	C(C[6a]C[5,6a]N[6a])(H)3	117.4660	0.000	1	117.4660	0.000	1	116.8130	1.514	6	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5,6a]C)(C[6a]N[6a]N)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[5,6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C(C[6a]C[5,6a]N[6a])(H)3	118.1020	0.000	1	118.1020	0.000	1	116.8130	1.514	6	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]C)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]C){1|C<3>,1|H<1>,3|C<4>}	C(C[6a]C[5,6a]N[6a])(H)3	117.2390	0.000	1	117.2390	0.000	1	116.8130	1.514	6	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[5a,6a])(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[5a,6a])(CH3){2|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C){1|C<4>,4|C<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	116.4380	0.000	1	116.4380	0.000	1	116.4380	0.000	1	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]N[6a])(F)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CF3){1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]N[6a])(F)3	114.6030	0.000	1	114.6030	0.000	1	114.6030	0.000	1	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a,6a])(CH3){2|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	117.9200	0.000	1	117.9200	0.000	1	118.4522	0.164	4	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CH3){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	118.5470	0.269	2	118.5470	0.072	2	118.4522	0.164	4	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	118.7950	0.000	1	118.7950	0.000	1	118.4522	0.164	4	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CF3)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C)	C(C[6a]C[5a,6a]N[6a])(F)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CF3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C){1|C<3>,1|N<3>}	C(C[6a]C[5a,6a]N[6a])(F)3	113.9780	0.000	1	113.9780	0.000	1	113.9780	0.000	1	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CH3){1|N<3>,4|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,4|C<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	116.7990	0.164	2	116.7990	0.027	2	118.5447	1.309	10	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3){2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	118.2050	0.841	2	118.2050	0.708	2	118.5447	1.309	10	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C(C[6a]C[5a,6a]N[6a])(H)3	118.8717	0.188	4	118.8717	0.035	4	118.5447	1.309	10	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a])(CH3){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]C){1|O<2>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	120.1850	0.000	1	120.1850	0.000	1	118.5447	1.309	10	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CH3){1|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	119.7670	0.000	1	119.7670	0.000	1	118.5447	1.309	10	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2){1|O<1>,4|C<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	116.6930	0.000	1	116.6930	0.000	1	118.1025	1.308	4	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]N[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]N[6a])(CH3){1|N<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2){1|O<1>,1|O<2>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	119.0540	0.000	1	119.0540	0.000	1	118.1025	1.308	4	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]N[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]N[6a])(CH3){1|N<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2){1|O<1>,1|S<2>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	117.6510	0.000	1	117.6510	0.000	1	118.1025	1.308	4	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]N[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]N[6a])(CH3){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H){1|C<3>,1|O<1>,1|S<2>}	C(C[6a]C[5a,6a]N[6a])(H)3	119.0120	0.000	1	119.0120	0.000	1	118.1025	1.308	4	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]C)	C(C[6a]C[6,6a]N[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(CH3){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6,6a]N[6a])(H)3	115.8815	0.544	2	116.2432	0.203	9	116.2432	0.203	9	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]C)	C(C[6a]C[6,6a]N[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6,6a]N[6a])(H)3	116.3466	0.407	7	116.2432	0.203	9	116.2432	0.203	9	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)	C(C[6a]C[6,6a]N[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3){1|C<4>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C){3|C<3>}	C(C[6a]C[6,6a]N[6a])(H)3	114.3847	0.643	3	114.3847	0.413	3	114.8722	2.382	10	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6,6a]N[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3){1|H<1>,1|N<4>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6,6a]N[6a])(H)3	112.8600	0.000	1	112.8600	0.000	1	114.8722	2.382	10	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]S)	C(C[6a]C[6,6a]N[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6,6a]N[6a])(H)3	114.4400	0.238	4	114.4400	0.057	4	114.8722	2.382	10	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6,6a]N[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(N[6a]C[6a])(CH3){1|H<1>,3|C<3>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6,6a]N[6a])(H)3	118.3100	0.000	1	118.3100	0.000	1	114.8722	2.382	10	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6,6a]C)	C(C[6a]C[6,6a]N[6a])(H)3	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6,6a]C){1|C<3>,1|S<2>,2|C<4>}	C(C[6a]C[6,6a]N[6a])(H)3	116.6380	0.000	1	116.6380	0.000	1	114.8722	2.382	10	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(CH3){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C){1|C<4>,1|N<2>,3|C<3>}	C(C[6a]C[6a,6a]N[6a])(H)3	114.2270	0.000	1	114.0600	0.056	2	115.2054	1.069	7	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(CH3){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C){1|N<2>,4|C<3>}	C(C[6a]C[6a,6a]N[6a])(H)3	113.8930	0.000	1	114.0600	0.056	2	115.2054	1.069	7	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(CH3)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(CH3){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]C){4|C<3>}	C(C[6a]C[6a,6a]N[6a])(H)3	115.3042	0.184	4	115.3042	0.034	4	115.2054	1.069	7	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(CH3){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C){1|C<2>,2|C<3>,2|N<2>}	C(C[6a]C[6a,6a]N[6a])(H)3	117.1010	0.000	1	117.1010	0.000	1	115.2054	1.069	7	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]N[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CF3){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]N[6a])(F)3	114.6530	0.000	1	114.6530	0.000	1	114.6530	0.000	1	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])(CH3){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]N[6a])(H)3	116.5430	0.035	2	116.5430	0.001	2	116.5430	0.001	2	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2){5|C<3>}	C(C[6a]C[6a,6a]N[6a])(H)3	115.8673	1.024	3	115.8673	1.048	3	115.9116	0.567	5	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3){1|C<2>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C){3|C<3>}	C(C[6a]C[6a,6a]N[6a])(H)3	115.6970	0.000	1	115.6970	0.000	1	115.9116	0.567	5	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C[5])	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C[5]){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[6a,6a]N[6a])(H)3	116.2590	0.000	1	116.2590	0.000	1	115.9116	0.567	5	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2)	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CH3){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2){1|O<1>,4|C<3>}	C(C[6a]C[6a,6a]N[6a])(H)3	115.5170	0.000	1	115.5170	0.000	1	115.5170	0.000	1	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	N[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5,6a])(CH3)	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5,6a])(CH3){1|B<4>,1|H<1>,3|C<3>}	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]C){1|C<4>,1|N<4>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a,6a]N[6a])(H)3	114.9730	0.000	1	114.9730	0.000	1	114.9730	0.000	1	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]N[6a])(CH3)	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]N[6a])(CH3){1|H<1>,4|C<3>}	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){5|C<3>}	C(C[6a]C[6a,6a]N[6a])(H)3	115.6630	0.000	1	115.6630	0.000	1	115.6630	0.000	1	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(CH3)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(CH3){4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C){1|N<2>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.7000	0.000	1	115.7000	0.000	1	115.7000	0.000	1	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CF3){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(F)3	114.2570	0.648	2	114.2570	0.420	2	114.2570	0.420	2	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(CH3){1|C<4>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.5767	0.792	3	116.5767	0.627	3	116.5767	0.627	3	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:Br-1:Br-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBr2H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(Br)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBr2H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(Br)2(H)	113.6150	0.000	1	113.6150	0.000	1	113.5845	0.002	2	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:Br-1:Br-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBr2H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(Br)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBr2H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(Br)2(H)	113.5540	0.000	1	113.5540	0.000	1	113.5845	0.002	2	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:Br-1:H-1:H-1:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(CBrHH)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(Br)(H)2	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(CBrHH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C){3|C<3>}	C(C[6a]C[6a]N[6a])(Br)(H)2	112.9070	0.000	1	112.9070	0.000	1	115.2192	0.953	11	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:Br-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(Br)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(Br)(H)2	115.5230	0.095	2	115.6397	0.045	3	115.2192	0.953	11	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:Br-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(Br)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(Br)(H)2	115.8730	0.000	1	115.6397	0.045	3	115.2192	0.953	11	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:Br-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(Br)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(Br)(H)2	115.8697	0.794	3	115.8697	0.630	3	115.2192	0.953	11	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:Br-1:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CBrHH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(Br)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CBrHH){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<4>}	C(C[6a]C[6a]N[6a])(Br)(H)2	114.9940	0.527	4	114.9940	0.278	4	115.2192	0.953	11	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:Cl-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(Cl)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(Cl)(H)2	115.7380	0.000	1	115.7380	0.000	1	116.0990	0.100	3	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:Cl-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClHH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(Cl)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(Cl)(H)2	116.2795	0.064	2	116.2795	0.004	2	116.0990	0.100	3	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CF3){1|C<4>,4|C<3>}	N[6a](C[6a]C[6a]C)2{3|C<3>}	C(C[6a]C[6a]N[6a])(F)3	113.3490	0.000	1	113.3490	0.000	1	113.4881	3.530	41	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(F)3	113.3080	0.000	1	113.3080	0.000	1	113.4881	3.530	41	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(F)3	112.8400	0.911	2	112.8400	0.829	2	113.4881	3.530	41	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(F)3	111.6550	0.000	1	111.5490	0.022	2	113.4881	3.530	41	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|N<3>,2|C<3>}	C(C[6a]C[6a]N[6a])(F)3	111.4430	0.000	1	111.5490	0.022	2	113.4881	3.530	41	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(F)3	114.1190	0.000	1	114.1190	0.000	1	113.4881	3.530	41	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(F)3	114.8793	0.549	3	114.8793	0.301	3	113.4881	3.530	41	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(F)3	113.4625	0.093	2	113.4625	0.009	2	113.4881	3.530	41	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(F)3	113.6850	0.000	1	113.6850	0.000	1	113.4881	3.530	41	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|Ir<6>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(F)3	115.5119	1.027	12	115.5119	1.055	12	113.4881	3.530	41	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(F)3	112.8090	0.000	1	112.8090	0.000	1	113.4881	3.530	41	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(F)3	115.0450	0.000	1	115.0450	0.000	1	113.4881	3.530	41	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<3>,1|H<1>,1|P<3>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]N[6a])(F)3	113.3210	0.000	1	113.3210	0.000	1	113.4881	3.530	41	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](C[6a]C[6a]Ir)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]Ir)(N[6a]C[6a])(CF3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|Ir<6>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(F)3	111.3484	0.672	12	111.3484	0.451	12	113.4881	3.530	41	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CF3){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(F)3	114.7130	0.000	1	114.7130	0.000	1	113.4881	3.530	41	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CFFH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(F)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CFFH){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(F)2(H)	113.6110	0.000	1	113.6110	0.000	1	113.6110	0.000	1	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:F-1:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CFHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(F)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CFHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(F)(H)2	116.1030	0.000	1	116.1030	0.000	1	116.1030	0.000	1	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.7075	0.291	2	116.4943	0.179	3	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.0680	0.000	1	116.4943	0.179	3	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[5,6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5,6a]O)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6a]N[6a])(H)3	118.2720	0.000	1	118.2720	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.3770	0.000	1	115.3770	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)2{3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.2770	0.000	1	115.2770	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C){3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.6495	0.018	2	115.6495	0.000	2	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3){1|N<3>,4|C<3>}	N[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]C){2|C<4>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	114.0460	0.308	4	114.0460	0.095	4	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.2010	0.000	1	115.2010	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CH3){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]C){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[6a]N[6a])(H)3	115.2815	0.426	4	115.2815	0.181	4	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a,6a]P)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a,6a]P)(N[6a]C[6a])(CH3){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C){1|P<4>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	111.7870	0.000	1	111.7870	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CH3){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.2415	0.291	2	115.2415	0.084	2	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CH3){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.6530	0.000	1	116.6530	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]C)2{3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	114.3360	0.000	1	114.3360	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.6410	0.000	1	115.9755	0.886	2	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){2|Br<1>,1|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.3100	0.000	1	115.9755	0.886	2	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.5745	0.203	2	115.6130	0.276	4	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	115.6515	0.883	2	115.6130	0.276	4	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	115.1610	0.000	1	115.1610	