856	466	474	0:SP2_SP3_SP3	N[6,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:4:3:2:	C[5,6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[5,6]-4:C[5]-3:O-2:	N[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(OH)	N[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	116.2640	0.000	1	116.2640	0.000	1	116.2640	0.000	1	116.2640	0.000	1	116.2640	0.000	1	119.0017	3.788	12
856	466	474	0:SP2_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H)	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,4|H<1>,6|C<4>}	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H){1|O<1>,3|C<4>,7|H<1>}	121.8580	0.000	1	121.8580	0.000	1	119.5233	4.157	3	119.5233	4.157	3	119.5233	4.157	3	119.0017	3.788	12
856	466	474	0:SP2_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]Pd)	C[6](N[6]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[6]C[6]2)(H)	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]Pd){4|H<1>,6|C<4>}	C[6](N[6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|Pd<4>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[6]C[6]2)(H){1|Pd<4>,1|N<3>,4|C<4>,5|H<1>}	118.3560	0.372	2	118.3560	0.138	2	119.5233	4.157	3	119.5233	4.157	3	119.5233	4.157	3	119.0017	3.788	12
856	466	474	0:SP2_SP3_SP3	N[6]	C[6]	C[5]	3:4:4:	3:3:1:1:	4:4:3:1:	C[6]-3:C[5]-4:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	C[5]-4:C[5]-4:N[6]-3:H-1:	N[6](C[6]C[6,6]O)(C[5]C[5]2H)(C[6]C[6]HH)	C[6](N[6]C[5]C[6])(C[6]N[6,6]O)(H)2	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6,6]O)(C[5]C[5]2H)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6,6]O)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	117.6420	0.000	1	117.6420	0.000	1	117.6420	0.000	1	117.6420	0.000	1	119.1483	3.552	8	119.0017	3.788	12
856	466	474	0:SP2_SP3_SP3	N[6]	C[6]	C[5]	4:4:3:	3:3:4:1:	4:3:2:1:	C[6]-4:C[5]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	118.7280	0.000	1	120.6163	3.144	3	120.6163	3.144	3	120.6163	3.144	3	119.1483	3.552	8	119.0017	3.788	12
856	466	474	0:SP2_SP3_SP3	N[6]	C[6]	C[5]	4:4:3:	3:3:4:1:	4:3:2:1:	C[6]-4:C[5]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	121.5605	0.969	2	120.6163	3.144	3	120.6163	3.144	3	120.6163	3.144	3	119.1483	3.552	8	119.0017	3.788	12
856	466	474	0:SP2_SP3_SP3	N[6]	C[6]	C[5]	4:4:3:	3:4:2:1:	4:3:2:1:	C[5]-4:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:S-2:H-1:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HS)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(SC)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HS)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(SC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,3|H<1>}	118.6600	1.799	2	118.6600	3.236	2	118.6600	3.236	2	118.6600	3.236	2	119.1483	3.552	8	119.0017	3.788	12
856	466	474	0:SP2_SP3_SP3	N[6]	C[6]	C[5]	4:4:3:	3:4:3:1:	4:3:2:1:	C[5]-4:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:N-3:H-1:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HN)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(NCH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HN)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|O<1>,1|O<2>,2|N<3>,3|C<4>,3|H<1>}	119.6510	0.000	1	119.6510	0.000	1	119.6510	0.000	1	119.6510	0.000	1	119.1483	3.552	8	119.0017	3.788	12
856	466	474	0:SP2_SP3_SP3	N[6]	C[6]	C[5]	4:4:3:	4:3:1:1:	3:3:3:1:	C[5]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	N[6](C[5]C[5,6a]2H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6]O[6]2)(N[6]C[5]C[6])(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	N[6](C[5]C[5,6a]2H)(C[6]C[6,6]HH)(C[6]C[6]O){2|H<1>,2|O<2>,5|C<3>}	C[6](C[6,6]C[6]O[6]2)(N[6]C[5]C[6])(H)2{1|H<1>,2|C<3>,2|O<1>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	116.7240	0.000	1	116.7240	0.000	1	116.7240	0.000	1	116.7240	0.000	1	119.1483	3.552	8	119.0017	3.788	12
856	466	474	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C[5]	4:4:3:	3:3:3:1:	3:3:4:1:	C[5]-4:C[6,6]-4:P[6,6]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[5,6a]-3:N[6,6]-3:C[5]-4:H-1:	N[6,6](C[5]C[5,6a]C[5]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[5]C[5]HH)(H)	N[6,6](C[5]C[5,6a]C[5]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[5])(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[5]C[5]HH)(H){2|O<2>,4|C<3>,4|H<1>}	118.3250	0.000	1	118.3250	0.000	1	118.3250	0.000	1	118.3250	0.000	1	118.3250	0.000	1	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6,6]	C[6]	C[5,6,6]	4:3:4:	3:3:4:1:	3:4:2:2:	C[5,6,6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-3:C-4:H-1:	N[6,6]-3:C[6,6]-4:O[5,6]-2:O[5]-2:	N[6,6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6,6]C[6]N[6])(C[6]C[6]CH)	C[6](N[6,6]C[5,6,6]C[6,6])(C[6]N[6]O)(CC[6a]HH)(H)	C[5,6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]C)(O[5,6]C[5,6])(O[5]C[5])	N[6,6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6,6]C[6]N[6])(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](N[6,6]C[5,6,6]C[6,6])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<2>}	C[5,6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]C)(O[5,6]C[5,6])(O[5]C[5]){1|N<2>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	118.6760	0.000	1	118.6760	0.000	1	118.6760	0.000	1	118.6760	0.000	1	118.6760	0.000	1	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:2:4:	C[6,6]-4:C[5,6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[5,6]-4:O[5]-2:C-4:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){2|C<3>,2|C<4>,8|H<1>}	113.0165	0.504	2	113.0165	0.254	2	113.0165	0.254	2	113.0165	0.254	2	112.4923	0.951	3	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	4:3:4:1:	C[6,6]-4:C[5,6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[6,6]-3:C[5]-4:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6,6]C[6,6]C[6])(C[5]C[5]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6,6]C[6,6]C[6])(C[5]C[5]HH)(H){3|C<3>,3|C<4>,8|H<1>}	111.4440	0.000	1	111.4440	0.000	1	111.4440	0.000	1	111.4440	0.000	1	112.4923	0.951	3	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5,5,6]	4:4:4:	3:4:1:1:	4:2:3:3:	C[5,5,6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:N[6]-3:	N[6](C[5,5,6]C[5,6]2O[5,5])(C[6]C[6]HH)2	C[6](N[6]C[5,5,6]C[6])(C[6]O[6]HH)(H)2	C[5,5,6](C[5,6]C[5,6,6]CH)(O[5,5]C[5,5,6,6])(C[5,6]N[5,6]C)(N[6]C[6]2)	N[6](C[5,5,6]C[5,6]2O[5,5])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|O<2>,3|C<4>,5|H<1>}	C[6](N[6]C[5,5,6]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6,6]CH)(O[5,5]C[5,5,6,6])(C[5,6]N[5,6]C)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	115.3535	3.441	2	115.3535	11.844	2	115.3535	11.844	2	115.3535	11.844	2	115.3535	11.844	2	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	3:3:3:3:	C[5,6,6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:N[6]-3:	N[6](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6]C[6]HH)2	C[6](N[6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(N[6]C[6]2)	N[6](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6]C[6]HH)2{2|C<4>,4|H<1>,5|C<3>}	C[6](N[6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(N[6]C[6]2){1|O<2>,4|C<4>,4|H<1>,6|C<3>}	111.3230	0.045	2	111.3230	0.002	2	112.1440	1.793	6	112.1440	1.793	6	112.1440	1.793	6	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	3:3:3:3:	C[5,6,6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:N[6]-3:	N[6](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6]C[6]HH)2	C[6](N[6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(N[6]C[6]2)	N[6](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6]C[6]HH)2{1|C<4>,4|H<1>,6|C<3>}	C[6](N[6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(N[6]C[6]2){4|H<1>,5|C<3>,5|C<4>}	112.5545	1.521	4	112.5545	2.313	4	112.1440	1.793	6	112.1440	1.793	6	112.1440	1.793	6	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	3:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)2	C[6](N[6]C[5,6]C[6])(C[6]N[6]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H)	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)2{1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[6](N[6]C[5,6]C[6])(C[6]N[6]O)(H)2{3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H){1|C<3>,2|C<4>,9|H<1>}	113.0920	0.000	1	113.0920	0.000	1	113.0920	0.000	1	113.0920	0.000	1	116.8425	28.133	2	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)2	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H)	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)2{1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H){1|C<3>,2|C<4>,9|H<1>}	120.5930	0.000	1	120.5930	0.000	1	120.5930	0.000	1	120.5930	0.000	1	116.8425	28.133	2	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:	3:3:1:1:	4:4:3:1:	C[6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5]-4:C[5]-4:N[6]-3:H-1:	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	109.0072	0.367	4	109.0072	0.135	4	109.0072	0.135	4	109.0072	0.135	4	113.3650	4.395	58	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:	3:3:3:1:	3:3:3:1:	C[6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]N[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[6]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]N[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH){1|N<2>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[6]C[5]C[6])(H){2|C<4>,2|N<2>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	114.0730	0.000	1	114.0730	0.000	1	114.0730	0.000	1	113.1567	0.776	3	113.3650	4.395	58	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:	3:3:3:1:	3:3:3:1:	C[6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:N[6]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]C[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H){2|C<4>,2|N<2>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){1|C<4>,5|H<1>,6|C<3>}	112.6985	0.541	2	112.6985	0.293	2	112.6985	0.293	2	113.1567	0.776	3	113.3650	4.395	58	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:3:2:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[6]-3:O[5]-2:H-1:	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	114.1690	0.519	2	114.1690	0.269	2	114.8923	0.706	8	114.8923	0.706	8	113.3650	4.395	58	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:3:2:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[6]-3:O[5]-2:H-1:	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2{1|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	115.6720	0.578	2	115.6720	0.335	2	114.8923	0.706	8	114.8923	0.706	8	113.3650	4.395	58	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:3:2:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[6]-3:O[5]-2:H-1:	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	114.8640	0.831	4	114.8640	0.690	4	114.8923	0.706	8	114.8923	0.706	8	113.3650	4.395	58	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:3:3:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	N[6](C[5]C[5,6a]2H)(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	N[6](C[5]C[5,6a]2H)(C[6]C[6]HH)2{1|O<2>,4|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){2|C<4>,4|C<3>,6|H<1>}	114.7010	0.062	2	115.0453	2.097	6	115.0453	2.097	6	115.0453	2.097	6	113.3650	4.395	58	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:3:3:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	N[6](C[5]C[5,6a]2H)(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	N[6](C[5]C[5,6a]2H)(C[6]C[6]HH)2{1|O<2>,4|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	115.2175	1.837	4	115.0453	2.097	6	115.0453	2.097	6	115.0453	2.097	6	113.3650	4.395	58	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:3:3:3:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:N[6]-3:N[6]-3:	