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.2150	0.000	1	115.9331	0.751	7	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){5|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.0785	0.879	2	115.9331	0.751	7	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.2800	0.000	1	115.9331	0.751	7	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	114.8340	0.000	1	115.9331	0.751	7	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.1670	0.000	1	115.9331	0.751	7	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.8790	0.000	1	115.9331	0.751	7	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C(C[6a]C[6a]N[6a])(H)3	114.7630	0.000	1	116.2608	0.596	6	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.5604	0.268	5	116.2608	0.596	6	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.9060	0.000	1	114.4965	4.542	4	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	111.7870	0.000	1	114.4965	4.542	4	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.1130	0.000	1	114.4965	4.542	4	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	114.1800	0.000	1	114.4965	4.542	4	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	111.7430	0.000	1	112.6025	1.477	2	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	113.4620	0.000	1	112.6025	1.477	2	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	111.0220	0.000	1	114.6850	6.033	4	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|S<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.1790	0.000	1	114.6850	6.033	4	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.7695	0.313	2	114.6850	6.033	4	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,2|C<4>}	C(C[6a]C[6a]N[6a])(H)3	114.2280	0.000	1	114.2280	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.6060	0.000	1	114.6044	1.186	8	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C(C[6a]C[6a]N[6a])(H)3	115.2995	0.019	2	114.6044	1.186	8	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C(C[6a]C[6a]N[6a])(H)3	115.7640	0.000	1	114.6044	1.186	8	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	113.7165	0.782	4	114.6044	1.186	8	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|C<2>}	C(C[6a]C[6a]N[6a])(H)3	117.6295	0.111	2	115.7959	0.459	80	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.7659	0.495	37	115.7959	0.459	80	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|C<4>}	C(C[6a]C[6a]N[6a])(H)3	116.0195	0.679	6	115.7959	0.459	80	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	114.8752	0.330	5	115.7959	0.459	80	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<2>,1|C<3>,1|O<2>}	C(C[6a]C[6a]N[6a])(H)3	116.3400	0.000	1	115.7959	0.459	80	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|C<2>}	C(C[6a]C[6a]N[6a])(H)3	116.6565	0.258	4	115.7959	0.459	80	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|C<4>}	C(C[6a]C[6a]N[6a])(H)3	115.3830	0.000	1	115.7959	0.459	80	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)2{3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.6350	0.626	22	115.7959	0.459	80	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]N[6a])(H)3	116.7400	0.000	1	115.7959	0.459	80	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){3|C<3>}	N[6a](C[6a]C[6a]C)2{1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.5250	0.000	1	115.7959	0.459	80	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	114.7840	0.000	1	114.7840	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<4>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.0128	0.324	5	114.4897	2.673	12	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<4>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.1533	0.505	3	114.4897	2.673	12	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){4|C<3>}	C(C[6a]C[6a]N[6a])(H)3	113.9380	0.000	1	114.4897	2.673	12	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	112.1380	0.975	3	114.4897	2.673	12	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.5810	0.000	1	115.5600	0.001	2	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.5390	0.000	1	115.5600	0.001	2	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)2{3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	114.7550	0.000	1	114.2592	0.148	5	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[6a](C[6a]C[6a]C)2{3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	114.1352	0.307	4	114.2592	0.148	5	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CH3){1|Ir<6>,1|N<3>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	113.1050	0.000	1	113.1050	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.7340	0.000	1	116.3810	0.249	2	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){2|Cl<1>,1|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.0280	0.000	1	116.3810	0.249	2	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|Cl<1>,1|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.7205	0.588	10	116.7205	0.346	10	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|F<1>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	118.3830	0.000	1	118.3830	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CH3){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|F<1>}	C(C[6a]C[6a]N[6a])(H)3	117.7160	0.000	1	117.7160	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.1470	0.000	1	116.1484	0.390	20	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.1485	0.642	19	116.1484	0.390	20	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.5683	0.616	3	116.4454	0.164	13	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.3590	0.435	5	116.4454	0.164	13	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.1960	0.000	1	116.4454	0.164	13	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.6640	0.154	3	116.4454	0.164	13	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.1020	0.000	1	116.4454	0.164	13	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|As<3>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	117.0705	0.159	2	116.7637	0.286	15	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|As<4>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.7165	0.560	13	116.7637	0.286	15	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(H)3	116.7130	0.000	1	116.7130	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.8273	1.147	4	116.9190	0.861	53	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	117.4130	0.000	1	116.9190	0.861	53	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.8310	0.058	2	116.9190	0.861	53	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|P<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	117.1600	0.000	1	116.9190	0.861	53	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	117.4750	0.000	1	116.9190	0.861	53	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(H)3	117.4710	1.927	3	116.9190	0.861	53	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.9461	1.031	11	116.9190	0.861	53	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.9841	0.877	23	116.9190	0.861	53	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.3189	0.523	7	116.9190	0.861	53	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]I)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|I<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]I){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(H)3	116.5957	0.523	3	116.5957	0.274	3	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	115.9879	0.432	7	116.2295	0.501	81	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.1800	0.000	1	116.2295	0.501	81	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.0787	0.691	19	116.2295	0.501	81	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	118.1330	0.000	1	116.2295	0.501	81	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(H)3	117.0320	0.000	1	116.2295	0.501	81	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.2824	0.693	51	116.2295	0.501	81	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.4320	0.000	1	116.2295	0.501	81	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.3390	0.000	1	116.7618	0.398	4	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(H)3	117.2615	0.426	2	116.7618	0.398	4	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.1850	0.000	1	116.7618	0.398	4	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|P<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.8020	0.265	4	115.6107	9.070	12	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|P<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	115.0150	3.606	8	115.6107	9.070	12	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	115.3101	1.171	8	115.7290	1.175	13	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.3595	0.189	2	115.7290	1.175	13	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|S<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.7040	0.000	1	115.7290	1.175	13	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|S<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.2865	0.832	2	115.7290	1.175	13	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.3162	0.668	4	115.7429	0.634	8	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	115.1695	0.395	4	115.7429	0.634	8	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<2>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	117.3515	0.718	2	116.5486	0.412	311	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.8353	0.471	12	116.5486	0.412	311	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.5647	0.550	176	116.5486	0.412	311	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,2|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.6979	0.649	10	116.5486	0.412	311	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	117.0331	0.270	8	116.5486	0.412	311	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.5754	0.626	73	116.5486	0.412	311	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	117.0547	0.727	4	116.5486	0.412	311	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.4811	0.441	14	116.5486	0.412	311	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.9070	0.000	1	116.5486	0.412	311	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.7010	0.000	1	116.5486	0.412	311	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	114.8702	0.406	10	116.5486	0.412	311	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	117.3920	0.000	1	116.9890	0.166	8	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.9940	0.000	1	116.9890	0.166	8	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.8625	0.091	2	116.9890	0.166	8	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.9502	0.563	4	116.9890	0.166	8	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.6022	0.525	32	116.5975	0.294	35	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|S<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	117.0120	0.410	2	116.5975	0.294	35	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|N<2>,1|O<2>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	115.6190	0.000	1	116.5975	0.294	35	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	117.2802	1.546	6	117.2818	1.496	121	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.2620	0.000	1	117.2818	1.496	121	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(H)3	117.2080	0.000	1	117.2818	1.496	121	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.7565	0.799	56	117.2818	1.496	121	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	118.4830	1.033	39	117.2818	1.496	121	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(H)3	116.5850	0.000	1	117.2818	1.496	121	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.3450	0.483	10	117.2818	1.496	121	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.3287	0.626	6	117.2818	1.496	121	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.7470	0.000	1	117.2818	1.496	121	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|Fe<10>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]N[6a])(H)3	116.5100	0.000	1	116.1950	1.140	3	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.0375	1.460	2	116.1950	1.140	3	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C(C[6a]C[6a]N[6a])(H)3	117.6780	0.000	1	117.1195	1.023	13	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){3|C<3>,3|H<1>}	C(C[6a]C[6a]N[6a])(H)3	117.0440	0.000	1	117.1195	1.023	13	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	117.1105	1.414	2	117.1195	1.023	13	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	117.0679	1.114	9	117.1195	1.023	13	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.6010	0.628	2	116.4107	0.306	3	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.0300	0.000	1	116.4107	0.306	3	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C){1|Ge<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	114.7770	0.017	2	115.2455	0.398	4	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C){2|As<3>,1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	115.7140	0.563	2	115.2455	0.398	4	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.1850	0.000	1	116.1850	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.7820	0.000	1	116.7820	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	117.2640	0.000	1	116.4166	0.279	5	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.2047	0.269	4	116.4166	0.279	5	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|N<2>}	C(C[6a]C[6a]N[6a])(H)3	117.0940	0.484	4	116.9309	0.138	9	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.8298	0.253	4	116.9309	0.138	9	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.6830	0.000	1	116.9309	0.138	9	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]Sb)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Sb<3>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Sb)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.3293	0.638	6	116.3293	0.407	6	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Si<4>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.6868	0.173	5	116.6868	0.030	5	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]Sn)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Sn<3>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Sn)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.8397	0.468	3	116.8397	0.219	3	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.2057	0.266	4	116.2992	0.747	9	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.9062	0.112	4	116.2992	0.747	9	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|O<1>,2|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	114.2450	0.000	1	116.2992	0.747	9	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.0004	0.111	5	116.0004	0.012	5	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|N<2>,2|C<4>}	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]C){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]N[6a])(H)3	116.9377	0.342	8	116.9377	0.117	8	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|N<2>,2|C<4>}	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C){1|C<3>,2|H<1>,2|N<3>}	C(C[6a]C[6a]N[6a])(H)3	117.1785	0.192	2	117.1785	0.037	2	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	114.8970	0.000	1	115.2555	0.257	2	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Cl<2>,1|C<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	115.6140	0.000	1	115.2555	0.257	2	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.7745	0.242	4	116.8646	0.084	5	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]N[6a])(H)3	117.2250	0.000	1	116.8646	0.084	5	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]N[6a])(H)3	115.8370	0.000	1	115.8370	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Se<2>,1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]C){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.3100	0.115	2	116.3100	0.013	2	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|P<3>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.6130	0.000	1	116.5560	0.006	2	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|P<4>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]C){1|Pt<4>,1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	116.4990	0.000	1	116.5560	0.006	2	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(H)3	116.8740	0.000	1	116.8740	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(CH3){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.5840	0.000	1	116.5840	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CH3){4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	115.4412	0.826	4	115.4412	0.683	4	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|Br<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(H)3	117.1610	0.656	2	117.1610	0.431	2	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6a]N[6a])(H)3	117.9065	0.179	2	118.5890	0.302	14	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6a]N[6a])(H)3	118.7027	0.506	12	118.5890	0.302	14	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6a]N[6a])(H)3	116.7280	0.000	1	117.4190	0.955	2	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6a]N[6a])(H)3	118.1100	0.000	1	117.4190	0.955	2	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<2>,1|C<3>,1|O<2>}	C(C[6a]C[6a]N[6a])(H)3	116.6310	0.000	1	116.6310	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CH3){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|S<2>}	C(C[6a]C[6a]N[6a])(H)3	116.0250	0.232	2	116.0250	0.054	2	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(CH3){1|O<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(H)3	115.6500	0.000	1	115.6500	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C(C[6a]C[6a]N[6a])(H)3	117.0350	0.000	2	117.0350	0.000	2	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>}	C(C[6a]C[6a]N[6a])(H)3	116.8820	0.000	2	116.8528	1.725	14	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(H)3	115.1203	0.747	3	116.8528	1.725	14	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(H)3	117.3649	1.141	8	116.8528	1.725	14	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<4>}	C(C[6a]C[6a]N[6a])(H)3	117.8950	0.000	1	116.8528	1.725	14	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<4>,1|N<2>}	C(C[6a]C[6a]N[6a])(H)3	117.6530	0.000	1	117.6530	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<2>,1|C<4>,1|N<2>}	C(C[6a]C[6a]N[6a])(H)3	117.4452	0.491	5	117.4938	0.272	364	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<4>}	C(C[6a]C[6a]N[6a])(H)3	117.4933	0.517	353	117.4938	0.272	364	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<2>}	C(C[6a]C[6a]N[6a])(H)3	117.5625	0.842	6	117.4938	0.272	364	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<3>,1|C<4>,2|N<2>}	C(C[6a]C[6a]N[6a])(H)3	117.9590	0.250	2	117.4982	0.828	4	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<4>,3|N<2>}	C(C[6a]C[6a]N[6a])(H)3	117.9240	0.000	1	117.4982	0.828	4	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)3	116.1510	0.000	1	117.4982	0.828	4	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|N<2>,1|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)3	118.1990	0.000	1	118.1990	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(CH3){2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C(C[6a]C[6a]N[6a])(H)3	117.6810	0.000	1	117.6810	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(H)3	118.1515	0.434	6	118.3577	0.390	26	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(H)3	118.3649	0.639	19	118.3577	0.390	26	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	119.4580	0.000	1	118.3577	0.390	26	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]N[6a])(H)3	117.4445	0.015	2	117.4445	0.000	2	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|H<1>,1|N<3>,1|O<1>}	C(C[6a]C[6a]N[6a])(H)3	115.8620	0.000	1	118.8984	1.459	17	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<4>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(H)3	117.7660	0.000	1	118.8984	1.459	17	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)3	118.3305	0.473	6	118.8984	1.459	17	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(H)3	119.7402	0.652	9	118.8984	1.459	17	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|H<1>,1|N<3>,1|O<1>}	C(C[6a]C[6a]N[6a])(H)3	119.6160	0.000	1	119.6160	0.000	1	116.7931	1.275	1424	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)2(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)2(O)	115.8535	0.807	6	115.8535	0.651	6	115.8901	0.552	7	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(H)2(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)2(O)	116.1100	0.000	1	116.1100	0.000	1	115.8901	0.552	7	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]C){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]N[6a])(H)3	116.0440	0.245	2	116.0440	0.060	2	116.5613	0.833	3	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CH3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]N[6a])(H)3	117.5960	0.000	1	117.5960	0.000	1	116.5613	0.833	3	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CH3)	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CH3){1|C<3>,1|C<4>}	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(H)3	118.3100	0.000	1	118.3100	0.000	1	118.3100	0.000	1	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	N[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]C)	C(C[6a]N[5a,6a]N[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(CH3){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]C){1|N<2>,4|C<3>}	C(C[6a]N[5a,6a]N[6a])(H)3	122.7540	0.395	2	122.7540	0.156	2	122.7540	0.156	2	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	N[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)	C(C[6a]N[5a,6a]N[6a])(F)3	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(CF3){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C){1|H<1>,4|C<3>}	C(C[6a]N[5a,6a]N[6a])(F)3	114.3520	0.000	1	114.3520	0.000	1	114.3520	0.000	1	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	N[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)	C(C[6a]N[5a,6a]N[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3){1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C){1|H<1>,4|C<3>}	C(C[6a]N[5a,6a]N[6a])(H)3	118.6795	0.175	2	118.6795	0.031	2	118.6795	0.031	2	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	N[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CH3)	N[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]2)	C(C[6a]N[5a,6a]N[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CH3){2|N<2>,3|C<3>}	N[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C(C[6a]N[5a,6a]N[6a])(H)3	120.8230	0.000	1	120.8230	0.000	1	120.8230	0.000	1	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	N[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a,6a]C)(C[6a]N[6a]N)	C(C[6a]N[6a,6a]N[6a])(H)3	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<1>,2|N<2>}	N[6a](C[6a]N[6a,6a]C)(C[6a]N[6a]N){2|C<3>}	C(C[6a]N[6a,6a]N[6a])(H)3	116.3310	0.000	1	116.3310	0.000	1	116.3310	0.000	1	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	N[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:F-1:F-1:F-1:	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CF3){1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]N[6a]2)(F)3	116.3900	0.000	1	116.3900	0.000	1	116.3900	0.000	1	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	N[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a]N[6])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]N[6])(N[6a]C[6a,6a])(CH3){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]N[6a]2)(H)3	120.9630	0.000	2	120.9630	0.000	2	120.9630	0.000	2	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,2|C<4>}	C(C[6a]N[6a]2)(H)3	117.9980	0.000	1	118.5837	0.330	4	119.8330	1.743	9	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]N[6a]2)(H)3	118.7790	0.516	3	118.5837	0.330	4	119.8330	1.743	9	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,2|H<1>}	C(C[6a]N[6a]2)(H)3	120.5853	0.719	3	120.8243	0.573	4	119.8330	1.743	9	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]N[6a]2)(H)3	121.5410	0.000	1	120.8243	0.573	4	119.8330	1.743	9	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|H<1>,2|C<3>}	C(C[6a]N[6a]2)(H)3	120.8650	0.000	1	120.8650	0.000	1	119.8330	1.743	9	116.7054	1.837	1592	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC)(H)2	115.7583	1.097	10	115.7583	1.204	10	116.0437	1.558	14	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NN)(H)2	117.6460	0.000	1	117.6460	0.000	1	116.0437	1.558	14	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC)(H)2	118.3590	0.000	1	118.3590	0.000	1	116.0437	1.558	14	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NP)(H)2	115.5120	0.346	2	115.5120	0.120	2	116.0437	1.558	14	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:Br-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(OH)(Br)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OH)(Br)(H)	114.7280	0.000	1	114.7280	0.000	1	114.7280	0.000	1	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CHHO){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	115.1770	0.445	2	115.1770	0.198	2	115.3323	2.234	93	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC)(H)2	114.2217	0.781	6	114.2217	0.610	6	115.3323	2.234	93	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	113.5500	1.251	4	113.5500	1.564	4	115.3323	2.234	93	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC)(H)2	115.5927	1.991	6	115.5927	3.966	6	115.3323	2.234	93	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OC[6])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC[6])(H)2	117.0165	0.084	2	117.0165	0.007	2	115.3323	2.234	93	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	115.0046	1.430	12	115.0046	2.045	12	115.3323	2.234	93	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(OH)(H)2	116.1230	0.000	1	115.2455	1.540	2	115.3323	2.234	93	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OH)(H)2	114.3680	0.000	1	115.2455	1.540	2	115.3323	2.234	93	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	113.0480	0.000	1	113.0480	0.000	1	115.3323	2.234	93	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OH)(H)2	115.2165	1.515	2	115.2165	2.296	2	115.3323	2.234	93	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|N<3>,1|O<1>,1|S<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC)(H)2	114.0470	0.000	1	114.0470	0.000	1	115.3323	2.234	93	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC)(H)2	115.1352	1.087	13	115.1352	1.182	13	115.3323	2.234	93	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	116.0323	1.476	19	116.0323	2.177	19	115.3323	2.234	93	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OH)(H)2	115.3285	0.733	4	115.3312	0.884	8	115.3323	2.234	93	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OH)(H)2	115.3340	1.235	4	115.3312	0.884	8	115.3323	2.234	93	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(ON)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(ON)(H)2	116.4177	2.016	7	116.4177	4.066	7	115.3323	2.234	93	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OP)(H)2	113.7905	1.305	2	113.7905	1.702	2	115.3323	2.234	93	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OS)(H)2	116.1510	0.000	1	116.1510	0.000	1	115.3323	2.234	93	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OH)(H)2	114.8350	0.000	1	114.8350	0.000	1	115.3323	2.234	93	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OH)(H)2	113.6810	0.000	1	113.6810	0.000	1	115.3323	2.234	93	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(OH)(H)2	117.3790	0.000	1	117.3790	0.000	1	115.3323	2.234	93	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<4>}	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	115.8925	0.112	2	115.8925	0.013	2	115.3323	2.234	93	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(SC[5a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(SC[5a])(H)2	115.6885	0.757	2	115.6885	0.574	2	116.2588	1.133	63	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(SC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(SC)(H)2	114.7320	0.755	2	115.5096	0.813	5	116.2588	1.133	63	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(SC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(SC)(H)2	116.0280	0.577	3	115.5096	0.813	5	116.2588	1.133	63	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(SC[5])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(SC[5])(H)2	114.7895	1.408	2	114.7895	1.982	2	116.2588	1.133	63	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	115.8626	1.641	5	115.8626	2.694	5	116.2588	1.133	63	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(SC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|Br<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(SC)(H)2	116.3630	0.198	2	116.4471	0.374	18	116.2588	1.133	63	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(SC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(SC)(H)2	116.5084	0.679	14	116.4471	0.374	18	116.2588	1.133	63	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(SC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(SC)(H)2	116.1025	0.120	2	116.4471	0.374	18	116.2588	1.133	63	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(SC[5])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(SC[5])(H)2	117.2400	0.000	1	117.2400	0.000	1	116.2588	1.133	63	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	116.1885	0.569	11	116.2290	0.296	13	116.2588	1.133	63	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	116.4520	0.447	2	116.2290	0.296	13	116.2588	1.133	63	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(SC)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHS){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<4>}	C(C[6a]C[6a]N[6a])(SC)(H)2	115.9422	0.351	6	115.9422	0.123	6	116.2588	1.133	63	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHS){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<4>}	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	116.1015	0.866	8	116.1015	0.749	8	116.2588	1.133	63	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:H-1:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	119.2533	0.086	3	119.2533	0.007	3	116.2588	1.133	63	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:Se-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeHH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(SeC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(SeC)(H)2	116.9790	0.262	2	116.9790	0.068	2	116.2860	0.734	4	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:Se-2:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeHH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(SeC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(SeC[6a])(H)2	115.5930	0.461	2	115.5930	0.213	2	116.2860	0.734	4	115.7411	1.920	175	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CHOO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)2(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CHOO){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)2(H)	117.0220	0.000	1	117.0220	0.000	1	117.0220	0.000	1	115.5567	2.081	4	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHOO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OC)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(OC)2(H)	114.7240	0.000	1	114.7240	0.000	1	115.0683	1.690	3	115.5567	2.081	4	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHOO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OC[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHOO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC[6a])2(H)	115.2405	1.790	2	115.2405	3.203	2	115.0683	1.690	3	115.5567	2.081	4	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:2:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:S-2:S-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CS3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(SC)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CS3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(SC)3	113.6000	0.000	1	113.6000	0.000	1	113.9065	0.188	2	113.9065	0.188	2	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:2:2:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:S-2:S-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CS3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(SC[6a])3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CS3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(SC[6a])3	114.2130	0.000	1	114.2130	0.000	1	113.9065	0.188	2	113.9065	0.188	2	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[6a]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[6a]HH){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)2	118.3983	0.643	4	118.3983	0.413	4	118.3983	0.413	4	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CC[6a]HH){1|C<4>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)2	115.4520	0.000	1	115.4520	0.000	1	115.4520	0.000	1	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:F-1:F-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CCFF)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]N[6a])(COO)(F)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CCFF){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]N[6a])(COO)(F)2	112.9100	0.000	2	112.9100	0.000	2	112.9100	0.000	2	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:F-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[6a]FF)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(F)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[6a]FF){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(F)2	114.2920	0.000	1	114.2920	0.000	1	114.2920	0.000	1	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]HH){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)2	116.0520	0.000	1	116.0520	0.000	1	115.9160	0.037	2	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]N[5])	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]N[5]){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)2	115.7800	0.000	1	115.7800	0.000	1	115.9160	0.037	2	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]N[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CHHN){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]N[6a])(NCC)(H)2	115.7849	1.055	17	