N[6](C[5]C[5,6a]C[5]N[6])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]2)2	N[6](C[5]C[5,6a]C[5]N[6])(C[6]C[6]HH)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]2)2{2|C<3>,5|C<4>,9|H<1>}	113.5920	0.287	2	113.5920	0.082	2	114.2310	0.565	6	114.2310	0.565	6	113.3650	4.395	58	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:3:3:3:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:N[6]-3:N[6]-3:	N[6](C[5]C[5,6a]C[5]N[6])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]2)2	N[6](C[5]C[5,6a]C[5]N[6])(C[6]C[6]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]2)2{2|C<3>,5|C<4>,9|H<1>}	114.5505	0.712	4	114.5505	0.507	4	114.2310	0.565	6	114.2310	0.565	6	113.3650	4.395	58	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:3:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N[6]-3:H-1:	N[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[6]C[6]2)(H)	N[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[6]C[6]2)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	114.0030	2.444	2	114.0030	5.972	2	114.0030	5.972	2	114.0030	5.972	2	113.3650	4.395	58	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:	3:4:1:1:	4:2:3:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:O[5]-2:N[6]-3:H-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(N[6]C[6]2)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(N[6]C[6]2)(H){2|C<3>,2|C<4>,4|H<1>}	113.7505	2.521	2	113.7505	6.355	2	113.7505	6.355	2	113.7505	6.355	2	113.3650	4.395	58	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:	3:4:1:1:	4:3:3:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5]-3:N[6]-3:H-1:	N[6](C[5]C[5]2H)(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]2)(H)	N[6](C[5]C[5]2H)(C[6]C[6]HH)2{1|N<4>,3|C<3>,6|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]2)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	113.6995	1.840	4	113.6995	3.384	4	113.6995	3.384	4	113.6995	3.384	4	113.3650	4.395	58	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(N[6]C[6]2)(H)	N[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2{1|N<3>,3|C<4>,7|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(N[6]C[6]2)(H){1|C<3>,4|C<4>,7|H<1>}	113.4055	2.809	2	113.4055	7.892	2	114.8745	9.372	4	112.7944	5.501	16	113.3650	4.395	58	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]ClH)(N[6]C[6]2)(H)	N[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2{1|Cl<1>,1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]ClH)(N[6]C[6]2)(H){2|C<3>,3|C<4>,7|H<1>}	116.3435	3.405	2	116.3435	11.592	2	114.8745	9.372	4	112.7944	5.501	16	113.3650	4.395	58	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:N[6]-3:H-1:	N[6](C[5]C[5]2H)(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H)	N[6](C[5]C[5]2H)(C[6]C[6]HH)2{1|B<4>,3|C<4>,7|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H){2|C<4>,8|H<1>}	113.6112	2.051	4	113.6112	4.205	4	112.1010	2.847	12	112.7944	5.501	16	113.3650	4.395	58	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:N[6]-3:H-1:	N[6](C[5]C[5]2H)(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	N[6](C[5]C[5]2H)(C[6]C[6]HH)2{1|N<3>,2|C<4>,8|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){1|S<4>,2|C<4>,7|H<1>}	111.3459	0.847	8	111.3459	0.717	8	112.1010	2.847	12	112.7944	5.501	16	113.3650	4.395	58	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[5]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]C[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){1|C<4>,5|H<1>,6|C<3>}	112.5860	0.034	2	112.5860	0.001	2	112.8200	0.165	3	112.8200	0.165	3	113.3650	4.395	58	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[5]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]N[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]N[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH){1|N<2>,2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	113.2880	0.000	1	113.2880	0.000	1	112.8200	0.165	3	112.8200	0.165	3	113.3650	4.395	58	113.5192	5.497	73
856	466	474	0:SP3_SP3_SP3	N[6]	C[6]	C[5]	4:4:4:	4:3:1:1:	4:4:3:1:	C[6]-4:C[5]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-4:C[5]-4:N[6]-3:H-1:	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	112.8498	0.183	4	112.8498	0.034	4	112.8498	0.034	4	112.8498	0.034	4	113.3650	4.395	58	113.5192	5.497	73
856	466	474	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[5,3x6]	4:4:3:	3:4:1:1:	4:4:3:1:	C[5,3x6]-4:C[6,6]-4:C-3:	N[6,6]-3:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-3:H-1:	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO)	C[6,6](N[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]Br)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H)	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H)2{1|Br<1>,2|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]Br)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,1|O<1>,5|H<1>}	116.5230	0.000	1	116.5230	0.000	1	116.3365	0.070	2	116.3365	0.070	2	116.3365	0.070	2	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[5,3x6]	4:4:3:	3:4:1:1:	4:4:3:1:	C[5,3x6]-4:C[6,6]-4:C-3:	N[6,6]-3:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-3:H-1:	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO)	C[6,6](N[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H)	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H)2{1|Br<1>,2|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,1|O<1>,5|H<1>}	116.1500	0.000	1	116.1500	0.000	1	116.3365	0.070	2	116.3365	0.070	2	116.3365	0.070	2	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6,6]	C[6]	C[5,6,6]	4:3:4:	3:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:N[6,6]-3:H-1:	N[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)2	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(H)	N[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,4|C<3>,6|H<1>}	113.0645	0.271	2	113.0645	0.073	2	113.0645	0.073	2	113.0645	0.073	2	116.0317	26.449	3	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6,6]	C[6]	C[5,6,6]	4:4:3:	3:4:4:1:	3:4:3:4:	C[5,6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:C[5]-4:	N[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(C[5]C[5]HH)	N[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,3|C<4>,7|H<1>}	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(C[5]C[5]HH){1|O<1>,2|C<3>,3|C<4>,8|H<1>}	121.9660	0.000	1	121.9660	0.000	1	121.9660	0.000	1	121.9660	0.000	1	116.0317	26.449	3	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,5,6]	4:4:3:	4:3:1:1:	4:4:3:1:	C[5,5,6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCO)	C[6](C[6,6]C[5,3x6]C[6]C)(N[6]C[5,5,6]C)(H)2	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCO){1|H<1>,7|C<4>}	C[6](C[6,6]C[5,3x6]C[6]C)(N[6]C[5,5,6]C)(H)2{4|C<4>,4|H<1>}	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	119.4770	0.000	1	120.2700	1.258	2	120.8551	0.506	9	120.8551	0.506	9	120.8551	0.506	9	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,5,6]	4:4:3:	4:3:1:1:	4:4:3:1:	C[5,5,6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCO)	C[6](C[6,6]C[5,3x6]C[6]C)(N[6]C[5,5,6]C)(H)2	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCO){1|H<1>,7|C<4>}	C[6](C[6,6]C[5,3x6]C[6]C)(N[6]C[5,5,6]C)(H)2{4|C<4>,4|H<1>}	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	121.0630	0.000	1	120.2700	1.258	2	120.8551	0.506	9	120.8551	0.506	9	120.8551	0.506	9	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,5,6]	4:4:3:	4:3:1:1:	4:4:3:1:	C[5,5,6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	C[6](C[6,6]C[5,3x6]C[6]C)(N[6]C[5,5,6]C)(H)2	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){1|H<1>,7|C<4>}	C[6](C[6,6]C[5,3x6]C[6]C)(N[6]C[5,5,6]C)(H)2{4|C<4>,4|H<1>}	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	122.0380	0.000	1	122.0380	0.000	1	120.8551	0.506	9	120.8551	0.506	9	120.8551	0.506	9	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,5,6]	4:4:3:	4:3:1:1:	4:4:3:1:	C[5,5,6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	C[6](C[6,6]C[5,3x6]C[6]H)(N[6]C[5,5,6]C)(H)2	C[5,5,6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[6])(C[5,5,6]C[4,5,6,6]C[5,6]H)(N[6]C[6]C)(H)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){2|H<1>,6|C<4>}	C[6](C[6,6]C[5,3x6]C[6]H)(N[6]C[5,5,6]C)(H)2{4|C<4>,4|H<1>}	C[5,5,6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[6])(C[5,5,6]C[4,5,6,6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,5|C<4>,7|H<1>}	120.9657	0.435	3	120.9657	0.190	3	120.8551	0.506	9	120.8551	0.506	9	120.8551	0.506	9	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,5,6]	4:4:3:	4:3:1:1:	4:4:3:1:	C[5,5,6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	C[6](C[6,6]C[5,3x6]C[6]H)(N[6]C[5,5,6]C)(H)2	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,5,6]C[3,5,5,6]C[5,6]H)(N[6]C[6]C)(H)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){2|H<1>,6|C<4>}	C[6](C[6,6]C[5,3x6]C[6]H)(N[6]C[5,5,6]C)(H)2{4|C<4>,4|H<1>}	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,5,6]C[3,5,5,6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,5|C<4>,7|H<1>}	120.6205	0.408	2	120.6205	0.166	2	120.8551	0.506	9	120.8551	0.506	9	120.8551	0.506	9	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,5,6]	4:4:3:	4:3:1:1:	4:4:3:1:	C[5,5,6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	C[6](C[6,6]C[5,3x6]C[6]H)(N[6]C[5,5,6]C)(H)2	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(N[6]C[6]C)(H)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,3x6]C[6]H)(N[6]C[5,5,6]C)(H)2{4|C<4>,4|H<1>}	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	120.9800	0.000	1	120.9800	0.000	1	120.8551	0.506	9	120.8551	0.506	9	120.8551	0.506	9	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,6,6]	4:4:3:	3:4:1:1:	3:4:3:3:	C[5,6,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6,6]-4:C[5]-3:N[6]-3:	N[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(CCO)	C[6](N[6]C[5,6,6]C)(C[6]C[6]HH)(H)2	C[5,6,6](N[5,6]C[5,6a]C[6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6]C[6]C)	N[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(CCO){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[5,6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6,6](N[5,6]C[5,6a]C[6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	119.6120	0.000	2	119.6120	0.000	2	119.6120	0.000	2	119.6120	0.000	2	119.6120	0.000	2	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	3:4:3:3:	C[5,6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[5]-4:C[5]-3:N[6]-3:	N[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]HH)(CCO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[5,6]C)(H)2	C[5,6](C[6]C[5a,6]H)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C)	N[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]HH)(CCO){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[5,6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[6]C[5a,6]H)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	123.1030	0.000	1	123.1030	0.000	1	123.1030	0.000	1	123.1030	0.000	1	117.4654	12.301	21	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	4:3:3:1:	C[5,6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-3:N[6]-3:H-1:	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]O)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(CHO){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]O)(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	115.7320	0.000	1	115.7320	0.000	1	115.7320	0.000	1	115.7760	0.004	2	117.4654	12.301	21	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	4:3:3:1:	C[5,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-3:H-1:H-1:	C[3,5,6]-4:C[5,6a]-3:N[6]-3:H-1:	