115.7849	1.113	17	115.7849	1.113	17	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[6])(N[6a]C[5,6a])(CC[6a]HH)	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6])(N[6a]C[5,6a])(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C){1|C<4>,2|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	114.3320	0.000	1	114.3320	0.000	1	114.3320	0.000	1	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CN[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CN[6]HH){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	117.1070	0.694	2	117.1070	0.482	2	117.1070	0.482	2	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]N[6a])(H)2	116.9680	0.000	1	116.9680	0.000	1	116.9680	0.000	1	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC[5a]HH)	N[6a](C[6a]C[6a]C)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC[5a]HH){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<4>,1|H<1>,1|N<2>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	119.0370	0.000	1	119.0370	0.000	1	119.0370	0.000	1	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(COO)(H)2	116.4690	0.000	1	116.4905	0.001	2	116.2919	0.579	14	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(COO)(H)2	116.5120	0.000	1	116.4905	0.001	2	116.2919	0.579	14	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCN)(H)2	116.5010	0.191	2	116.5010	0.036	2	116.2919	0.579	14	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6]N)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6]N)(H)2	117.1713	0.488	3	117.1713	0.238	3	116.2919	0.579	14	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6]P)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6]P)(H)2	114.9930	0.000	1	114.9930	0.000	1	116.2919	0.579	14	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)2	115.7713	0.915	3	115.7713	0.837	3	116.2919	0.579	14	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CNO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CNO)(H)2	116.4300	0.000	1	116.4300	0.000	1	116.2919	0.579	14	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]O)(H)2	116.1050	0.000	1	116.1050	0.000	1	116.2919	0.579	14	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CNO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CNO)(H)2	115.7480	0.000	1	115.7480	0.000	1	116.2919	0.579	14	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5a]C[5a]2)(H)2	113.7290	0.000	1	113.7290	0.000	1	113.7290	0.000	1	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)2	117.8880	0.000	1	117.8880	0.000	1	115.9414	1.914	5	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)2	115.4548	0.986	4	115.4548	0.973	4	115.9414	1.914	5	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:F-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]FF)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(F)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]FF){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(F)2	114.2420	0.000	1	114.2420	0.000	1	114.2420	0.000	1	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|H<1>,3|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){4|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	113.9480	0.404	2	113.9480	0.164	2	116.2678	2.489	30	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	116.6238	1.442	4	116.6238	2.079	4	116.2678	2.489	30	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	113.5730	0.495	2	113.5730	0.245	2	116.2678	2.489	30	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	118.2640	0.667	3	116.5166	6.131	5	116.2678	2.489	30	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	113.8955	0.856	2	116.5166	6.131	5	116.2678	2.489	30	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	115.8680	0.000	1	116.2047	0.608	3	116.2678	2.489	30	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	116.3730	1.022	2	116.2047	0.608	3	116.2678	2.489	30	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])2(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])2(H)2	117.2145	0.050	2	117.2145	0.003	2	116.2678	2.489	30	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	116.8130	0.000	1	116.8130	0.000	1	116.2678	2.489	30	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	115.9610	0.113	3	115.9610	0.013	3	116.2678	2.489	30	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])2(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])2(H)2	116.5302	0.405	6	116.5302	0.164	6	116.2678	2.489	30	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	118.2520	0.000	1	118.2520	0.000	1	116.2678	2.489	30	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CC[6a]HH){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	118.7410	0.000	1	118.7410	0.000	1	116.2678	2.489	30	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	115.7350	0.000	1	115.7350	0.000	1	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCC)(H)2	113.3880	0.000	1	113.3880	0.000	1	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCC)(H)2	116.4827	1.319	101	116.4827	1.740	101	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCH)(H)2	115.8647	1.407	50	115.8647	1.979	50	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCN)(H)2	115.6500	0.000	1	115.6500	0.000	1	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCP)(H)2	115.0516	2.158	10	115.0516	4.656	10	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCS)(H)2	115.6550	1.285	5	115.6550	1.651	5	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[4a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[4a]C)(H)2	116.0665	1.400	6	116.0665	1.960	6	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[4a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[4a]H)(H)2	116.2935	1.187	2	116.2935	1.410	2	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[5a]C[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[5a]C[6a])(H)2	119.3330	0.000	1	119.3330	0.000	1	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[5a]H)(H)2	116.0810	2.100	2	116.0810	4.410	2	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[5a]Ir)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[5a]Ir)(H)2	113.2850	0.000	1	113.2850	0.000	1	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	116.6618	1.184	5	116.6618	1.401	5	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]H)(H)2	117.4894	1.135	5	117.4894	1.288	5	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	116.2463	2.088	36	116.2463	4.360	36	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]C[6])(H)2	114.2150	0.000	1	114.2150	0.000	1	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	115.2104	1.325	24	115.2104	1.756	24	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCoC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCoC)(H)2	117.0475	3.017	2	117.0475	9.104	2	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCuC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCuC)(H)2	114.7180	1.033	5	114.7180	1.067	5	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NHS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHS)(H)2	116.2773	1.300	6	116.2773	1.691	6	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NNiC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NNiC)(H)2	115.9060	0.000	1	115.9060	0.000	1	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NPP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NPP)(H)2	111.1130	0.000	1	111.1130	0.000	1	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NRhC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NRhC)(H)2	114.5790	0.313	2	114.5790	0.098	2	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NZnC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NZnC)(H)2	117.1680	0.000	1	117.1680	0.000	1	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCC)(H)2	114.6240	0.000	1	115.5672	1.009	6	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCC)(H)2	115.7558	0.997	5	115.5672	1.009	6	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	117.4920	0.000	1	117.4920	0.000	1	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(NCC)(H)2	116.2940	0.918	4	116.2940	0.844	4	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCC)(H)2	116.0880	1.082	6	116.1760	1.633	24	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCC)(H)2	116.2951	1.535	11	116.1760	1.633	24	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCC)(H)2	116.0644	1.145	7	116.1760	1.633	24	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCH)(H)2	117.1390	1.662	12	116.8811	1.613	25	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCH)(H)2	116.6500	0.536	10	116.8811	1.613	25	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCH)(H)2	116.6197	1.451	3	116.8811	1.613	25	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NCS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCS)(H)2	114.4595	0.394	2	114.4595	0.155	2	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[5]H)(H)2	115.1550	1.552	6	115.1550	2.410	6	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	115.2290	0.000	1	115.9385	1.007	2	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	116.6480	0.000	1	115.9385	1.007	2	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]2)(H)2	114.2960	0.000	1	114.2960	0.000	1	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	117.5069	1.404	11	117.5069	1.971	11	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NIrC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NIrC)(H)2	113.6930	0.000	1	113.6930	0.000	1	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCC)(H)2	116.8840	0.000	1	116.8840	0.000	1	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a]C[6])(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(NC[6a]C[6])(H)2	113.4860	0.000	1	113.4860	0.000	1	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CHHN){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(NCH)(H)2	116.1753	0.233	4	116.1753	0.054	4	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<4>}	C(C[6a]C[6a]N[6a])(NCC)(H)2	116.9285	0.565	2	116.9285	0.319	2	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<4>}	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	116.4395	0.824	2	116.4395	0.679	2	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCC)(H)2	117.1417	1.507	10	117.1417	2.271	10	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCH)(H)2	115.8725	0.524	2	115.8725	0.275	2	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	118.3160	0.505	4	118.3160	0.255	4	116.1893	2.460	379	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	116.6728	0.687	5	116.1116	1.705	7	115.9434	3.043	67	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	114.7085	1.681	2	116.1116	1.705	7	115.9434	3.043	67	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	116.3731	1.584	7	116.3731	2.509	7	115.9434	3.043	67	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	115.7230	0.000	1	115.9315	3.359	37	115.9434	3.043	67	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	115.9373	1.858	36	115.9315	3.359	37	115.9434	3.043	67	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]N[5])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]N[5])(H)2	117.7190	0.000	1	117.7190	0.000	1	115.9434	3.043	67	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	116.3240	0.932	2	116.3240	0.869	2	115.9434	3.043	67	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	117.3320	0.064	2	117.3320	0.004	2	115.9434	3.043	67	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	115.1195	1.936	11	115.1195	3.750	11	115.9434	3.043	67	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN[5a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	113.8495	0.326	2	113.8495	0.106	2	115.1532	1.849	35	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[5a]B[5a]C[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]B[5a]C[5a])(H)2	115.0150	0.000	1	115.0150	0.000	1	115.1532	1.849	35	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]2)(H)2	113.9630	0.444	3	113.9630	0.197	3	115.1532	1.849	35	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	115.1231	1.514	11	115.1231	2.291	11	115.1532	1.849	35	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	115.3164	1.850	7	115.3164	3.422	7	115.1532	1.849	35	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(H)2	116.1470	0.000	1	116.1470	0.000	1	115.1532	1.849	35	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	115.9977	0.363	4	115.9977	0.132	4	115.1532	1.849	35	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	115.3422	1.150	6	115.3422	1.322	6	115.1532	1.849	35	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	114.6600	0.000	1	116.4233	1.528	11	116.6275	1.532	22	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	116.5996	1.148	10	116.4233	1.528	11	116.6275	1.532	22	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	116.8316	1.264	11	116.8316	1.598	11	116.6275	1.532	22	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(PC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PC[6a]C)(H)2	117.1455	0.156	2	117.1455	0.024	2	116.3608	0.745	5	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(PCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PCC)(H)2	115.8377	0.672	3	115.8377	0.452	3	116.3608	0.745	5	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:S-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(SC[5a]O)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(SC[5a]O)(H)2	114.2030	0.000	1	114.2780	0.003	5	114.2780	0.003	5	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:S-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(SC[5a]O)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(SC[5a]O)(H)2	114.2490	0.000	1	114.2780	0.003	5	114.2780	0.003	5	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:S-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(SC[5a]O)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C(C[6a]C[6a]N[6a])(SC[5a]O)(H)2	114.3127	0.035	3	114.2780	0.003	5	114.2780	0.003	5	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(N[5]C[5,6a]Si[5])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(N[5]C[5,6a]Si[5])(C[6a]C[6a]N[6a])(H)2	113.8775	0.214	2	113.8775	0.046	2	113.8775	0.046	2	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]N[6a])(H)2	114.0360	0.000	1	114.0360	0.000	1	115.6185	3.136	13	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(N[5a]C[5a,6a]As[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]As[5a])(C[6a]C[6a]N[6a])(H)2	115.1580	0.000	1	115.1580	0.000	1	115.6185	3.136	13	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	116.1946	1.947	7	116.1946	3.790	7	115.6185	3.136	13	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	112.7260	0.000	1	112.7260	0.000	1	115.6185	3.136	13	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[6a](C[6a]C[6a]C)2	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	115.8090	0.000	1	115.8090	0.000	1	115.6185	3.136	13	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[6a](C[6a]C[6a]C)2	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H)2	115.9750	1.092	2	115.9750	1.192	2	115.6185	3.136	13	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]N[6a])(H)2	114.0820	0.000	1	114.0820	0.000	1	114.0820	0.000	1	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	118.5890	0.000	1	118.5890	0.000	1	118.5890	0.000	1	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(NOO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CHHN){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]C){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]N[6a]2)(NOO)(H)2	117.4950	0.000	1	117.4950	0.000	1	117.4950	0.000	1	116.0781	2.495	614	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:2:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CC[6a]HO)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CC[6a]HO){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){2|C<3>}	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	117.1490	0.000	1	117.1490	0.000	1	117.1490	0.000	1	116.2960	2.707	21	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:2:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[6a]HO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[6a]HO){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	114.5305	0.077	2	114.5305	0.006	2	114.5305	0.006	2	116.2960	2.707	21	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(OH)(H)	117.7170	0.000	1	117.7170	0.000	1	116.3130	3.942	2	116.2960	2.707	21	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(OH)(H)	114.9090	0.000	1	114.9090	0.000	1	116.3130	3.942	2	116.2960	2.707	21	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:O-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]C)(OC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]C)(OC)(H)	114.5460	0.065	2	114.5460	0.004	2	114.6890	0.063	3	116.2960	2.707	21	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:O-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CNO)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CNO)(OH)(H)	114.9750	0.000	1	114.9750	0.000	1	114.6890	0.063	3	116.2960	2.707	21	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:O-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(OH)(H)	115.5190	0.000	1	115.5190	0.000	1	115.5190	0.000	1	116.2960	2.707	21	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CN)(H)	115.6820	0.000	1	115.6820	0.000	1	115.6820	0.000	1	116.2960	2.707	21	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	115.9541	0.369	7	115.9541	0.136	7	115.9541	0.136	7	116.2960	2.707	21	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:2:1:	N[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:O-2:H-1:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(CCHO)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CCO)(OC)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(CCHO){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){2|H<1>,3|C<3>}	C(C[6a]N[6a]2)(CCO)(OC)(H)	119.1085	0.604	4	119.1085	0.365	4	119.1085	0.365	4	116.2960	2.707	21	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[5a]HN)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]N[6a])(C[5a]N[5a]2)(NCH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[5a]HN){1|H<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[5a,6a]N[6a])(C[5a]N[5a]2)(NCH)(H)	116.0820	0.000	1	116.0820	0.000	1	116.0820	0.000	1	115.5765	2.630	43	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(H)	115.6637	0.563	7	115.6637	0.317	7	115.6637	0.317	7	115.5765	2.630	43	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]2H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]2H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C){3|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	114.6610	0.000	1	114.6610	0.000	1	115.5980	3.313	8	115.5765	2.630	43	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	116.6990	2.639	2	116.6990	6.964	2	115.5980	3.313	8	115.5765	2.630	43	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])3(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])3(H)	114.8530	1.608	4	114.8530	2.587	4	115.5980	3.313	8	115.5765	2.630	43	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])3(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])3(H)	117.3130	0.000	1	117.3130	0.000	1	115.5980	3.313	8	115.5765	2.630	43	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	113.9210	0.000	1	113.9210	0.000	1	115.8157	1.795	6	115.5765	2.630	43	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	117.5990	0.000	1	117.5990	0.000	1	115.8157	1.795	6	115.5765	2.630	43	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])2(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])2(NC[6a]H)(H)	116.5595	0.193	2	116.5595	0.037	2	115.8157	1.795	6	115.5765	2.630	43	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])2(NHS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])2(NHS)(H)	115.1275	0.334	2	115.1275	0.112	2	115.8157	1.795	6	115.5765	2.630	43	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCH)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCH)2(H)	118.2480	0.000	1	118.2480	0.000	1	115.1914	1.973	8	115.5765	2.630	43	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[5a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[5a]H)2(H)	114.7070	0.000	1	114.7070	0.000	1	115.1914	1.973	8	115.5765	2.630	43	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(NC[6]H)(H)	115.3790	0.000	1	115.3790	0.000	1	115.1914	1.973	8	115.5765	2.630	43	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)2(H)	114.6394	0.818	5	114.6394	0.669	5	115.1914	1.973	8	115.5765	2.630	43	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]2H)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(N[5]C[5]N[5])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]2H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]N[5])2(H)	113.4780	0.829	4	113.4780	0.687	4	113.4780	0.687	4	115.5765	2.630	43	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	112.9970	0.000	1	113.3120	0.198	2	116.3809	4.358	8	115.5765	2.630	43	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	113.6270	0.000	1	113.3120	0.198	2	116.3809	4.358	8	115.5765	2.630	43	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	117.4038	1.019	6	117.4038	1.039	6	116.3809	4.358	8	115.5765	2.630	43	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-3:P-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHPP)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(PCC)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHPP){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PCC)2(H)	117.8950	0.000	1	117.8950	0.000	1	117.8950	0.000	1	115.5765	2.630	43	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]2O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5]N[5]2)2(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]2O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5]N[5]2)2(OC)	112.4530	1.007	2	112.4530	1.014	2	112.4530	1.014	2	115.3614	4.214	49	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OC)	116.4310	0.000	1	116.4310	0.000	1	115.2215	4.821	12	115.3614	4.214	49	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OH)	115.0697	0.968	4	115.0697	0.937	4	115.2215	4.821	12	115.3614	4.214	49	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OMo)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OMo)	117.9817	1.258	3	117.9817	1.582	3	115.2215	4.821	12	115.3614	4.214	49	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OH)	113.0008	0.987	4	113.0008	0.974	4	115.2215	4.821	12	115.3614	4.214	49	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2N)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])3(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2N){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])3(NC)	116.4858	1.633	6	116.4858	2.666	6	116.4858	2.666	6	115.3614	4.214	49	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])3(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])3(OH)	117.1455	3.252	2	117.1455	10.575	2	115.3872	3.934	29	115.3614	4.214	49	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(OH)	114.2170	0.000	1	114.2170	0.000	1	115.3872	3.934	29	115.3614	4.214	49	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)(OH)	115.2435	1.970	22	115.2435	3.882	22	115.3872	3.934	29	115.3614	4.214	49	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])3(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])3(OH)	115.2167	2.023	3	115.2167	4.092	3	115.3872	3.934	29	115.3614	4.214	49	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])3(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])3(OH)	116.7140	0.000	1	116.7140	0.000	1	115.3872	3.934	29	115.3614	4.214	49	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:O-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OMoH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OMoH)	114.5077	2.581	3	114.5077	6.664	3	114.5077	6.664	3	115.1148	6.098	8	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])4	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])4	118.4650	0.000	1	118.4650	0.000	1	118.4650	0.000	1	115.1148	6.098	8	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2N)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])3(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2N){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])3(NCH)	115.5173	2.127	3	115.5173	4.525	3	115.5173	4.525	3	115.1148	6.098	8	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-3:N-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NOO)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(NOO)3	112.3780	0.000	1	112.3780	0.000	1	112.3780	0.000	1	115.1148	6.098	8	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2C)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(CH3)	114.4380	0.000	1	114.4380	0.000	1	114.4380	0.000	1	115.2322	0.948	16	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2C)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	115.0606	0.578	9	115.0606	0.334	9	115.0606	0.334	9	115.2322	0.948	16	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2C)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])3(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])3(CH3)	115.6350	1.561	5	115.6350	2.435	5	115.6220	1.949	6	115.2322	0.948	16	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2C)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])3(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2C){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])3(CH3)	115.5570	0.000	1	115.5570	0.000	1	115.6220	1.949	6	115.2322	0.948	16	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]CH)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]CH){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	117.1030	0.000	1	117.1030	0.000	1	116.8795	0.100	2	116.5407	2.155	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]CH)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]CH){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	116.6560	0.000	1	116.6560	0.000	1	116.8795	0.100	2	116.5407	2.155	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]CH)	N[6a](C[6a]C[6a]C)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(CCCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]CH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(CCCH)(H)	115.8790	0.168	2	115.8790	0.028	2	115.8790	0.028	2	116.5407	2.155	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CN[5]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CN[5]O)(CCHH)(H)	115.3470	0.000	1	115.3470	0.000	1	115.3470	0.000	1	116.5407	2.155	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]CH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5])(CC[6a]C[5]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]CH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5])(CC[6a]C[5]H)(H)	116.6280	0.000	1	116.6280	0.000	1	116.6280	0.000	1	116.5407	2.155	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(CC[6a]CH)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|C<4>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C){1|C<3>,2|C<4>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	116.0800	0.000	1	116.0800	0.000	1	116.9288	3.358	9	116.5407	2.155	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	118.0910	0.000	1	118.0910	0.000	1	116.9288	3.358	9	116.5407	2.155	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)(H)	116.6208	0.915	4	116.6208	0.838	4	116.9288	3.358	9	116.5407	2.155	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	119.1330	0.068	2	119.1330	0.005	2	116.9288	3.358	9	116.5407	2.155	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HN)(H)	113.4390	0.000	1	113.4390	0.000	1	116.9288	3.358	9	116.5407	2.155	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	116.8930	0.000	1	116.8930	0.000	1	115.7327	0.946	4	116.5407	2.155	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(H)	114.5150	0.000	1	114.5150	0.000	1	115.7327	0.946	4	116.5407	2.155	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	115.7615	0.081	2	115.7615	0.007	2	115.7327	0.946	4	116.5407	2.155	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN[5a]CH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(CCCO)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN[5a]CH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(CCCO)(H)	115.0120	0.000	1	115.0120	0.000	1	115.0120	0.000	1	116.5407	2.155	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]CH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]CH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(CH3)(H)	118.3615	1.850	2	118.3615	3.424	2	117.8413	2.524	3	116.5407	2.155	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]CH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]CH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(CCHH)(H)	116.8010	0.000	1	116.8010	0.000	1	117.8413	2.524	3	116.5407	2.155	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O[4]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CO[4]CH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(O[4]Ga[4]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CO[4]CH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(O[4]Ga[4]2)(CH3)(H)	115.6580	0.000	1	115.6580	0.000	1	115.6580	0.000	1	116.5407	2.155	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])2(CCHH)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])2(CCHH)(CN)	113.6914	0.674	8	113.6914	0.454	8	113.6914	0.454	8	114.4518	2.200	11	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(OC)	115.5330	0.000	1	115.5330	0.000	1	116.4797	0.928	3	114.4518	2.200	11	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])2(CCHH)(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])2(CCHH)(OC)	116.9530	0.716	2	116.9530	0.512	2	116.4797	0.928	3	114.4518	2.200	11	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:N-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]CN)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)(NHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]CN){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)(NHH)	120.1220	0.000	1	120.1220	0.000	1	120.1220	0.000	1	120.1220	0.000	1	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])2(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])2(CCHH)(CH3)	115.0650	0.452	4	115.0650	0.204	4	115.0650	0.204	4	115.6348	1.122	9	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)2	117.6060	0.000	1	117.6060	0.000	1	116.3363	1.607	4	115.6348	1.122	9	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(CH3)	114.6820	0.000	1	114.6820	0.000	1	116.3363	1.607	4	115.6348	1.122	9	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)2	116.5285	0.630	2	116.5285	0.397	2	116.3363	1.607	4	115.6348	1.122	9	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:3:4:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(CH3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]CC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(CH3)2	115.1080	0.000	1	115.1080	0.000	1	115.1080	0.000	1	115.6348	1.122	9	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[5,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C(C[6a]C[5,6a]N[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CCHH){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5,6a]N[6a])(CCHH)(H)2	116.6190	0.000	1	116.6190	0.000	1	116.6190	0.000	1	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)	C(C[6a]C[5,6a]N[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(CCHH){1|C<3>,1|O<2>,4|C<4>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C){1|Si<4>,1|C<3>,1|H<1>}	C(C[6a]C[5,6a]N[6a])(CCHH)(H)2	115.6680	0.000	1	115.6680	0.000	1	115.6680	0.000	1	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]N[6a])(CCCH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CCHH){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(CCCH)(H)2	119.1590	0.000	1	119.1590	0.000	1	118.3940	1.170	2	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]N[6a])(CCHH)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CCHH){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(CCHH)(H)2	117.6290	0.000	1	117.6290	0.000	1	118.3940	1.170	2	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[5a,6a]N[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCHH){2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[5a,6a]N[6a])(CCHH)(H)2	119.1760	0.000	1	119.1760	0.000	1	119.1760	0.000	1	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6]HH)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6]HH){1|H<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(H)2	118.9420	0.000	1	118.9420	0.000	1	118.9420	0.000	1	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:F-1:F-1:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CCFF)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]C)	C(C[6a]C[6,6a]N[6a])(CCFF)(F)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CCFF){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]C){1|C<4>,3|C<3>}	C(C[6a]C[6,6a]N[6a])(CCFF)(F)2	112.3710	0.000	1	112.3710	0.000	1	112.3710	0.000	1	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6,6a]C[5a,6,6a]C[6])(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]C)	C(C[6a]C[6,6a]N[6a])(CCHH)(H)2	C[6a](C[6,6a]C[5a,6,6a]C[6])(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]C){1|C<4>,2|C<3>}	C(C[6a]C[6,6a]N[6a])(CCHH)(H)2	117.6790	0.000	1	117.6790	0.000	1	115.7860	7.167	2	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]F)	C(C[6a]C[6,6a]N[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CCHH){1|F<1>,1|N<2>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]F){1|C<4>,2|C<3>}	C(C[6a]C[6,6a]N[6a])(CH3)(H)2	113.8930	0.000	1	113.8930	0.000	1	115.7860	7.167	2	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(CCHH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]N[6a])(CF3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(CCHH){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]N[6a])(CF3)(H)2	114.3430	0.000	1	114.3430	0.000	1	114.3430	0.000	1	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CCHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C){4|C<3>}	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	116.7445	0.296	2	116.4320	0.163	4	116.4320	0.163	4	