N[6](C[5,6]C[3,5,6]C[5,6a]H)(C[6]C[6]HH)(CC[6a]O)	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[5,6]C[3,5,6]C[5,6a]H)(C[6]C[6]HH)(CC[6a]O){1|H<1>,2|C<4>,3|C<3>}	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H){4|C<3>,6|H<1>}	115.8200	0.000	1	115.8200	0.000	1	115.8200	0.000	1	115.7760	0.004	2	117.4654	12.301	21	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	4:3:3:3:	C[5,6]-4:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5]-4:N[5]-3:N[6]-3:C[6]-3:	N[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(N[6]C[6a]C[6])(C[6]C[6,6a]O)	N[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(N[6]C[6a]C[6])(C[6]C[6,6a]O){2|H<1>,9|C<3>}	113.7030	0.000	1	113.7030	0.000	1	113.7030	0.000	1	113.7030	0.000	1	117.4654	12.301	21	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)	C[6](N[6]C[5,6]C)(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,6]CH)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[6]C[5,6]C)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,6]CH)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	115.4440	0.000	1	115.4440	0.000	1	115.4440	0.000	1	115.4440	0.000	1	117.4654	12.301	21	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	4:4:3:3:	C[5,6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:N[6]-3:	N[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2	C[5,6](C[6]C[6,6a]HH)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C)	N[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(CCO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[6]C[6,6a]HH)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	119.5090	0.000	1	119.5090	0.000	1	119.5090	0.000	1	119.5090	0.000	1	117.4654	12.301	21	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	3:3:2:1:	3:4:3:3:	C[5,6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HO)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(OH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(N[6]C[6]C)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HO)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.9220	0.000	1	119.9220	0.000	1	119.9220	0.000	1	119.9220	0.000	1	117.4654	12.301	21	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	3:3:4:1:	4:3:3:4:	C[5,6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[5,6]-4:C[5,6a]-3:N[6]-3:C-4:	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]CH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(CCHH)(H)	C[5,6](C[5,6]C[6,6a]C[5]Br)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(CH3)	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]CH)(COO){1|Br<1>,1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]Br)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	122.7010	0.000	1	122.7010	0.000	1	122.7010	0.000	1	122.7010	0.000	1	117.4654	12.301	21	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)	C[6](N[6]C[5,6]C)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO){1|O<2>,3|C<3>,3|H<1>}	C[6](N[6]C[5,6]C)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	119.7700	0.000	1	119.7700	0.000	1	119.7700	0.000	1	119.7700	0.000	1	117.4654	12.301	21	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:3:4:	C[5,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:N[6]-3:C-4:	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CCO)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)(CH3)	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CCO){1|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|C<4>,1|O<1>,6|H<1>}	117.2340	0.000	1	117.2340	0.000	1	117.2340	0.000	1	117.2340	0.000	1	117.4654	12.301	21	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	4:3:3:1:	C[5,6]-4:C[6]-4:N-3:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NOO)	C[6](N[6]C[5,6]N)(C[6]N[6]HH)(H)2	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]N)(N[6]C[6]N)(H)	N[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NOO){1|C<3>,3|H<1>,3|N<3>}	C[6](N[6]C[5,6]N)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]N)(N[6]C[6]N)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	123.4940	0.000	1	123.4940	0.000	1	123.4940	0.000	1	123.4940	0.000	1	117.4654	12.301	21	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	4:4:2:3:	C[5,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CCO)	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(H)2	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CCO){4|H<1>,5|C<4>}	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C){3|C<4>,6|H<1>}	111.6330	0.000	1	111.6330	0.000	1	113.8350	11.024	3	113.8350	11.024	3	117.4654	12.301	21	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	4:4:2:3:	C[5,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(COO)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(COO){4|C<4>,5|H<1>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C){3|C<4>,6|H<1>}	114.9360	3.844	2	114.9360	14.775	2	113.8350	11.024	3	113.8350	11.024	3	117.4654	12.301	21	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CC[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(N[6]C[6]C)(H){1|O<1>,3|C<4>,7|H<1>}	110.7100	0.000	1	110.7100	0.000	1	110.7100	0.000	1	115.4597	17.181	3	117.4654	12.301	21	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O){1|O<2>,2|C<4>,5|H<1>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(N[6]C[6]C)(H){3|C<4>,4|H<1>}	117.8345	0.723	2	117.8345	0.523	2	117.8345	0.523	2	115.4597	17.181	3	117.4654	12.301	21	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	4:4:4:3:	C[5,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	N[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCO)	C[6](N[6]C[5,6]C)(C[6]C[6]HO)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]HO)(N[6]C[6]C)	N[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCO){2|O<2>,3|C<4>,6|H<1>}	C[6](N[6]C[5,6]C)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]HO)(N[6]C[6]C){1|C<4>,3|O<2>,5|H<1>}	117.8690	0.000	1	117.8690	0.000	1	117.8690	0.000	1	117.8690	0.000	1	117.4654	12.301	21	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	4:3:1:1:	3:3:3:4:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-3:C[5]-3:N[6]-3:C-4:	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(COO)	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]C)(H)2	C[5,6](C[5,5,6]C[5,5,6]N[5])(C[5]C[5]O)(N[6]C[6]C)(CH3)	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(COO){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]C)(H)2{2|C<4>,3|C<3>}	C[5,6](C[5,5,6]C[5,5,6]N[5])(C[5]C[5]O)(N[6]C[6]C)(CH3){2|C<4>,2|H<1>,3|C<3>}	117.4920	0.000	1	117.4920	0.000	1	117.4920	0.000	1	117.4920	0.000	1	117.4654	12.301	21	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	4:3:1:1:	4:3:3:4:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:N[6]-3:C-4:	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(COO)	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]C)(H)2	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]C)(CH3)	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(COO){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]C)(H)2{2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]C)(CH3){2|C<3>,2|C<4>,4|H<1>}	119.0050	0.000	1	119.0050	0.000	1	119.0050	0.000	1	119.0050	0.000	1	117.4654	12.301	21	118.2287	11.189	37
856	466	474	6:SP2_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	3:3:1:1:	3:3:4:3:	C[5,6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[5]-3:C[5]-4:N[6]-3:	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]HH)(CCHH)	C[6](N[6]C[6,6a]S)(N[6]C[5,6]C)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C)	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]HH)(CCHH){1|C<4>,1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]S)(N[6]C[5,6]C)(H)2{1|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C){2|N<3>,3|C<3>,5|H<1>}	118.0920	0.000	1	118.0920	0.000	1	118.0920	0.000	1	118.0920	0.000	1	117.4654	12.301	21	118.2287	11.189	37
856	466	474	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[5,4x6]	4:4:4:	3:4:1:1:	3:3:4:3:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:C[6,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-3:	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2	C[6,6](N[3x6]C[5,4x6]C[6,6])(C[6,6]N[3x6]HH)(H)2	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2)	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2{1|N<4>,4|H<1>,6|C<3>}	C[6,6](N[3x6]C[5,4x6]C[6,6])(C[6,6]N[3x6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2){2|C<4>,5|H<1>,8|C<3>}	110.0675	0.316	2	110.0675	0.100	2	110.0477	0.043	4	110.0477	0.043	4	110.0477	0.043	4	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[5,4x6]	4:4:4:	3:4:1:1:	3:3:4:3:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-3:C[6,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-3:	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2	C[6,6](N[3x6]C[5,4x6]C[6,6])(C[6,6]N[3x6]HH)(H)2	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2)	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2{1|N<4>,4|H<1>,6|C<3>}	C[6,6](N[3x6]C[5,4x6]C[6,6])(C[6,6]N[3x6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2){2|C<4>,5|H<1>,8|C<3>}	110.0280	0.165	2	110.0280	0.027	2	110.0477	0.043	4	110.0477	0.043	4	110.0477	0.043	4	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[5,3x6]	4:4:4:	3:3:4:1:	4:3:4:1:	C[5,3x6]-4:C[3x6]-4:C[6,6]-4:	N[4x6]-3:C[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:N[4x6]-3:C[5,6]-4:H-1:	N[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]CH)	C[3x6](N[4x6]C[5,3x6]C[6,6])(C[5,6]C[5,5,6]N[5])(C[6,6]C[3x6]HH)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(N[4x6]C[3x6]C[6,6])(C[5,6]C[5,5,6]HH)(H)	N[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]CH){1|N<2>,4|C<4>,6|H<1>}	C[3x6](N[4x6]C[5,3x6]C[6,6])(C[5,6]C[5,5,6]N[5])(C[6,6]C[3x6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(N[4x6]C[3x6]C[6,6])(C[5,6]C[5,5,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	108.7520	0.000	1	108.7520	0.000	1	108.7520	0.000	1	108.7520	0.000	1	108.7520	0.000	1	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[4x6]	C[6,6]	C[5,3x6]	4:4:4:	3:4:4:1:	4:3:4:1:	C[5,3x6]-4:C[3x6]-4:C[6,6]-4:	N[4x6]-3:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:N[4x6]-3:C[5,6]-4:H-1:	N[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]CH)	C[6,6](N[4x6]C[5,3x6]C[3x6])(C[6,6]C[3x6]CH)(CH3)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(N[4x6]C[3x6]C[6,6])(C[5,6]C[5,5,6]HH)(H)	N[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]CH){1|N<2>,4|C<4>,6|H<1>}	C[6,6](N[4x6]C[5,3x6]C[3x6])(C[6,6]C[3x6]CH)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(N[4x6]C[3x6]C[6,6])(C[5,6]C[5,5,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	108.8240	0.000	1	108.8240	0.000	1	108.8240	0.000	1	108.8240	0.000	1	108.8240	0.000	1	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[5,6,6]	4:4:1:	3:4:3:1:	4:3:3:1:	C[5,6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:N[6,6]-3:H-1:	N[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[5,6,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6])(N[6,6]C[6,6]H)(H)	N[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|H<1>}	C[5,6,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6])(N[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	110.4580	0.000	1	110.4580	0.000	1	110.4580	0.000	1	110.4580	0.000	1	109.6856	1.634	5	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[5,6,6]	4:4:1:	3:4:4:1:	4:3:4:2:	C[5,6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:N[6,6]-3:C[6]-4:O[5]-2:	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6]2H)(H)	