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CCHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CCHH){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	116.1195	0.098	2	116.4320	0.163	4	116.4320	0.163	4	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[5]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[5]HH){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(H)2	118.5410	0.000	1	118.5410	0.000	1	118.5410	0.000	1	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a,6a]C)2	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(CCHH){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)2{3|C<3>}	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	114.6342	1.006	4	114.6342	1.013	4	114.9449	1.705	7	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C(C[6a]C[6a,6a]N[6a])(CF3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHH){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2){5|C<3>}	C(C[6a]C[6a,6a]N[6a])(CF3)(H)2	114.3565	0.511	2	114.3565	0.261	2	114.9449	1.705	7	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C){4|C<3>}	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	117.3640	0.000	1	117.3640	0.000	1	114.9449	1.705	7	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[5]HH)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)	C(C[6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[5]HH){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C){3|C<3>}	C(C[6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(H)2	117.1350	0.000	1	117.1350	0.000	1	117.1350	0.000	1	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|C<4>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C){1|Si<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	115.7970	0.000	1	115.7970	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]F)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(CCHH){1|C<4>,1|F<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]F){1|C<4>,2|C<3>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	115.4570	0.000	1	115.4570	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(CCHH){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,2|C<3>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	112.9120	0.000	1	112.9120	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CCHH){1|N<2>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){2|C<3>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	114.5690	0.538	6	114.5690	0.289	6	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CCHH){1|C<3>,1|H<1>,3|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){4|C<3>}	C(C[6a]C[6a]N[6a])(CCCH)(H)2	115.7390	1.745	2	115.7390	3.046	2	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	114.2490	0.000	1	114.2490	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]2C)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]2C)(H)2	117.4510	0.000	1	117.4510	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<2>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	115.0350	0.000	1	114.9328	0.276	6	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|C<2>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	115.8600	0.000	1	114.9328	0.276	6	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	114.6755	0.287	4	114.9328	0.276	6	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(CHHO)(H)2	113.2670	0.000	1	113.2670	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	114.6840	0.474	2	114.0558	0.393	5	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	113.6370	0.127	3	114.0558	0.393	5	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	114.7550	0.000	1	114.7550	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<2>,1|C<3>}	C(C[6a]C[6a]N[6a])(CCCH)(H)2	116.7770	0.675	3	116.8864	1.365	5	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<2>,2|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<2>,1|C<3>}	C(C[6a]C[6a]N[6a])(CCCH)(H)2	118.5440	0.000	1	116.8864	1.365	5	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CCCH)(H)2	115.5570	0.000	1	116.8864	1.365	5	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<2>,2|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<2>,1|C<3>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	117.2330	0.509	2	117.2330	0.259	2	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CC[5]CC)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|C<4>}	C(C[6a]C[6a]N[6a])(CC[5]CC)(H)2	114.2980	0.000	1	114.2980	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C){1|C<3>,1|H<1>,3|C<4>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	113.6485	0.443	6	113.6485	0.197	6	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CCHH){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	114.4170	0.000	1	114.4170	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCCH)(H)2	116.6550	0.000	1	116.6550	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	116.8070	0.000	1	116.8070	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	119.0913	1.622	3	119.0913	2.630	3	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCCH)(H)2	116.0395	0.486	2	116.0395	0.236	2	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	117.0833	0.261	3	117.0833	0.068	3	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCHN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCHN)(H)2	117.0070	0.000	1	117.0070	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[5]2C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[5]2C)(H)2	116.3290	0.000	1	116.3290	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[5]HO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[5]HO)(H)2	116.4295	0.211	2	116.4295	0.045	2	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6]HH)(H)2	116.4920	0.000	1	116.4920	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6]HP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6]HP)(H)2	116.8680	0.000	1	116.8680	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]2H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]2H)(H)2	116.8920	0.000	1	116.8920	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]CC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]CC)(H)2	116.4655	0.269	2	116.4655	0.073	2	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]CH)(H)2	116.1680	0.000	1	116.1680	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	116.3950	0.217	3	116.3950	0.047	3	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]C[5]H)(H)2	117.2140	0.000	1	117.2140	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]HN)(H)2	116.2410	0.000	1	116.2410	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]HO)(H)2	117.3010	0.000	1	117.3010	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	117.0750	1.581	4	116.7584	1.971	7	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	116.3363	1.303	3	116.7584	1.971	7	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CHHN)(H)2	116.6325	1.167	62	116.6325	1.362	62	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(CHHO)(H)2	116.3627	0.380	3	116.8825	0.497	11	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CHHO)(H)2	117.0774	0.714	8	116.8825	0.497	11	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CHHS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CHHS)(H)2	116.1785	0.769	2	116.1785	0.591	2	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CN[5]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CN[5]HH)(H)2	116.0325	0.465	2	116.0325	0.216	2	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CN[5a]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CN[5a]HH)(H)2	117.5920	0.000	1	117.5920	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CN[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CN[6]HH)(H)2	114.1730	0.000	1	114.1730	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]2)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]2){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	114.0320	0.000	1	114.0320	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]2)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]2){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	112.8370	0.000	1	112.8370	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CCCO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCCO)(H)2	115.1040	0.000	1	115.1040	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	117.1950	0.000	1	117.1950	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CC[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6]HH)(H)2	117.4155	0.388	2	117.4155	0.151	2	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]2O)(H)2	117.0256	1.473	5	117.0256	2.171	5	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	115.0678	0.972	22	115.0678	0.945	22	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	116.5320	0.000	1	116.5320	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	117.2670	0.000	1	116.6750	0.701	2	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	116.0830	0.000	1	116.6750	0.701	2	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	115.0545	2.641	2	115.0545	6.975	2	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CN[5]CH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CN[5]CH)(H)2	118.3815	0.086	2	118.3815	0.007	2	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|Se<2>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(CCHH)(H)2	114.8870	0.000	1	114.8870	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|Se<2>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	113.2830	0.000	1	113.2830	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	118.5100	0.000	1	118.5100	0.000	1	116.1030	2.157	196	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5]S)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5]S)(H)2	115.4990	0.000	1	115.4990	0.000	1	116.3249	1.355	12	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]2Fe)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5]C[5]2Fe)(H)2	116.5860	1.359	8	116.5860	1.847	8	116.3249	1.355	12	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]2W)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5]C[5]2W)(H)2	116.1760	0.000	1	115.8545	0.207	2	116.3249	1.355	12	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]2W)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(C[5]C[5]2W)(H)2	115.5330	0.000	1	115.8545	0.207	2	116.3249	1.355	12	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(C[5]C[5]2W)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5]C[5]2W)(H)2	116.0030	0.000	1	116.0030	0.000	1	116.3249	1.355	12	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	114.8293	0.361	3	114.8293	0.131	3	114.6586	2.107	5	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6]HH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6]HH){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	112.4090	0.000	1	112.4090	0.000	1	114.6586	2.107	5	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]2Cr)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]2Cr)(H)2	116.3960	0.000	1	116.3960	0.000	1	114.6586	2.107	5	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCHH)(H)2	116.7698	1.219	4	116.7698	1.487	4	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NFeCC)(H)2	115.3765	0.565	2	115.3765	0.319	2	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NMnCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NMnCC)(H)2	118.2985	0.261	2	118.2985	0.068	2	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NNiCC)(H)2	116.8230	0.000	1	116.8230	0.000	1	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NZnCC)(H)2	115.7200	0.000	1	115.7200	0.000	1	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCoCC)(H)2	116.7880	0.000	1	116.7880	0.000	1	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NFeCC)(H)2	114.6515	0.982	2	114.6515	0.965	2	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]F)	C(C[6a]C[6a]N[6a])(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]F){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NFeCC)(H)2	115.6840	0.000	1	115.6840	0.000	1	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NBCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NBCH)(H)2	115.1410	0.341	2	115.1410	0.116	2	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC3)(H)2	116.5380	0.000	1	116.5380	0.000	1	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCCH)(H)2	116.7223	0.999	3	116.7223	0.998	3	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCCV)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCCV)(H)2	115.9490	0.000	1	115.9490	0.000	1	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCHH)(H)2	115.3787	1.780	9	115.3787	3.167	9	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[3x6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[3x6]HH)(H)2	116.0280	0.000	1	116.0280	0.000	1	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCoCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCoCH)(H)2	118.6430	2.918	3	118.6430	8.512	3	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCuCC)(H)2	117.0753	2.158	3	117.0753	4.658	3	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NH3)(H)2	118.5154	2.165	10	118.5154	4.687	10	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NMnCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NMnCC)(H)2	116.0040	0.000	1	116.0040	0.000	1	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NMoCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NMoCC)(H)2	117.8760	0.000	1	117.8760	0.000	1	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NPdCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NPdCC)(H)2	116.0340	0.465	2	116.0340	0.216	2	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NReCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NReCC)(H)2	116.5490	0.170	2	116.5490	0.029	2	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NRhCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NRhCC)(H)2	114.8410	0.000	1	114.8410	0.000	1	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NRuCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NRuCC)(H)2	116.2797	0.642	3	116.2797	0.412	3	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NZnCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NZnCH)(H)2	116.7650	0.000	1	116.7650	0.000	1	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCoCC)(H)2	115.9800	0.000	1	115.9800	0.000	1	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NZnCC)(H)2	114.5700	0.000	1	114.5700	0.000	1	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCCH)(H)2	117.9690	1.875	3	116.4098	3.036	9	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCCH)(H)2	115.6302	1.124	6	116.4098	3.036	9	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCHH)(H)2	115.7099	1.126	19	115.7795	0.960	26	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCHH)(H)2	116.2680	0.284	2	115.7795	0.960	26	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCHH)(H)2	115.8482	0.362	5	115.7795	0.960	26	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[5]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[5]HH)(H)2	115.2165	0.152	2	115.2165	0.023	2	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	116.6310	0.547	2	116.6310	0.300	2	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCoCC)(H)2	116.6520	0.000	1	116.6520	0.000	1	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NFeCC)(H)2	116.0513	0.509	3	116.0513	0.259	3	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NHgCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHgCC)(H)2	115.2320	0.000	1	115.2320	0.000	1	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NIrCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NIrCC)(H)2	118.3817	0.719	3	118.3817	0.517	3	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NMnCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NMnCH)(H)2	116.1000	0.000	1	116.1000	0.000	1	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NFeCC)(H)2	115.7320	0.000	1	115.7320	0.000	1	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-4:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(NCCH)(H)2	116.6590	0.000	1	116.6590	0.000	1	116.3981	2.574	110	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2Mo)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2Mo)(H)2	115.8730	0.000	1	115.8730	0.000	1	115.1957	0.461	3	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2Ni)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2Ni)(H)2	114.8570	0.484	2	114.8570	0.234	2	115.1957	0.461	3	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[4,6,6]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(PCCN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[4,6,6]C[6a])(C[6a]C[6a]C){2|Ge<3>,1|C<3>,1|P<4>,2|H<1>}	C(C[6a]C[6a]N[6a])(PCCN)(H)2	116.3880	0.000	1	116.3880	0.000	1	116.0234	0.816	37	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(PRhCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(PRhCC)(H)2	115.4320	0.953	2	115.4320	0.909	2	116.0234	0.816	37	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(PC[6a]2Fe)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PC[6a]2Fe)(H)2	117.4315	0.595	2	117.4315	0.354	2	116.0234	0.816	37	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	116.0840	0.000	1	116.0840	0.000	1	116.0234	0.816	37	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(PC[6a]2S)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PC[6a]2S)(H)2	116.4570	0.000	1	116.4570	0.000	1	116.0234	0.816	37	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(PC[6a]2Se)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PC[6a]2Se)(H)2	116.4060	0.000	1	116.4060	0.000	1	116.0234	0.816	37	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(PC[6a]BC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PC[6a]BC)(H)2	116.1327	0.463	3	116.1327	0.214	3	116.0234	0.816	37	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(PC[6a]PdC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PC[6a]PdC)(H)2	116.3333	0.435	3	116.3333	0.189	3	116.0234	0.816	37	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(PCrCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PCrCC)(H)2	116.2050	0.000	1	116.2050	0.000	1	116.0234	0.816	37	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(PRuCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PRuCC)(H)2	116.6250	0.000	1	116.6250	0.000	1	116.0234	0.816	37	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(PAuCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PAuCC)(H)2	116.2750	1.079	2	116.2750	1.164	2	116.0234	0.816	37	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(PBCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PBCC)(H)2	115.3725	0.078	2	115.3725	0.006	2	116.0234	0.816	37	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(PCCS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PCCS)(H)2	115.8135	0.257	2	115.8135	0.066	2	116.0234	0.816	37	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(PC[6a]2C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PC[6a]2C)(H)2	116.3950	0.232	2	116.3950	0.054	2	116.0234	0.816	37	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(PC[6a]2F)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PC[6a]2F)(H)2	116.0815	0.486	2	116.0815	0.236	2	116.0234	0.816	37	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	116.2930	0.079	2	116.2930	0.006	2	116.0234	0.816	37	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PC[6a]2Pd)(H)2	118.0190	0.000	1	118.0190	0.000	1	116.0234	0.816	37	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(PCuCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PCuCC)(H)2	113.5635	0.105	2	113.5635	0.011	2	116.0234	0.816	37	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(PZnCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PZnCC)(H)2	115.6617	0.560	6	115.6617	0.313	6	116.0234	0.816	37	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P[5]-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[5]HH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(P[5]C[5]2S)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[5]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(P[5]C[5]2S)(H)2	114.9320	0.273	2	114.9320	0.074	2	114.9320	0.074	2	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P[6]-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[6]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(P[6]C[6]2Pd)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[6]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(P[6]C[6]2Pd)(H)2	117.3435	0.118	2	117.3435	0.014	2	116.5647	1.827	3	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P[6]-4:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CP[6]HH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(P[6]O[6]2O)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CP[6]HH){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<4>}	C(C[6a]C[6a]N[6a])(P[6]O[6]2O)(H)2	115.0070	0.000	1	115.0070	0.000	1	116.5647	1.827	3	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(SC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(SC[6a]OO)(H)2	115.1760	0.000	1	115.1760	0.000	1	115.1760	0.000	1	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(SiC[6a]2C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(SiC[6a]2C)(H)2	116.5080	0.882	2	116.5080	0.779	2	116.6577	0.266	6	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiHH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(SiC[6a]2C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(SiC[6a]2C)(H)2	116.7325	0.402	4	116.7325	0.162	4	116.6577	0.266	6	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CCHH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]C){1|N<3>,2|O<1>}	C(C[6a]C[6a]N[6a])(CH3)(H)2	119.3140	0.000	1	119.3140	0.000	1	119.3140	0.000	1	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	N[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:H-1:	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHH){1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]N[6a]2)(CH3)(H)2	119.3550	0.352	2	119.3550	0.124	2	119.3550	0.124	2	116.1891	2.249	401	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:2:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-2:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHO)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]N[6a])(CC3)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHO){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]N[6a])(CC3)(OC)(H)	115.5570	0.000	1	115.5570	0.000	1	115.5570	0.000	1	116.0323	3.500	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC3)(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC3)(NC)(H)	118.3360	0.000	1	118.3360	0.000	1	118.3360	0.000	1	116.0323	3.500	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-2:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCHH)(OSi)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(CCHH)(OSi)(H)	114.3090	0.000	1	114.3090	0.000	1	115.3294	2.730	7	116.0323	3.500	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]HO)(OH)(H)	116.4530	0.000	1	116.4530	0.000	1	115.3294	2.730	7	116.0323	3.500	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CH3)(ON)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)(ON)(H)	114.9060	0.000	1	114.9060	0.000	1	115.3294	2.730	7	116.0323	3.500	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CHHO)(ON)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CHHO)(ON)(H)	113.1620	0.000	1	113.1620	0.000	1	115.3294	2.730	7	116.0323	3.500	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-2:H-1:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CCHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCFH)(OC)(H)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>}	C(C[6a]C[6a]N[6a])(CCFH)(OC)(H)	113.9800	0.000	1	113.9800	0.000	1	115.3294	2.730	7	116.0323	3.500	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCHO)(OC)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCHO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(CCHO)(OC)(H)	117.2480	0.119	2	117.2480	0.014	2	115.3294	2.730	7	116.0323	3.500	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]2Fe)(OC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5]C[5]2Fe)(OC)(H)	116.7550	0.000	1	116.7550	0.000	1	116.3795	0.282	2	116.0323	3.500	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]2Fe)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5]C[5]2Fe)(OH)(H)	116.0040	0.000	1	116.0040	0.000	1	116.3795	0.282	2	116.0323	3.500	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:O-2:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CSiHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(SiC3)(OH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CSiHO){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6a]N[6a])(SiC3)(OH)(H)	113.1230	0.000	1	113.1230	0.000	1	113.1230	0.000	1	116.0323	3.500	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:2:1:	N[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:O-2:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(CCHO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CCCH)(OC)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(CCHO){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]N[6a]2)(CCCH)(OC)(H)	119.4610	0.000	1	119.4610	0.000	1	117.8010	2.626	3	116.0323	3.500	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:2:1:	N[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:O-2:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(CCHO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CCCH)(OH)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(CCHO){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]N[6a]2)(CCCH)(OH)(H)	116.2230	0.000	1	116.2230	0.000	1	117.8010	2.626	3	116.0323	3.500	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:2:1:	N[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:O-2:H-1:	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CC3)(OH)(H)	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHO){1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]N[6a]2)(CC3)(OH)(H)	117.7190	0.000	1	117.7190	0.000	1	117.8010	2.626	3	116.0323	3.500	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:2:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-2:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCHH)(CC)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCHH)(CC)(OH)	115.3710	0.000	1	115.3710	0.000	1	115.3765	0.000	2	115.3723	0.000	3	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:2:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-2:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CH3)(CC)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)(CC)(OH)	115.3820	0.000	1	115.3820	0.000	1	115.3765	0.000	2	115.3723	0.000	3	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:2:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-2:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCOO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CF3)(OH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCOO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CF3)(OH)2	115.3640	0.000	1	115.3640	0.000	1	115.3640	0.000	1	115.3723	0.000	3	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:3:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])(CCCH)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]N[6a])(CH3)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])(CCCH){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]C){5|C<3>}	C(C[6a]C[6a,6a]N[6a])(CH3)(COO)(H)	112.7410	0.000	1	112.7410	0.000	1	111.8835	1.471	2	114.9259	3.756	11	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:3:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])(CCCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]N[6a])(CH3)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])(CCCH){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]N[6a])(CH3)(COO)(H)	111.0260	0.000	1	111.0260	0.000	1	111.8835	1.471	2	114.9259	3.756	11	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-3:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CCHN)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NCH)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CCHN){1|C<4>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|Br<1>,1|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NCH)(H)	116.5200	0.000	1	116.5200	0.000	1	115.6020	1.683	9	114.9259	3.756	11	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCHH)(NCH)(H)	115.0390	0.000	1	115.0390	0.000	1	115.6020	1.683	9	114.9259	3.756	11	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NCC)(H)	117.7090	0.000	1	117.7090	0.000	1	115.6020	1.683	9	114.9259	3.756	11	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]HN)(NC[6a]Ni)(H)	115.1745	0.282	2	115.1745	0.080	2	115.6020	1.683	9	114.9259	3.756	11	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(NC[5a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]HO)(NC[5a]C)(H)	114.0475	0.812	2	114.0475	0.660	2	115.6020	1.683	9	114.9259	3.756	11	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CH3)(NHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)(NHN)(H)	115.7210	0.000	1	115.7210	0.000	1	115.6020	1.683	9	114.9259	3.756	11	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CHHN)(NCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CHHN)(NCO)(H)	116.9850	0.000	1	116.9850	0.000	1	115.6020	1.683	9	114.9259	3.756	11	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CCCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]N[6a])(CCHH)2(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CCCH){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]N[6a])(CCHH)2(H)	118.8780	0.000	1	118.8780	0.000	1	118.8780	0.000	1	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CCCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){2|C<3>}	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	118.7170	0.000	1	118.7170	0.000	1	119.0005	0.401	4	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCCH){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	118.5430	0.000	1	118.5430	0.000	1	119.0005	0.401	4	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CCCH){1|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>}	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	119.3710	0.799	2	119.3710	0.638	2	119.0005	0.401	4	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]N[6a])(CC[6a]CO)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCCH){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]N[6a])(CC[6a]CO)(CH3)(H)	117.1050	0.000	1	117.1050	0.000	1	117.1050	0.000	1	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCCH){1|O<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){3|C<3>}	C(C[6a]C[6a]N[6a])(CH3)2(H)	113.6630	0.000	1	113.6630	0.000	1	116.2659	2.207	21	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C(C[6a]C[6a]N[6a])(CH3)2(H)	115.1320	0.896	3	115.0550	0.559	4	116.2659	2.207	21	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){2|C<3>}	C(C[6a]C[6a]N[6a])(CH3)2(H)	114.8240	0.000	1	115.0550	0.559	4	116.2659	2.207	21	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(CH3)2(H)	117.3840	0.098	2	117.3840	0.010	2	116.2659	2.207	21	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CCCH){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|F<1>}	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	120.1470	0.000	1	120.1470	0.000	1	116.2659	2.207	21	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCHH)2(H)	116.1380	0.000	1	116.5563	0.872	3	116.2659	2.207	21	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCHH)2(H)	116.7655	1.217	2	116.5563	0.872	3	116.2659	2.207	21	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCHO)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCHO)(CH3)(H)	116.9860	0.000	1	116.9860	0.000	1	116.2659	2.207	21	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CCHH)(H)	116.1470	0.000	1	116.1470	0.000	1	116.2659	2.207	21	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CC[6a]HH)(H)	115.3035	0.552	2	115.3035	0.305	2	116.2659	2.207	21	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(CC[6a]HH)(CC[6a]HN)(H)	116.2530	0.000	1	116.2530	0.000	1	116.2659	2.207	21	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CHHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CHHN)(H)	117.3550	0.000	1	117.3550	0.000	1	116.2659	2.207	21	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(H)	114.8640	0.000	1	114.8640	0.000	1	116.2659	2.207	21	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)2(H)	118.3660	0.000	1	118.3660	0.000	1	116.2659	2.207	21	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCCH){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<3>,1|C<4>,2|N<2>}	C(C[6a]C[6a]N[6a])(CH3)2(H)	116.2690	0.086	2	116.2690	0.007	2	116.2659	2.207	21	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCCH)(NH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCCH)(NH3)(H)	116.4280	0.508	2	116.4280	0.258	2	115.9047	0.951	3	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(NZnCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]HN)(NZnCH)(H)	114.8580	0.000	1	114.8580	0.000	1	115.9047	0.951	3	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]CH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5]Mn)(CC[6a]C[5]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]CH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5]Mn)(CC[6a]C[5]H)(H)	116.4782	0.443	5	116.4782	0.196	5	116.4782	0.196	5	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]CH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]2Cr)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]CH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]2Cr)(CCHH)(H)	117.3150	1.112	2	117.3150	1.236	2	117.3150	1.236	2	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:Ge-4:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CGeHP)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(GeCl2Ge)(PCCS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CGeHP){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(GeCl2Ge)(PCCS)(H)	117.5975	0.453	2	117.5975	0.205	2	117.5975	0.205	2	