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]HH)2(H)	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]H)(C[6]C[6]CH)(O[5]C[5])	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6]2H)(H){5|C<4>,6|H<1>}	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]H)(C[6]C[6]CH)(O[5]C[5]){1|O<2>,2|C<4>,8|H<1>}	109.2197	1.565	3	109.2197	2.448	3	109.2197	2.448	3	109.2197	2.448	3	109.6856	1.634	5	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[5,6,6]	4:4:2:	3:4:2:1:	4:3:4:4:	C[5,6,6]-4:C[6,6]-4:O-2:	N[6,6]-3:C[6]-4:O[6]-2:H-1:	C[5,6]-4:N[6,6]-3:C[5]-4:C[6]-4:	N[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(OH)	C[6,6](N[6,6]C[5,6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	N[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(OH){4|C<4>,7|H<1>}	C[6,6](N[6,6]C[5,6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,9|H<1>}	110.3110	0.000	1	110.3110	0.000	1	110.3110	0.000	1	110.3110	0.000	1	109.6856	1.634	5	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[5,6]	4:4:4:	3:3:4:1:	3:4:2:4:	C[6,6]-4:C[5,6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[5,6]-4:O[5]-2:C-4:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){2|C<3>,2|C<4>,8|H<1>}	112.0700	0.696	2	112.0700	0.484	2	112.0700	0.484	2	112.0700	0.484	2	110.3630	8.984	3	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[5,6]	4:4:4:	3:3:4:1:	4:3:4:1:	C[6,6]-4:C[5,6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6,6]-3:C[5]-4:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6,6]C[6,6]C[6])(C[5]C[5]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6,6]C[6,6]C[6])(C[5]C[5]HH)(H){3|C<3>,3|C<4>,8|H<1>}	106.9490	0.000	1	106.9490	0.000	1	106.9490	0.000	1	106.9490	0.000	1	110.3630	8.984	3	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6,6]	C[6]	C[5,3x6]	4:4:3:	3:4:1:1:	3:4:3:3:	C[5,3x6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[5,6,6]-3:C[6,6]-4:C[5]-3:N[6,6]-3:	N[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6,6]C[6]2)	N[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6,6]C[6]2){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	114.6830	0.000	1	114.6830	0.000	1	114.6830	0.000	1	114.6830	0.000	1	111.2630	3.691	5	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6,6]	C[6]	C[5,3x6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[5,6,6]-4:N[5,6,6]-4:N[6,6]-3:H-1:	N[6,6](C[5,3x6]N[5,6,6]2H)(C[6]C[6]HH)2	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2	C[5,3x6](N[5,6,6]C[5]C[6]2)2(N[6,6]C[6]2)(H)	N[6,6](C[5,3x6]N[5,6,6]2H)(C[6]C[6]HH)2{4|H<1>,6|C<4>}	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<4>,5|H<1>}	C[5,3x6](N[5,6,6]C[5]C[6]2)2(N[6,6]C[6]2)(H){16|H<1>,3|C<4>}	110.4080	0.220	4	110.4080	0.048	4	110.4080	0.048	4	110.4080	0.048	4	111.2630	3.691	5	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6,6]	C[6]	C[5,6,6]	4:4:4:	3:3:1:1:	4:4:3:4:	C[5,6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:N[6,6]-3:C-4:	N[6,6](C[5,6,6]C[3,5,6]C[5,6]C)(C[6]C[6]HH)2	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)2	C[5,6,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(CCHH)	N[6,6](C[5,6,6]C[3,5,6]C[5,6]C)(C[6]C[6]HH)2{1|C<3>,4|C<4>,4|H<1>}	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[5,6,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(CCHH){11|H<1>,1|C<3>,1|C<4>,1|O<2>}	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	110.9290	0.198	2	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:4:	C[5,6,6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:N[6,6]-3:C-4:	N[6,6](C[5,6,6]C[3,5,6]C[5,6]C)(C[6]C[6]HH)2	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(CCHH)	N[6,6](C[5,6,6]C[3,5,6]C[5,6]C)(C[6]C[6]HH)2{1|C<3>,4|C<4>,4|H<1>}	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(CCHH){11|H<1>,1|C<3>,1|C<4>,1|O<2>}	111.2440	0.000	1	111.2440	0.000	1	111.2440	0.000	1	111.2440	0.000	1	110.9290	0.198	2	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6,6]	C[5,6]	4:4:1:	3:4:4:4:	4:3:4:1:	C[5,6]-4:C[6,6]-4:H-1:	N[6]-3:C[6]-4:C[6]-4:C[6]-4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]3)(H)	C[6,6](N[6]C[5,6]H)(C[6]C[6]HH)2(C[6]N[6]HH)	C[5,6](C[5,6]C[5]N[6]H)(N[6]C[6,6]H)(C[5]O[5]HH)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]3)(H){1|N<3>,1|O<2>,3|C<4>,9|H<1>}	C[6,6](N[6]C[5,6]H)(C[6]C[6]HH)2(C[6]N[6]HH){4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(N[6]C[6,6]H)(C[5]O[5]HH)(H){2|H<1>,4|C<4>}	110.0690	0.000	1	110.0690	0.000	1	110.0690	0.000	1	110.0690	0.000	1	110.0690	0.000	1	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,5,3x6]	4:4:1:	3:4:4:1:	4:3:2:3:	C[5,5,3x6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[5,6,6]-4:N[5,3x6]-3:O[5,5]-2:N[6]-3:	N[6](C[5,5,3x6]C[5,6,6]N[5,3x6]O[5,5])(C[6]C[6]CH)(H)	C[6](N[6]C[5,5,3x6]H)(C[6]C[6,6]CH)(CH3)(H)	C[5,5,3x6](C[5,6,6]C[6,6a]C[5,6]H)(N[5,3x6]C[5,6]C[6,6])(O[5,5]C[5,5,6])(N[6]C[6]H)	N[6](C[5,5,3x6]C[5,6,6]N[5,3x6]O[5,5])(C[6]C[6]CH)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[5,5,3x6]H)(C[6]C[6,6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,5,3x6](C[5,6,6]C[6,6a]C[5,6]H)(N[5,3x6]C[5,6]C[6,6])(O[5,5]C[5,5,6])(N[6]C[6]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	110.3530	0.000	1	110.3530	0.000	1	110.3530	0.000	1	110.3530	0.000	1	110.3530	0.000	1	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,5,6]	4:4:1:	3:2:4:1:	4:4:4:3:	C[5,5,6]-4:C[6]-4:H-1:	N[6]-3:O[6]-2:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:N[6]-3:	N[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]O[6]CH)(H)	C[6](N[6]C[5,5,6]H)(O[6]C[6])(CH3)(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(N[6]C[6]H)	N[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]O[6]CH)(H){2|O<2>,3|C<4>,4|H<1>}	C[6](N[6]C[5,5,6]H)(O[6]C[6])(CH3)(H){2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(N[6]C[6]H){1|O<2>,2|C<4>,6|H<1>}	114.8540	0.000	1	114.8540	0.000	1	114.8540	0.000	1	114.8540	0.000	1	118.4330	25.618	2	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,5,6]	4:4:3:	4:3:1:1:	4:4:3:1:	C[5,5,6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	C[6](C[6,6]C[5,3x6]C[6]C)(N[6]C[5,5,6]C)(H)2	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){1|H<1>,7|C<4>}	C[6](C[6,6]C[5,3x6]C[6]C)(N[6]C[5,5,6]C)(H)2{4|C<4>,4|H<1>}	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	122.0120	0.000	1	122.0120	0.000	1	122.0120	0.000	1	122.0120	0.000	1	118.4330	25.618	2	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6,6]	4:4:1:	3:3:3:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:H-1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[5,6,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6]H)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]N[6]H)(H){2|H<1>,3|C<4>,4|C<3>}	C[6](N[6]C[5,6,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	109.0990	0.000	1	109.0990	0.000	1	109.0990	0.000	1	109.0990	0.000	1	114.7075	6.638	26	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6,6]	4:4:1:	3:4:1:1:	4:4:4:3:	C[5,6,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:N[6]-3:	N[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(H)	C[6](N[6]C[5,6,6]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(N[6]C[6]H)	N[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](N[6]C[5,6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(N[6]C[6]H){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	111.8840	0.000	1	111.8840	0.000	1	111.8840	0.000	1	111.8840	0.000	1	114.7075	6.638	26	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6,6]	4:4:4:	3:2:3:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:S-4:	N[6]-3:O[6]-2:C-3:H-1:	C[5,5,6,6]-4:C[5,6]-4:N[6]-3:H-1:	N[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]CH)(SC[6a]OO)	C[6](N[6]C[5,6,6]S)(O[6]C[6])(CC[6a]O)(H)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(N[6]C[6]S)(H)	N[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]CH)(SC[6a]OO){2|H<1>,4|C<4>}	C[6](N[6]C[5,6,6]S)(O[6]C[6])(CC[6a]O)(H){2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(N[6]C[6]S)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	117.3740	0.000	1	117.3740	0.000	1	117.3740	0.000	1	117.3740	0.000	1	114.7075	6.638	26	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:2:	C[5,6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:N[6]-3:O[5]-2:	N[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(CCHH)	C[6](N[6]C[5,6,6]C)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]HH)(N[6]C[6]C)(O[5]C[5])	N[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(CCHH){1|C<3>,4|C<4>,4|H<1>}	C[6](N[6]C[5,6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]HH)(N[6]C[6]C)(O[5]C[5]){1|O<1>,5|C<4>,7|H<1>}	109.6505	0.532	2	109.6505	0.284	2	109.6505	0.284	2	109.6505	0.284	2	114.7075	6.638	26	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6,6]	4:4:4:	4:3:1:1:	4:2:3:1:	C[5,6,6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:O[5,6]-2:N[6]-3:H-1:	N[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[5,6,6]HH)(N[6]C[5,6,6]S)(H)2	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6]C[6]S)(H)	N[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(SC[6a]OO){3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[5,6,6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6]C[6]S)(H){2|C<4>,6|H<1>}	115.7680	0.000	1	115.7680	0.000	1	115.7680	0.000	1	115.7680	0.000	1	114.7075	6.638	26	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6,6]	4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H)	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH){1|O<2>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H){4|O<2>,5|H<1>,6|C<4>}	114.8100	0.000	1	115.2140	0.326	2	115.4343	0.309	3	115.4485	2.941	20	114.7075	6.638	26	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6,6]	4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H)	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH){1|O<2>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{4|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H){4|O<2>,5|H<1>,6|C<4>}	115.6180	0.000	1	115.2140	0.326	2	115.4343	0.309	3	115.4485	2.941	20	114.7075	6.638	26	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6,6]	4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[5,6,6]C)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H)	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,1|O<2>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[5,6,6]C)(H)2{4|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H){3|O<2>,6|C<4>,6|H<1>}	115.8750	0.000	1	115.8750	0.000	1	115.4343	0.309	3	115.4485	2.941	20	114.7075	6.638	26	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6,6]	4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	114.9248	2.185	6	114.9369	3.846	12	115.4510	3.454	17	115.4485	2.941	20	114.7075	6.638	26	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6,6]	4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){4|O<2>,5|C<4>,5|H<1>}	116.5540	0.000	1	114.9369	3.846	12	115.4510	3.454	17	115.4485	2.941	20	114.7075	6.638	26	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6,6]	4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	115.3620	0.000	1	114.9369	3.846	12	115.4510	3.454	17	115.4485	2.941	20	114.7075	6.638	26	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6,6]	4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{4|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	114.4445	2.212	4	114.9369	3.846	12	115.4510	3.454	17	115.4485	2.941	20	114.7075	6.638	26	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6,6]	