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(PC[6a]2Au)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PC[6a]2Au)(CCHH)(H)	114.4060	0.000	1	114.4060	0.000	1	114.5780	0.059	2	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(PC[6a]2Rh)(CC[6]HP)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PC[6a]2Rh)(CC[6]HP)(H)	114.7500	0.000	1	114.7500	0.000	1	114.5780	0.059	2	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHPP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(PC[6a]2Fe)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHPP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PC[6a]2Fe)2(H)	113.9300	0.000	1	113.9300	0.000	1	115.3580	4.078	2	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHPP)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(PMnCC)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHPP){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PMnCC)2(H)	116.7860	0.000	1	116.7860	0.000	1	115.3580	4.078	2	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:Si-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi2H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(SiC3)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi2H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(SiC3)2(H)	116.6730	0.000	1	116.6730	0.000	1	116.6730	0.000	1	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	N[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CC3)(CH3)(H)	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCCH){1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]N[6a]2)(CC3)(CH3)(H)	117.8430	0.000	1	117.8430	0.000	1	117.8430	0.000	1	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CH3)2(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,2|H<1>}	C(C[6a]N[6a]2)(CH3)2(H)	119.9680	0.000	1	119.9680	0.000	1	119.9680	0.000	1	116.6925	2.506	46	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[5]HH)2(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[5]HH)2(CN)	114.0300	0.000	1	114.0300	0.000	1	116.5530	19.633	4	116.0393	5.254	22	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6]HH)2(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6]HH)2(CC)	118.8195	6.182	2	118.8195	38.220	2	116.5530	19.633	4	116.0393	5.254	22	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]HH)2(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]HH)2(CC)	114.5430	0.000	1	114.5430	0.000	1	116.5530	19.633	4	116.0393	5.254	22	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:O-2:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCCO)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)2(OH)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCCO){1|O<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){3|C<3>}	C(C[6a]C[6a]N[6a])(CH3)2(OH)	110.5440	0.000	1	110.5440	0.000	1	115.9252	2.950	18	116.0393	5.254	22	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OCo)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OCo)	118.3650	0.000	1	118.3650	0.000	1	115.9252	2.950	18	116.0393	5.254	22	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	116.4189	0.845	12	116.4189	0.714	12	115.9252	2.950	18	116.0393	5.254	22	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCHH)2(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCHH)2(OH)	115.2167	1.052	3	115.2167	1.106	3	115.9252	2.950	18	116.0393	5.254	22	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CHHN)(CH3)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CHHN)(CH3)(OH)	115.0670	0.000	1	115.0670	0.000	1	115.9252	2.950	18	116.0393	5.254	22	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CH3)2(CHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(CH3)2(CHH)	115.2050	0.000	1	115.2050	0.000	1	115.2050	0.000	1	117.2907	1.600	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:N-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CH3)2(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)2(NCH)	117.7460	0.230	7	117.7460	0.053	7	117.4923	0.343	9	117.2907	1.600	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:N-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)2(NOO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CH3)2(NOO)	116.6045	0.629	2	116.6045	0.395	2	117.4923	0.343	9	117.2907	1.600	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:3:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:N-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CCCN)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CH3)2(NCH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CCCN){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]N[6a]2)(CH3)2(NCH)	116.4920	0.352	4	116.4920	0.124	4	117.3450	3.731	5	117.2907	1.600	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:3:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:N-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCN)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CH3)2(NCH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]N[6a]2)(CH3)2(NCH)	120.7570	0.000	1	120.7570	0.000	1	117.3450	3.731	5	117.2907	1.600	15	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:4:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CC3)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)	C(C[6a]C[5,6a]N[6a])(CH3)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CC3){1|C<4>,1|O<1>,3|C<3>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[5,6a]N[6a])(CH3)3	115.9970	0.000	1	115.9970	0.000	1	115.9970	0.000	1	114.8963	10.295	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:4:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CC3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]N[6a])(CH3)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CC3){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a,6a]C){1|N<2>,4|C<3>}	C(C[6a]C[5a,6a]N[6a])(CH3)3	116.4785	0.118	2	116.4785	0.014	2	116.4785	0.014	2	114.8963	10.295	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:4:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]N[6a])(CF3)(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC3){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]N[6a])(CF3)(CH3)2	113.9195	1.504	2	113.9195	2.262	2	113.9195	2.262	2	114.8963	10.295	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CH3)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC3){1|C<4>,4|C<3>}	N[6a](C[6a]C[6a]C)2{3|C<3>}	C(C[6a]C[6a]N[6a])(CH3)3	112.7400	0.000	1	112.7400	0.000	1	115.6686	6.064	17	114.8963	10.295	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CH3)3	115.1090	0.529	2	115.1090	0.280	2	115.6686	6.064	17	114.8963	10.295	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6]HH)2(CCu2C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6]HH)2(CCu2C)	114.0190	0.673	2	114.0190	0.453	2	115.6686	6.064	17	114.8963	10.295	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CClHH)(CHHN)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CClHH)(CHHN)(CH3)	114.7160	0.000	1	114.7160	0.000	1	115.6686	6.064	17	114.8963	10.295	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	116.2097	1.788	3	116.2097	3.195	3	115.6686	6.064	17	114.8963	10.295	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CHHO)2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CHHO)2(CH3)	123.5250	0.000	1	123.5250	0.000	1	115.6686	6.064	17	114.8963	10.295	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C(C[6a]C[6a]N[6a])(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,1|H<1>,1|S<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)3	114.9855	0.848	2	114.9855	0.719	2	115.6686	6.064	17	114.8963	10.295	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C(C[6a]C[6a]N[6a])(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)3	113.9430	0.000	1	113.9430	0.000	1	115.6686	6.064	17	114.8963	10.295	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)3	117.5640	0.000	1	117.5640	0.000	1	115.6686	6.064	17	114.8963	10.295	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C){1|Ir<8>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CH3)3	114.9620	0.000	1	114.9075	0.006	2	115.6686	6.064	17	114.8963	10.295	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C){1|Rh<8>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CH3)3	114.8530	0.000	1	114.9075	0.006	2	115.6686	6.064	17	114.8963	10.295	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CH3)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(CH3)3	117.2070	0.000	1	117.2070	0.000	1	115.6686	6.064	17	114.8963	10.295	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:Si-4:Si-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi3)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(SiCl2H)(SiC3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(SiCl2H)(SiC3)2	107.1765	0.118	2	107.1765	0.014	2	107.1765	0.014	2	114.8963	10.295	24	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	3:5:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:P-5:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(PC[6a]2FF)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PC[6a]2FF)(H)2	115.5430	0.000	1	115.5430	0.000	1	115.5430	0.000	1	115.5430	0.000	1	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	4:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CC[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]N[6a])(H)2	117.0130	0.000	1	117.0130	0.000	1	116.4374	0.849	5	116.0252	1.205	12	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	4:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]N[6a])(H)2	117.5160	0.000	1	117.5160	0.000	1	116.4374	0.849	5	116.0252	1.205	12	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	4:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	N[6a](C[6a]C[6a]C)2	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]N[6a])(H)2	116.0010	0.000	1	116.0010	0.000	1	116.4374	0.849	5	116.0252	1.205	12	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	4:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	N[6a](C[6a]C[6a]C)2	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]N[6a])(H)2	115.8285	0.984	2	115.8285	0.967	2	116.4374	0.849	5	116.0252	1.205	12	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	4:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CC[6]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CC[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(H)2	113.2650	0.000	1	113.2650	0.000	1	114.9530	5.699	2	116.0252	1.205	12	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	4:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(H)2	116.6410	0.000	1	116.6410	0.000	1	114.9530	5.699	2	116.0252	1.205	12	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	4:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	N[5,6]-4:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5,6]HH)	N[6a](C[6a]C[6a]C)2	C(N[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5,6]HH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(N[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]N[6a])(H)2	116.1273	0.341	3	116.1273	0.117	3	116.1273	0.117	3	116.0252	1.205	12	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	4:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	N[6,6]-4:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6,6]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(N[6,6]B[6,6]C[6]2)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6,6]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(N[6,6]B[6,6]C[6]2)(C[6a]C[6a]N[6a])(H)2	116.5130	0.000	1	116.5130	0.000	1	116.5130	0.000	1	116.0252	1.205	12	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:2:4:	3:3:	4:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	P[5,5]-4:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[5,5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(P[5,5]C[5,5,6]2S)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[5,5]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(P[5,5]C[5,5,6]2S)(C[6a]C[6a]N[6a])(H)2	115.3140	0.000	1	115.3140	0.000	1	115.3140	0.000	1	116.0252	1.205	12	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:4:2:	3:3:	3:3:4:1:	C[6a]-3:C-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-4:H-1:	C[6a](C[6a]C[6a]H)(CC[6]N[6]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]2Fe)(H)	C[6a](C[6a]C[6a]H)(CC[6]N[6]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]2Fe)(H)	116.0280	0.000	1	116.0280	0.000	1	116.0280	0.000	1	116.0280	0.000	1	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:4:2:	3:3:	3:4:3:1:	C[6a,6a]-3:C-4:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]C[5]H)(N[6a]N[6a])	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]H)	C(C[6a]C[6a,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]C[5]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]H){1|O<1>,2|C<3>}	C(C[6a]C[6a,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	115.3160	0.000	1	115.3160	0.000	1	115.3160	0.000	1	116.8655	4.802	2	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	3:4:2:	3:3:	3:4:3:1:	C[6a]-3:C-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:H-1:	C[6a](C[6a]C[6a]H)(CC[5]P[5]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5]Mn)(P[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(CC[5]P[5]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5]Mn)(P[5]C[5]2)(H)	118.4150	0.000	1	118.4150	0.000	1	118.4150	0.000	1	116.8655	4.802	2	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	4:2:3:	3:3:	6:3:2:1:	C-4:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C[6a](CC[5x3,5x5,20x6]HO)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	114.3123	0.174	3	114.3123	0.030	3	114.3123	0.030	3	114.3123	0.030	3	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	4:3:2:	3:3:	3:3:3:1:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])2(N[5]C[5]2)(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])2(N[5]C[5]2)(H)	115.5899	1.221	9	115.5899	1.491	9	115.5899	1.491	9	115.5899	1.491	9	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	4:3:2:	3:3:	3:3:3:2:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:O-2:	C[6a](CC[5,6]C[6a]O)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)	C[6a](CC[5,6]C[6a]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)	114.3200	0.000	1	114.3200	0.000	1	114.3200	0.000	1	116.9222	3.194	4	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	4:3:2:	3:3:	3:3:3:2:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6a]-3:O-2:	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)(OMn)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)(OMn)	117.7897	0.526	3	117.7897	0.277	3	117.7897	0.277	3	116.9222	3.194	4	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	4:3:2:	3:3:	3:3:3:3:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:N-3:	C[6a](CC[6a]C[6]N)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(NNiC)	C[6a](CC[6a]C[6]N)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(NNiC)	114.5037	0.248	4	114.5037	0.061	4	114.5037	0.061	4	114.5037	0.061	4	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	4:3:2:	3:3:	5:3:2:1:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:O-2:H-1:	C[6a](CC[3x3,4,3x5,14x6]HO)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[3x3,4,3x5,14x6]HO)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(OH)(H)	115.5720	0.252	4	115.5720	0.063	4	115.5720	0.063	4	115.5720	0.063	4	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	4:3:2:	3:3:	5:3:3:1:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:N-3:H-1:	C[6a](CC[3x3,4,3x5,14x6]HN)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(NCC)(H)	C[6a](CC[3x3,4,3x5,14x6]HN)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(NCC)(H)	117.5460	0.000	1	117.5460	0.000	1	117.5460	0.000	1	117.5460	0.000	1	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	4:3:2:	3:3:	6:3:1:1:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(H)2	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(H)2	115.9100	0.000	1	115.9100	0.000	1	115.9100	0.000	1	115.9100	0.000	1	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	4:3:2:	3:3:	6:3:2:1:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	116.9673	1.979	4	116.9673	3.918	4	116.7249	1.798	12	116.7249	1.798	12	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	4:3:2:	3:3:	6:3:2:1:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]N[6a])(OH)(H)	116.7187	1.075	7	116.7187	1.156	7	116.7249	1.798	12	116.7249	1.798	12	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	4:3:2:	3:3:	6:3:2:1:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	115.7990	0.000	1	115.7990	0.000	1	116.7249	1.798	12	116.7249	1.798	12	116.4700	2.501	4093	116.4700	2.501	4093
643	371	490	0:SP2_SP2_SP3	C[6a]	N[6a]	C	4:3:2:	3:3:	6:3:3:1:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:C[6a]-3:N-3:H-1:	C[6a](CC[5x3,5x5,20x6]HN)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(NCH)(H)	C[6a](CC[5x3,5x5,20x6]HN)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(NCH)(H)	115.1830	0.000	1	115.1830	0.000	1	115.1830	0.000	1	115.1830	0.000	1	116.4700	2.501	4093	116.4700	2.501	4093