4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[6]C[6]C)(H)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{4|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	117.9470	0.000	1	117.9470	0.000	1	115.4510	3.454	17	115.4485	2.941	20	114.7075	6.638	26	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6,6]	4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[5,6,6]C)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,1|O<2>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[5,6,6]C)(H)2{4|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	116.1920	0.129	2	116.1920	0.017	2	115.4510	3.454	17	115.4485	2.941	20	114.7075	6.638	26	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6,6]	4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3){1|H<1>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	116.5465	0.213	2	116.5465	0.045	2	115.4510	3.454	17	115.4485	2.941	20	114.7075	6.638	26	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:3:4:	3:3:1:1:	4:3:4:1:	C[5,6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	C[5,6,6]-4:N[6]-3:C[5]-4:H-1:	N[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[5,6]C[6a])(C[6]C[6,6]H)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(N[6]C[6a]C[6])(C[5]C[5]HO)(H)	N[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6,6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(N[6]C[6a]C[6])(C[5]C[5]HO)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	106.9650	0.000	1	106.9650	0.000	1	106.9650	0.000	1	106.9650	0.000	1	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:4:3:1:	C[5,6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6a]C[6])(H)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|H<1>,5|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6a]C[6])(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	115.0860	0.000	1	115.0860	0.000	1	115.0860	0.000	1	115.0860	0.000	1	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:1:	3:3:4:1:	3:3:3:3:	C[5,6]-4:C[6]-4:H-1:	N[6]-3:N[6]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:N[6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]CH)(H)	C[6](N[6]C[5,6]H)(N[6]C[6]O)(CF3)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)(N[6]C[6]O)	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]CH)(H){1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[6](N[6]C[5,6]H)(N[6]C[6]O)(CF3)(H){1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)(N[6]C[6]O){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	113.3320	0.000	1	113.3320	0.000	1	113.3320	0.000	1	113.3320	0.000	1	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:1:	3:3:4:1:	4:4:3:3:	C[5,6]-4:C[6]-4:H-1:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[5]-4:C[6]-4:C[5]-3:N[6]-3:	N[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[5,6]H)(C[6]C[6]CH)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)(N[6]C[6]H)	N[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6]H)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	112.1470	0.000	1	112.1470	0.000	1	112.1470	0.000	1	112.1470	0.000	1	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:1:	3:4:1:1:	3:3:4:3:	C[5,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:N[6]-3:	N[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(N[6]C[6]H)	N[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,8|H<1>}	112.3060	0.000	1	112.3060	0.000	1	112.3060	0.000	1	112.3060	0.000	1	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:1:	3:4:1:1:	4:4:2:3:	C[5,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]CH)(H)2	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[6](N[6]C[5,6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]H){3|C<4>,6|H<1>}	112.7360	0.000	1	112.7360	0.000	1	112.7360	0.000	1	112.7360	0.000	1	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:1:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](N[6]C[5,6]H)(C[6]S[6]HH)(H)2	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(N[6]C[6]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,1|S<4>,4|H<1>}	C[6](N[6]C[5,6]H)(C[6]S[6]HH)(H)2{1|H<1>,2|C<4>,2|O<1>}	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(N[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	114.4540	0.000	1	114.4540	0.000	1	114.4540	0.000	1	114.4540	0.000	1	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:1:	4:3:1:1:	4:3:3:4:	C[5,6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:N[6]-3:C-4:	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]H)(H)2	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]H)(CH3)	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]H)(H)2{2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]H)(CH3){2|C<3>,2|C<4>,4|H<1>}	116.2585	0.781	2	116.2585	0.611	2	116.2585	0.611	2	116.2585	0.611	2	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:Cl-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,3x6]C[5,6,6]H)(C[6]C[6,6]HH)(Cl)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[5,6]Cl)(H)2	C[5,6](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(N[6]C[6]Cl)(H)	N[6](C[5,6]C[5,3x6]C[5,6,6]H)(C[6]C[6,6]HH)(Cl){1|H<1>,7|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[5,6]Cl)(H)2{4|C<4>,4|H<1>}	C[5,6](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(N[6]C[6]Cl)(H){1|O<2>,7|C<4>,7|H<1>}	114.4270	0.000	1	114.4270	0.000	1	114.4270	0.000	1	114.4270	0.000	1	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:1:	4:3:1:1:	4:4:3:4:	C[5,6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:N[6]-3:C-4:	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]CH)(N[6]C[5,6]H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CCHH)	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(N[6]C[5,6]H)(H)2{5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CCHH){1|C<3>,4|C<4>,6|H<1>}	113.5810	0.057	2	113.5810	0.003	2	113.5810	0.003	2	113.5810	0.003	2	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:1:	4:3:3:3:	3:3:3:3:	C[5,6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-3:C-3:	N[5a,6]-3:C[5,6a]-3:C[5]-3:N[6]-3:	N[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[6]CC)(H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[5,6]H)(COO)2	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)	N[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[6]CC)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[5,6]H)(COO)2{1|N<3>,5|C<3>}	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H){1|H<1>,2|C<4>,7|C<3>}	120.1260	0.000	1	120.1260	0.000	1	120.1260	0.000	1	120.1260	0.000	1	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:2:	3:4:4:1:	4:4:4:3:	C[5,6]-4:C[6]-4:O-2:	N[6]-3:C[6]-4:C-4:H-1:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	N[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)	C[6](N[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(H)	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(N[6]C[6]O)	N[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH){4|C<4>,7|H<1>}	C[6](N[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(H){2|H<1>,3|C<4>}	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(N[6]C[6]O){2|C<4>,7|H<1>}	112.3650	0.000	1	112.3650	0.000	1	112.3650	0.000	1	112.3650	0.000	1	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	3:3:4:1:	C[5,6]-4:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H){4|C<3>,6|H<1>}	109.9330	0.000	1	111.5380	5.152	2	111.5380	5.152	2	111.5380	5.152	2	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	3:3:4:1:	C[5,6]-4:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H){4|C<3>,6|H<1>}	113.1430	0.000	1	111.5380	5.152	2	111.5380	5.152	2	111.5380	5.152	2	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	4:3:3:2:	C[5,6]-4:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5]-4:N[6]-3:C[6]-3:O[5]-2:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2	C[5,6](C[5]C[6a]C[5]H)(N[6]C[6a]C[6])(C[6]C[6,6a]O)(O[5]N[5])	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[6]C[6a]C[6])(C[6]C[6,6a]O)(O[5]N[5]){2|H<1>,7|C<3>}	115.3780	0.000	1	115.3780	0.000	1	115.3780	0.000	1	115.3780	0.000	1	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:3:4:	C[5,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:N[6]-3:C-4:	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CCO)	C[6](N[6]C[5,6]C)(C[6]C[6]CC)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)(CH3)	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CCO){1|C<3>,2|H<1>,4|C<4>}	C[6](N[6]C[5,6]C)(C[6]C[6]CC)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|C<4>,1|O<1>,6|H<1>}	116.5290	0.000	1	116.5290	0.000	1	116.5290	0.000	1	116.5290	0.000	1	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	4:3:3:1:	C[5,6]-4:C[6]-4:N-3:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NOO)	C[6](N[6]C[5,6]N)(C[6]N[6]HH)(H)2	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]H)(N[6]C[6]N)(H)	N[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NOO){1|C<3>,2|N<3>,4|H<1>}	C[6](N[6]C[5,6]N)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]H)(N[6]C[6]N)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	116.9270	0.000	1	116.9270	0.000	1	116.9270	0.000	1	116.9270	0.000	1	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,4|H<1>}	110.5190	0.000	1	110.5190	0.000	1	110.5190	0.000	1	110.5190	0.000	1	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	3:2:4:4:	3:4:3:1:	C[5,6]-4:C[6]-4:C-4:	N[6]-3:O[6]-2:C-4:C-4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CC)(CC[6a]HH)	C[6](N[6]C[5,6]C)(O[6]C[6])(CH3)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CC)(CC[6a]HH){2|C<3>,3|C<4>}	C[6](N[6]C[5,6]C)(O[6]C[6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	117.7370	0.000	1	117.7370	0.000	1	117.7370	0.000	1	117.7370	0.000	1	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	3:3:1:1:	4:3:3:1:	C[5,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(CHHN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(CHHN){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	109.2480	0.000	1	109.2480	0.000	1	109.2480	0.000	1	113.0930	29.568	2	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	3:3:1:1:	4:3:3:1:	C[5,6]-4:C[6]-4:S-4:	N[6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(SC[6a]OO)	C[6](N[6]C[6a]C[6])(N[6]C[5,6]S)(H)2	C[5,6](C[5,6]C[6a]C[6]N[5])(N[5]C[6a]C[5])(N[6]C[6]S)(H)	N[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(SC[6a]OO){1|N<3>,2|C<4>,3|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[5,6]S)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6a]C[6]N[5])(N[5]C[6a]C[5])(N[6]C[6]S)(H){1|N<3>,5|C<3>,6|H<1>}	116.9380	0.000	1	116.9380	0.000	1	116.9380	0.000	1	113.0930	29.568	2	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	3:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6a]C[6])(N[6]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[5,6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H){3|H<1>,5|C<3>}	112.0977	1.484	3	112.0977	2.203	3	112.0977	2.203	3	113.6284	4.922	7	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	3:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]S)(H)2	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(N[6]C[6]S)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(N[6]C[6]S)(H){2|H<1>,4|C<3>}	112.9860	0.000	2	112.9860	0.000	2	114.7765	4.275	4	113.6284	4.922	7	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	3:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]S)(H)2	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]S)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]S)(H){2|H<1>,4|C<3>}	116.5670	0.000	2	116.5670	0.000	2	114.7765	4.275	4	113.6284	4.922	7	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	3:3:2:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C-4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(O[6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){3|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	109.6613	0.519	3	109.6613	0.269	3	109.6613	0.269	3	109.6613	0.269	3	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:3:3:1:	C[5,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:N[6]-3:H-1:	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]HH)(CCHH)	C[6](N[6]C[5,6]C)(C[6]C[6]HN)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[5,6]C)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	108.5640	0.000	1	108.5640	0.000	1	108.5640	0.000	1	108.5640	0.000	1	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|O<2>,3|H<1>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>}	109.2460	0.000	1	109.2460	0.000	1	109.2460	0.000	1	112.8140	25.461	2	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:3:1:	C[5,6]-4:C[6]-4:S-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H){1|C<4>,2|C<3>,7|H<1>}	116.3820	0.000	1	116.3820	0.000	1	116.3820	0.000	1	112.8140	25.461	2	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	4:3:2:2:	C[5,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O[5]-2:O[5]-2:	N[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]CS)(N[6]C[6]C)(O[5]C[5])2	N[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH){1|S<2>,2|H<1>,4|C<4>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[6]C[6]CS)(N[6]C[6]C)(O[5]C[5])2{1|C<4>,8|H<1>}	112.9060	0.000	1	112.9060	0.000	1	112.9060	0.000	1	112.9060	0.000	1	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	4:3:3:2:	C[5,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-3:N[6]-3:O-2:	N[6](C[5,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(CCHH)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,3x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]O)(N[6]C[6]C)(OH)	N[6](C[5,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(CCHH){1|O<1>,2|H<1>,4|C<4>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,6](C[5,3x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]O)(N[6]C[6]C)(OH){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	109.7030	0.106	2	109.7030	0.011	2	109.7030	0.011	2	109.7030	0.011	2	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]CH)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	113.3710	0.000	1	113.3710	0.000	1	112.7080	0.879	2	113.7190	3.506	3	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]HS)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]HS)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	112.0450	0.000	1	112.0450	0.000	1	112.7080	0.879	2	113.7190	3.506	3	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:S-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]S)(H)	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]S)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	115.7410	0.000	1	115.7410	0.000	1	115.7410	0.000	1	113.7190	3.506	3	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	4:4:4:3:	C[5,6]-4:C[6]-4:S-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	N[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(SO3)	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(N[6]C[6]S)	N[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(SO3){3|C<4>,8|H<1>}	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(N[6]C[6]S){1|C<3>,1|C<4>,7|H<1>}	113.9140	0.000	1	113.9140	0.000	1	113.9140	0.000	1	113.9140	0.000	1	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	3:4:4:1:	3:4:3:1:	C[5,6]-4:C[6]-4:S-4:	N[6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(N[6]C[6]S)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(N[6]C[6]S)(H){1|S<4>,2|C<4>,4|H<1>}	118.3850	0.417	2	118.3850	0.174	2	118.3850	0.174	2	118.3850	0.174	2	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	4:3:1:1:	4:3:3:1:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:N[6]-3:H-1:	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]C[5,6]C)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5]C[5]C)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CH3){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]C[5,6]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5]C[5]C)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	112.4113	0.141	3	112.4113	0.020	3	112.4113	0.020	3	112.4113	0.020	3	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CC[6a]HH)	C[6](C[6,6]C[6]2N[6])(N[6]C[5,6]C)(H)2	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]HH)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CC[6a]HH){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6]2N[6])(N[6]C[5,6]C)(H)2{4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]HH)(N[6]C[6]C)(H){1|C<4>,5|H<1>}	106.7770	0.000	1	106.7770	0.000	1	106.7770	0.000	1	114.0808	17.408	5	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[5,6]HH)(N[6]C[5,6]S)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HO)(N[6]C[6]S)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[5,6]S)(H)2{2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HO)(N[6]C[6]S)(H){1|C<4>,5|H<1>}	116.8030	0.000	1	116.8030	0.000	1	115.9068	0.983	4	114.0808	17.408	5	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[5,6]HH)(N[6]C[5,6]S)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(N[6]C[6]S)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[5,6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(N[6]C[6]S)(H){1|C<4>,3|H<1>}	115.2090	0.000	1	115.2090	0.000	1	115.9068	0.983	4	114.0808	17.408	5	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[5,6]HO)(N[6]C[5,6]S)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(N[6]C[6]S)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]HO)(N[6]C[5,6]S)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(N[6]C[6]S)(H){1|C<4>,1|S<4>,3|H<1>}	115.8075	1.281	2	115.8075	1.640	2	115.9068	0.983	4	114.0808	17.408	5	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	4:3:3:1:	4:3:3:1:	C[5,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6,6]-4:C[5,6]-3:N[6]-3:H-1:	N[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]C[6a]H)(CH3)	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[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]N[5,6]C[6])(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]C[6a]H)(CH3){1|N<2>,1|N<3>,3|C<4>,4|C<3>}	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>}	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]N[5,6]C[6])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	112.7930	0.000	1	112.7930	0.000	1	112.7930	0.000	1	114.8060	8.104	2	113.4537	9.293	55	113.1613	10.112	106
856	466	474	6:SP3_SP3_SP3	N[6]	C[6]	C[5,6]	4:4:4:	4:3:3:1:	4:3:3:1:	C[5,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]C[5,6]HH)(N[6]C[5,6]C)(COO)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]O)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[5,6]C)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]O)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	116.8190	0.000	1	116.8190	0.000	1	116.8190	0.000	1	114.8060	8.104	2	113.4537	9.293	55	113.1613	10.112	106
856	466	478	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C[4]	4:4:4:	3:3:4:1:	3:4:4:3:	C[6,6]-4:C[6,6]-4:C[4]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[4]-4:C[4]-4:C-3:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(C[4]C[4]2C)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[4])(C[6]N[6]HH)(H)	C[4](N[6,6]C[6,6]2)(C[4]C[4]HH)2(CNO)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(C[4]C[4]2C){1|C<3>,1|C<4>,1|O<1>,2|N<3>,8|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[4])(C[6]N[6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	C[4](N[6,6]C[6,6]2)(C[4]C[4]HH)2(CNO){2|C<3>,2|C<4>,4|H<1>}	116.5990	0.000	1	116.5990	0.000	1	116.5990	0.000	1	116.5990	0.000	1	116.2385	0.260	2	114.5129	3.287	14
856	466	478	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C[4]	4:4:4:	3:4:3:1:	3:4:4:3:	C[6,6]-4:C[6,6]-4:C[4]-4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[4]-4:C[4]-4:C-3:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(C[4]C[4]2C)	C[6,6](N[6,6]C[6,6]C[4])(C[6]C[5a,6]HH)(C[6]N[6]O)(H)	C[4](N[6,6]C[6,6]2)(C[4]C[4]HH)2(CNO)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(C[4]C[4]2C){1|C<3>,1|C<4>,1|O<1>,2|N<3>,8|H<1>}	C[6,6](N[6,6]C[6,6]C[4])(C[6]C[5a,6]HH)(C[6]N[6]O)(H){2|H<1>,3|C<3>,3|C<4>}	C[4](N[6,6]C[6,6]2)(C[4]C[4]HH)2(CNO){2|C<3>,2|C<4>,4|H<1>}	115.8780	0.000	1	115.8780	0.000	1	115.8780	0.000	1	115.8780	0.000	1	116.2385	0.260	2	114.5129	3.287	14
856	466	478	0:SP3_SP3_SP3	N[6]	C[6]	C[4,5]	4:4:4:	3:4:1:1:	3:4:3:3:	C[4,5]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[4,5]-3:B[4]-4:C[5]-3:N[6]-3:	N[6](C[4,5]C[4,5]B[4]C[5])(C[6]C[6]HH)2	C[6](N[6]C[4,5]C[6])(C[6]C[6]HH)(H)2	C[4,5](C[4,5]N[4,6]C[5])(B[4]N[4,6]FF)(C[5]B[5]N[6])(N[6]C[6]2)	N[6](C[4,5]C[4,5]B[4]C[5])(C[6]C[6]HH)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>,1|N<4>,2|F<1>,4|H<1>}	C[6](N[6]C[4,5]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,2|C<3>,4|H<1>}	C[4,5](C[4,5]N[4,6]C[5])(B[4]N[4,6]FF)(C[5]B[5]N[6])(N[6]C[6]2){1|N<3>,2|C<3>,4|H<1>,6|C<4>}	115.4645	1.490	2	115.4645	2.220	2	115.4645	2.220	2	115.4645	2.220	2	115.4645	2.220	2	114.5129	3.287	14
856	466	478	0:SP3_SP3_SP3	N[6]	C[6]	C[4]	4:4:4:	3:4:1:1:	3:4:3:4:	C[4]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[4,6a]-3:C[4]-4:N[6]-3:C-4:	N[6](C[4]C[4,6a]C[4]C)(C[6]C[6]HH)2	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2	C[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CO)(N[6]C[6]2)(CCHH)	N[6](C[4]C[4,6a]C[4]C)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CO)(N[6]C[6]2)(CCHH){2|C<3>,2|C<4>,5|H<1>}	114.5658	0.741	4	114.5658	0.550	4	114.7652	0.684	8	114.7652	0.684	8	113.9775	3.291	10	114.5129	3.287	14
856	466	478	0:SP3_SP3_SP3	N[6]	C[6]	C[4]	4:4:4:	3:4:1:1:	3:4:3:4:	C[4]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[4,6a]-3:C[4]-4:N[6]-3:C-4:	N[6](C[4]C[4,6a]C[4]C)(C[6]C[6]HH)2	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2	C[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]C[6]O)(N[6]C[6]2)(CCHH)	N[6](C[4]C[4,6a]C[4]C)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]C[6]O)(N[6]C[6]2)(CCHH){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	114.9647	0.970	4	114.9647	0.941	4	114.7652	0.684	8	114.7652	0.684	8	113.9775	3.291	10	114.5129	3.287	14
856	466	478	0:SP3_SP3_SP3	N[6]	C[6]	C[4]	4:4:4:	3:4:1:1:	4:4:3:1:	C[4]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[4]-4:C[4]-4:N[6]-3:H-1:	N[6](C[4]C[4]2H)(C[6]C[6]HH)2	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2	C[4](C[4]N[4]HH)2(N[6]C[6]2)(H)	N[6](C[4]C[4]2H)(C[6]C[6]HH)2{1|N<3>,1|O<2>,8|H<1>}	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	C[4](C[4]N[4]HH)2(N[6]C[6]2)(H){1|C<3>,2|C<4>,4|H<1>}	110.8265	0.090	2	110.8265	0.008	2	110.8265	0.008	2	110.8265	0.008	2	113.9775	3.291	10	114.5129	3.287	14
856	466	478	6:SP2_SP3_SP3	N[6]	C[6]	C[4,6,6]	4:4:3:	3:4:4:1:	4:4:4:3:	C[4,6,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:C-4:H-1:	C[3,4,6]-4:C[4,6,6]-4:C[6]-4:N[6]-3:	N[6](C[4,6,6]C[3,4,6]C[4,6,6]C[6])(C[6]C[6]CH)(COO)	C[6](N[6]C[4,6,6]C)(C[6]C[3,6]HH)(CCHH)(H)	C[4,6,6](C[3,4,6]C[3,4,6]C[3,6]H)(C[4,6,6]C[3,4,6]C[6,6]H)(C[6]C[6]HH)(N[6]C[6]C)	N[6](C[4,6,6]C[3,4,6]C[4,6,6]C[6])(C[6]C[6]CH)(COO){4|C<4>,6|H<1>}	C[6](N[6]C[4,6,6]C)(C[6]C[3,6]HH)(CCHH)(H){1|O<2>,4|C<4>}	C[4,6,6](C[3,4,6]C[3,4,6]C[3,6]H)(C[4,6,6]C[3,4,6]C[6,6]H)(C[6]C[6]HH)(N[6]C[6]C){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	115.7510	0.000	1	115.7510	0.000	1	115.7510	0.000	1	117.6865	7.492	2	117.6865	7.492	2	117.5178	22.614	4
856	466	478	6:SP2_SP3_SP3	N[6]	C[6]	C[4,6,6]	4:4:3:	3:4:4:1:	4:4:4:3:	C[4,6,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:C-4:H-1:	C[4,6,6]-4:C[4,6]-4:C[6]-4:N[6]-3:	N[6](C[4,6,6]C[4,6,6]C[4,6]C[6])(C[6]C[6]CH)(COO)	C[6](N[6]C[4,6,6]C)(C[6]C[6]HH)(CCHH)(H)	C[4,6,6](C[4,6,6]C[4,6]C[6,6]H)(C[4,6]C[4,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)	N[6](C[4,6,6]C[4,6,6]C[4,6]C[6])(C[6]C[6]CH)(COO){1|C<3>,3|C<4>,6|H<1>}	C[6](N[6]C[4,6,6]C)(C[6]C[6]HH)(CCHH)(H){1|O<1>,3|C<4>}	C[4,6,6](C[4,6,6]C[4,6]C[6,6]H)(C[4,6]C[4,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	119.6220	0.000	1	119.6220	0.000	1	119.6220	0.000	1	117.6865	7.492	2	117.6865	7.492	2	117.5178	22.614	4
856	466	478	6:SP2_SP3_SP3	N[6]	C[6]	C[4,6]	4:4:1:	3:3:1:1:	4:3:3:1:	C[4,6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[4,6]-4:C[4]-3:N[6]-3:H-1:	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6]H)(H)2	C[4,6](C[4,6]C[6,6a]N[4]H)(C[4]N[4]O)(N[6]C[6]H)(H)	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[4,6](C[4,6]C[6,6a]N[4]H)(C[4]N[4]O)(N[6]C[6]H)(H){2|C<3>,3|H<1>}	111.8610	0.000	1	111.8610	0.000	1	111.8610	0.000	1	111.8610	0.000	1	117.3490	60.236	2	117.5178	22.614	4
856	466	478	6:SP2_SP3_SP3	N[6]	C[6]	C[4,6]	4:4:3:	4:3:1:1:	4:4:3:1:	C[4,6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[4,6,6]-4:C[4,6]-4:N[6]-3:H-1:	N[6](C[4,6]C[4,6,6]C[4,6]H)(C[6]C[6,6]HH)(COO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[4,6]C)(H)2	C[4,6](C[4,6,6]C[4,6,6]C[6,6]H)(C[4,6]C[4,6,6]C[6]H)(N[6]C[6]C)(H)	N[6](C[4,6]C[4,6,6]C[4,6]H)(C[6]C[6,6]HH)(COO){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[4,6]C)(H)2{3|C<4>,5|H<1>}	C[4,6](C[4,6,6]C[4,6,6]C[6,6]H)(C[4,6]C[4,6,6]C[6]H)(N[6]C[6]C)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	122.8370	0.000	1	122.8370	0.000	1	122.8370	0.000	1	122.8370	0.000	1	117.3490	60.236	2	117.5178	22.614	4
856	466	478	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[4,3x6]	4:4:4:	3:3:4:1:	4:4:3:1:	C[4,3x6]-4:C[3x6]-4:C-4:	N[6,6]-3:N[6]-3:C[5x6]-4:H-1:	C[4,3x6]-4:C[4,4x6]-4:N[6,6]-3:H-1:	N[6,6](C[4,3x6]C[4,3x6]C[4,4x6]H)(C[3x6]C[5x6]N[6]H)(CC[6a]HH)	C[3x6](N[6,6]C[4,3x6]C)(N[6]C[6,6]C[6a])(C[5x6]C[4x6]2N)(H)	C[4,3x6](C[4,3x6]C[4,6,6]C[4x6]H)(C[4,4x6]C[4,6,6]C[4x6]N)(N[6,6]C[3x6]C)(H)	N[6,6](C[4,3x6]C[4,3x6]C[4,4x6]H)(C[3x6]C[5x6]N[6]H)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>,3|C<4>}	C[3x6](N[6,6]C[4,3x6]C)(N[6]C[6,6]C[6a])(C[5x6]C[4x6]2N)(H){3|C<4>,3|H<1>,4|C<3>}	C[4,3x6](C[4,3x6]C[4,6,6]C[4x6]H)(C[4,4x6]C[4,6,6]C[4x6]N)(N[6,6]C[3x6]C)(H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	113.5265	0.006	2	113.5265	0.000	2	113.5265	0.000	2	113.5265	0.000	2	113.5265	0.000	2	113.7742	2.755	9
856	466	478	6:SP3_SP3_SP3	N[6,6]	C[6]	C[4,3x6]	4:4:4:	3:3:1:1:	4:4:3:4:	C[4,3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:N[6,6]-3:C[4]-4:	N[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[6]C[6]HH)2	C[6](N[6,6]C[4,3x6]C[6])(C[6]C[6]H)(H)2	C[4,3x6](C[4,6,6]C[4]C[6]2)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[4]C[4]HH)	N[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[6]C[6]HH)2{1|C<3>,4|C<4>,6|H<1>}	C[6](N[6,6]C[4,3x6]C[6])(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[4,3x6](C[4,6,6]C[4]C[6]2)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[4]C[4]HH){10|H<1>,1|O<2>,2|C<3>,3|C<4>}	113.9710	0.000	1	113.9710	0.000	1	113.9710	0.000	1	113.9710	0.000	1	111.8420	9.065	2	113.7742	2.755	9
856	466	478	6:SP3_SP3_SP3	N[6,6]	C[6]	C[4,3x6]	4:4:4:	3:4:1:1:	4:4:3:4:	C[4,3x6]-4:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:N[6,6]-3:C[4]-4:	N[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[6]C[6]HH)2	C[6](N[6,6]C[4,3x6]C[6])(C[6]C[6]HH)(H)2	C[4,3x6](C[4,6,6]C[4]C[6]2)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[4]C[4]HH)	N[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[6]C[6]HH)2{1|C<3>,4|C<4>,6|H<1>}	C[6](N[6,6]C[4,3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[4,3x6](C[4,6,6]C[4]C[6]2)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[4]C[4]HH){10|H<1>,1|O<2>,2|C<3>,3|C<4>}	109.7130	0.000	1	109.7130	0.000	1	109.7130	0.000	1	109.7130	0.000	1	111.8420	9.065	2	113.7742	2.755	9
856	466	478	6:SP3_SP3_SP3	N[6]	C[6]	C[4,6]	4:4:1:	4:3:3:1:	3:4:4:3:	C[4,6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6]-3:C[4]-4:C[4]-4:N[6]-3:	N[6](C[4,6]C[5a,6]C[4]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[4,6]H)(CNO)(H)	C[4,6](C[5a,6]C[5a,6]N[5a])(C[4]N[4]CH)(C[4]N[4]HH)(N[6]C[6]H)	N[6](C[4,6]C[5a,6]C[4]2)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[4,6]H)(CNO)(H){2|C<3>,2|C<4>}	C[4,6](C[5a,6]C[5a,6]N[5a])(C[4]N[4]CH)(C[4]N[4]HH)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	115.4090	0.000	1	115.4090	0.000	1	114.5010	0.388	4	114.5010	0.388	4	114.6462	0.397	5	113.7742	2.755	9
856	466	478	6:SP3_SP3_SP3	N[6]	C[6]	C[4,6]	4:4:1:	4:3:3:1:	3:4:4:3:	C[4,6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6]-3:C[4]-4:C[4]-4:N[6]-3:	N[6](C[4,6]C[5a,6]C[4]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[4,6]H)(COO)(H)	C[4,6](C[5a,6]C[5a,6]N[5a])(C[4]O[4]CH)(C[4]O[4]HH)(N[6]C[6]H)	N[6](C[4,6]C[5a,6]C[4]2)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[4,6]H)(COO)(H){2|C<3>,2|C<4>}	C[4,6](C[5a,6]C[5a,6]N[5a])(C[4]O[4]CH)(C[4]O[4]HH)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	114.1983	0.181	3	114.1983	0.033	3	114.5010	0.388	4	114.5010	0.388	4	114.6462	0.397	5	113.7742	2.755	9
856	466	478	6:SP3_SP3_SP3	N[6]	C[6]	C[4,6]	4:4:4:	4:3:1:1:	4:3:3:1:	C[4,6]-4:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[4]-3:N[6]-3:H-1:	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[4,6]S)(H)2	C[4,6](C[4,6]C[5,6]N[4]H)(C[4]N[4]O)(N[6]C[6]S)(H)	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[4,6]S)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[4,6](C[4,6]C[5,6]N[4]H)(C[4]N[4]O)(N[6]C[6]S)(H){1|C<4>,2|C<3>,2|H<1>}	115.2270	0.000	1	115.2270	0.000	1	115.2270	0.000	1	115.2270	0.000	1	114.6462	0.397	5	113.7742	2.755	9
856	466	486	0:SP2_SP3_SP3	N[6]	C[6,6]	C[3]	3:4:4:	3:3:3:3:	3:4:4:1:	C[6,6a]-3:C[6,6]-4:C[3]-4:	N[6]-3:C[6]-3:N[6]-3:N[6]-3:	N[6]-3:C[3]-4:C[3]-4:H-1:	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6]2)(C[3]C[3]2H)	C[6,6](N[6]C[6,6a]C[3])(C[6]C[6]O)(N[6]C[6]H)2	C[3](N[6]C[6,6a]C[6,6])(C[3]C[3]HH)2(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6]2)(C[3]C[3]2H){1|O<1>,5|C<3>,6|H<1>}	C[6,6](N[6]C[6,6a]C[3])(C[6]C[6]O)(N[6]C[6]H)2{1|H<1>,1|N<2>,2|C<3>,2|O<1>,3|C<4>}	C[3](N[6]C[6,6a]C[6,6])(C[3]C[3]HH)2(H){1|N<2>,2|C<3>,2|N<3>}	114.7130	0.000	1	114.7130	0.000	1	114.7130	0.000	1	114.7130	0.000	1	114.7130	0.000	1	114.8700	0.049	2
856	466	486	0:SP2_SP3_SP3	N[6]	C[6]	C[3]	4:4:3:	3:3:1:1:	4:4:3:1:	C[6]-4:C[3]-4:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[3]-4:C[3]-4:N[6]-3:H-1:	N[6](C[6]C[6,6a]HH)(C[3]C[3]2H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(H)2	C[3](C[3]C[3]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]HH)(C[3]C[3]2H)(C[6]N[6]C){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[3](C[3]C[3]HH)2(N[6]C[6]2)(H){1|N<3>,2|C<3>,2|H<1>}	115.0270	0.000	1	115.0270	0.000	1	115.0270	0.000	1	115.0270	0.000	1	115.0270	0.000	1	114.8700	0.049	2
856	466	486	0:SP3_SP3_SP3	N[6]	C[6]	C[3,6]	4:4:4:	3:4:1:1:	3:4:4:3:	C[3,6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:N[6]-3:	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(N[6]C[6]2)	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2{2|Cl<1>,1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(N[6]C[6]2){2|C<3>,3|C<4>,7|H<1>}	114.1430	2.025	2	114.1430	4.101	2	114.1598	3.129	4	114.1598	3.129	4	113.5104	2.047	8	112.4057	2.776	17
856	466	486	0:SP3_SP3_SP3	N[6]	C[6]	C[3,6]	4:4:4:	3:4:1:1:	3:4:4:3:	C[3,6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:N[6]-3:	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2)	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,2|F<1>,5|H<1>}	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2){2|C<3>,3|C<4>,7|H<1>}	114.1765	2.299	2	114.1765	5.285	2	114.1598	3.129	4	114.1598	3.129	4	113.5104	2.047	8	112.4057	2.776	17
856	466	486	0:SP3_SP3_SP3	N[6]	C[6]	C[3,6]	4:4:4:	3:4:1:1:	4:4:4:3:	C[3,6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:N[6]-3:	N[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)2	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(N[6]C[6]2)	N[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)2{2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(N[6]C[6]2){2|C<3>,2|C<4>,6|H<1>}	112.8610	0.723	4	112.8610	0.523	4	112.8610	0.523	4	112.8610	0.523	4	113.5104	2.047	8	112.4057	2.776	17
856	466	486	0:SP3_SP3_SP3	N[6]	C[6]	C[3]	4:4:4:	3:3:1:1:	4:4:3:1:	C[3]-4:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	C[3]-4:C[3]-4:N[6]-3:H-1:	N[6](C[3]C[3]2H)(C[6]N[6]HH)2	C[6](N[6]C[3]C[6])2(H)2	C[3](C[3]C[3]HH)2(N[6]C[6]2)(H)	N[6](C[3]C[3]2H)(C[6]N[6]HH)2{3|C<4>,4|H<1>}	C[6](N[6]C[3]C[6])2(H)2{1|N<3>,4|C<4>,6|H<1>}	C[3](C[3]C[3]HH)2(N[6]C[6]2)(H){2|N<3>,4|H<1>}	111.3622	1.669	5	111.3622	2.786	5	111.3622	2.786	5	111.3622	2.786	5	111.4238	1.455	9	112.4057	2.776	17
856	466	486	0:SP3_SP3_SP3	N[6]	C[6]	C[3]	4:4:4:	3:4:1:1:	4:4:3:1:	C[3]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[3]-4:C[3]-4:N[6]-3:H-1:	N[6](C[3]C[3]2H)(C[6]C[6]HH)2	C[6](N[6]C[3]C[6])(C[6]O[6]HH)(H)2	C[3](C[3]C[6a]2C[3])(C[3]C[3]CH)(N[6]C[6]2)(H)	N[6](C[3]C[3]2H)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[3]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]CH)(N[6]C[6]2)(H){2|C<4>,4|C<3>,4|H<1>}	111.5160	0.165	2	111.5160	0.027	2	111.5007	0.151	4	111.5007	0.151	4	111.4238	1.455	9	112.4057	2.776	17
856	466	486	0:SP3_SP3_SP3	N[6]	C[6]	C[3]	4:4:4:	3:4:1:1:	4:4:3:1:	C[3]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[3]-4:C[3]-4:N[6]-3:H-1:	N[6](C[3]C[3]2H)(C[6]C[6]HH)2	C[6](N[6]C[3]C[6])(C[6]O[6]HH)(H)2	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(N[6]C[6]2)(H)	N[6](C[3]C[3]2H)(C[6]C[6]HH)2{1|C<3>,1|O<2>,7|H<1>}	C[6](N[6]C[3]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(N[6]C[6]2)(H){2|C<3>,2|C<4>,4|H<1>}	111.4855	0.653	2	111.4855	0.426	2	111.5007	0.151	4	111.5007	0.151	4	111.4238	1.455	9	112.4057	2.776	17
856	466	486	6:SP2_SP3_SP3	N[6]	C[6]	C[3,4,6]	4:4:3:	4:3:1:1:	4:4:4:3:	C[3,4,6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[3,4,6]-4:C[4,6,6]-4:C[3,6]-4:N[6]-3:	N[6](C[3,4,6]C[3,4,6]C[4,6,6]C[3,6])(C[6]C[6,6]HH)(COO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[3,4,6]C)(H)2	C[3,4,6](C[3,4,6]C[4,6,6]C[3,6]H)(C[4,6,6]C[4,6,6]C[6,6]H)(C[3,6]C[3,4,6]C[6]O)(N[6]C[6]C)	N[6](C[3,4,6]C[3,4,6]C[4,6,6]C[3,6])(C[6]C[6,6]HH)(COO){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[3,4,6]C)(H)2{4|C<4>,4|H<1>}	C[3,4,6](C[3,4,6]C[4,6,6]C[3,6]H)(C[4,6,6]C[4,6,6]C[6,6]H)(C[3,6]C[3,4,6]C[6]O)(N[6]C[6]C){1|N<3>,3|C<4>,6|H<1>}	112.9810	0.000	1	112.9810	0.000	1	112.9810	0.000	1	112.9810	0.000	1	112.9810	0.000	1	114.7275	6.101	2
856	466	486	6:SP2_SP3_SP3	N[6]	C[6]	C[3,6]	4:3:4:	3:2:4:3:	4:3:4:1:	C[3,6]-4:C[6a]-3:C[6]-4:	N[6]-3:N[6]-2:C-4:C-3:	C[3,6]-4:N[6]-3:C[3]-4:H-1:	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC)	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO)	C[3,6](C[3,6]C[3]C[6]H)(N[6]C[6a]C[6])(C[3]C[3,6]CC)(H)	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO){1|H<1>,2|C<4>,3|C<3>}	C[3,6](C[3,6]C[3]C[6]H)(N[6]C[6a]C[6])(C[3]C[3,6]CC)(H){1|C<4>,1|N<2>,4|C<3>}	116.4740	0.000	1	116.4740	0.000	1	116.4740	0.000	1	116.4740	0.000	1	116.4740	0.000	1	114.7275	6.101	2
856	466	486	6:SP3_SP3_SP3	N[6]	C[6]	C[3,6]	4:3:4:	3:2:4:3:	4:3:4:1:	C[3,6]-4:C[6a]-3:C[6]-4:	N[6]-3:N[6]-2:C-4:C-3:	C[3,6]-4:N[6]-3:C[3]-4:H-1:	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC)	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO)	C[3,6](C[3,6]C[3]C[6]H)(N[6]C[6a]C[6])(C[3]C[3,6]CC)(H)	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO){1|H<1>,2|C<4>,3|C<3>}	C[3,6](C[3,6]C[3]C[6]H)(N[6]C[6a]C[6])(C[3]C[3,6]CC)(H){1|C<4>,1|N<2>,4|C<3>}	116.5960	0.000	1	116.5960	0.000	1	116.5960	0.000	1	116.5960	0.000	1	116.5960	0.000	1	116.5960	0.000	1
856	466	490	0:SP2_SP3_SP3	N[6,6]	C[3x6]	C	3:4:4:	3:4:3:4:	3:2:1:1:	C[6,6]-3:C[3x6]-4:C-4:	C[6,6]-3:C[6,6]-4:N[6,6]-3:C-4:	N[6,6]-3:O-2:H-1:H-1:	N[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(CHHO)	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(CC[5a]HH)	C(N[6,6]C[3x6]C[6,6])(OC)(H)2	N[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(CHHO){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(CC[5a]HH){1|O<1>,2|C<4>,2|H<1>}	C(N[6,6]C[3x6]C[6,6])(OC)(H)2	122.4890	0.000	1	122.4890	0.000	1	122.4890	0.000	1	122.4890	0.000	1	121.1327	1.588	21	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6,6]	C[3x6]	C	3:4:4:	4:4:3:1:	3:4:4:4:	N[6,6]-3:C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C-4:C-4:C-4:	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3)	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]N[6,6]C)(H)	C(N[6,6]C[3x6]N[6,6])(CH3)3	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3){2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]N[6,6]C)(H){1|C<3>,1|C<4>,4|H<1>}	C(N[6,6]C[3x6]N[6,6])(CH3)3	120.9963	1.229	3	120.9963	1.510	3	120.9963	1.510	3	120.9963	1.510	3	121.1327	1.588	21	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6,6]	C[3x6]	C	4:3:4:	2:3:3:4:	3:1:1:1:	C[3x6]-4:C[6,6]-3:C-4:	S[6,6]-2:C[6,6]-3:N[6,6]-3:C-4:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(CH3)	C[3x6](S[6,6]C[5,6,6])(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(CH3)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[3x6](S[6,6]C[5,6,6])(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(N[6,6]C[3x6]C[6,6])(H)3	121.5260	0.000	1	121.5260	0.000	1	121.5260	0.000	1	121.5260	0.000	1	121.1327	1.588	21	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6,6]	C[3x6]	C	4:3:4:	3:3:2:4:	3:1:1:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CCCH)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[3x6](C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CCCH){1|C<4>,1|H<1>,1|O<1>}	C(N[6,6]C[3x6]C[6,6])(H)3	120.2340	0.000	1	120.2340	0.000	1	121.2631	1.617	8	121.2631	1.617	8	121.1327	1.588	21	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6,6]	C[3x6]	C	4:3:4:	3:3:2:4:	3:1:1:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3)	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CC[6a]HO)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CC[6a]HO){1|O<1>,2|C<4>}	C(N[6,6]C[3x6]C[6,6])(H)3	122.9360	0.000	1	122.9360	0.000	1	121.2631	1.617	8	121.2631	1.617	8	121.1327	1.588	21	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6,6]	C[3x6]	C	4:3:4:	3:3:2:4:	3:1:1:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3)	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CH3)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CH3){1|O<1>,2|C<4>}	C(N[6,6]C[3x6]C[6,6])(H)3	120.6830	0.413	5	120.6830	0.171	5	121.2631	1.617	8	121.2631	1.617	8	121.1327	1.588	21	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6,6]	C[3x6]	C	4:3:4:	3:3:2:4:	3:1:1:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3)	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CHHO)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CHHO){1|C<3>,1|C<4>,1|O<1>}	C(N[6,6]C[3x6]C[6,6])(H)3	123.5200	0.000	1	123.5200	0.000	1	121.2631	1.617	8	121.2631	1.617	8	121.1327	1.588	21	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6,6]	C[3x6]	C	4:3:4:	3:3:3:3:	3:1:1:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,1|N<2>,2|O<1>,3|C<3>,3|H<1>}	C(N[6,6]C[3x6]C[6,6])(H)3	122.9190	0.000	1	122.7240	0.076	2	122.7240	0.076	2	122.7240	0.076	2	121.1327	1.588	21	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6,6]	C[3x6]	C	4:3:4:	3:3:3:3:	3:1:1:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C(N[6,6]C[3x6]C[6,6])(H)3	122.5290	0.000	1	122.7240	0.076	2	122.7240	0.076	2	122.7240	0.076	2	121.1327	1.588	21	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6,6]	C[3x6]	C	4:3:4:	3:4:3:1:	3:3:1:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6a]-3:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	C[3x6](C[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[3x6](C[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	119.9640	0.000	1	119.9640	0.000	1	119.9640	0.000	1	119.9640	0.000	1	121.1327	1.588	21	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6,6]	C[3x6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6a]-3:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	120.3760	0.000	1	120.2510	0.031	2	120.2667	0.016	3	120.2667	0.016	3	121.1327	1.588	21	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6,6]	C[3x6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6a]-3:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	120.1260	0.000	1	120.2510	0.031	2	120.2667	0.016	3	120.2667	0.016	3	121.1327	1.588	21	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6,6]	C[3x6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6a]-3:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H){1|O<1>,2|H<1>,4|C<4>}	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	120.2980	0.000	1	120.2980	0.000	1	120.2667	0.016	3	120.2667	0.016	3	121.1327	1.588	21	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6,6]	C[3x6]	C	4:3:4:	4:3:3:1:	3:4:1:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[3x6]-3:N[6,6]-3:H-1:	N[6,6]-3:C-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCHH)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[3x6]C[3x6]C[6])(N[6,6]C[6,6]C)(H)	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCHH){1|H<1>,2|C<4>,3|C<3>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[3x6]C[3x6]C[6])(N[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	118.6800	0.000	1	118.6800	0.000	1	118.6800	0.000	1	118.6800	0.000	1	121.1327	1.588	21	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6,6]	C[3x6]	C	4:3:4:	4:3:3:2:	3:3:1:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:O-2:	N[6,6]-3:C[6a]-3:H-1:H-1:	N[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(CC[6a]HH)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(OH)	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(OH){1|O<1>,2|C<4>,2|H<1>}	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	121.7860	0.000	1	121.7860	0.000	1	121.7860	0.000	1	121.7860	0.000	1	121.1327	1.588	21	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6,6]-4:P[3x6]-4:C-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[6,6]C[3x6]HH)(P[3x6]N[6,6]2N)(CH3)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]P[3x6]C)(H)2	C(N[6,6]C[6,6]P[3x6])(H)3	N[6,6](C[6,6]C[3x6]HH)(P[3x6]N[6,6]2N)(CH3){5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[6,6]P[3x6]C)(H)2{1|N<2>,2|N<3>,4|H<1>}	C(N[6,6]C[6,6]P[3x6])(H)3	117.3725	1.023	2	117.3725	1.047	2	117.3725	1.047	2	117.3725	1.047	2	117.3725	1.047	2	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[3x6]	C	4:3:4:	4:2:4:3:	3:3:1:1:	C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:O[6]-2:C[6]-4:N[6]-3:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]O)(CC[6a]HH)	C[3x6](C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]C)	C(N[6]C[3x6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|P<4>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C(N[6]C[3x6]C[6])(C[6a]C[6a]2)(H)2	117.0040	0.000	1	117.0040	0.000	1	117.0040	0.000	1	117.0040	0.000	1	116.8870	1.302	3	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[3x6]	C	4:3:4:	4:3:3:1:	3:4:1:1:	C[3x6]-4:C[6]-3:C-4:	C[5x6]-4:C[6,6]-3:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[3x6]C[5x6]C[6,6]H)(C[6]C[6,6]O)(CCHH)	C[3x6](C[5x6]C[5,6,6]C[4x6]C[6])(C[6,6]C[3x6]C)(N[6]C[6]C)(H)	C(N[6]C[3x6]C[6])(CH3)(H)2	N[6](C[3x6]C[5x6]C[6,6]H)(C[6]C[6,6]O)(CCHH){1|C<3>,6|C<4>}	C[3x6](C[5x6]C[5,6,6]C[4x6]C[6])(C[6,6]C[3x6]C)(N[6]C[6]C)(H){1|O<1>,2|O<2>,3|H<1>,5|C<4>}	C(N[6]C[3x6]C[6])(CH3)(H)2	115.6920	0.000	1	115.6920	0.000	1	115.6920	0.000	1	115.6920	0.000	1	116.8870	1.302	3	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[3x6]	C	4:3:4:	4:4:4:3:	3:3:1:1:	C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	N[6]-3:C-3:H-1:H-1:	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(CCHH)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2(N[6]C[6]C)	C(N[6]C[3x6]C[6])(CCH)(H)2	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(CCHH){1|C<3>,3|C<4>,7|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2(N[6]C[6]C){2|O<1>,4|C<4>,4|H<1>}	C(N[6]C[3x6]C[6])(CCH)(H)2	117.9650	0.000	1	117.9650	0.000	1	117.9650	0.000	1	117.9650	0.000	1	116.8870	1.302	3	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	3:4:4:	3:3:2:1:	3:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-3:N[6]-3:O[6]-2:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]C)(O[6]C[6,6a])(H)	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]C)(O[6]C[6,6a])(H){2|C<4>,4|C<3>}	C(N[6]C[6,6a]C[6,6])(H)3	116.3530	0.000	1	116.3530	0.000	1	116.3530	0.000	1	115.4663	1.324	3	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	3:4:4:	3:3:2:1:	3:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:	N[6]-3:N[6,6]-3:O[6]-2:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(CH3)	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H)	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6,6])(H)3	115.0230	1.212	2	115.0230	1.469	2	115.0230	1.469	2	115.4663	1.324	3	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	3:4:4:	3:3:4:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C-4:	N[6]-3:N[6,6]-3:C[6]-4:H-1:	N[6]-3:N[5]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(CN[5]HH)	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C(N[6]C[6,6a]C[6,6])(N[5]C[5]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(CN[5]HH){2|C<4>,3|C<3>,3|H<1>}	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(N[6]C[6,6a]C[6,6])(N[5]C[5]2)(H)2	116.3380	0.000	1	116.3380	0.000	1	116.3380	0.000	1	116.3380	0.000	1	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	3:4:4:	3:4:3:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C-4:	N[6]-3:C[6,6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CC[6a]HH)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(H)	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(H){1|C<4>,1|H<1>,5|C<3>}	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	118.5790	0.000	1	118.5790	0.000	1	118.5790	0.000	1	118.5790	0.000	1	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	3:4:4:	4:3:4:1:	3:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6,6])(H)3	117.6810	0.000	1	117.6810	0.000	1	120.6140	3.394	6	120.6140	3.394	6	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	3:4:4:	4:3:4:1:	3:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C(N[6]C[6,6a]C[6,6])(H)3	121.2006	1.289	5	121.2006	1.662	5	120.6140	3.394	6	120.6140	3.394	6	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	3:4:4:	4:3:4:1:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]HH)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]HH){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	116.0580	0.000	1	116.0580	0.000	1	116.0580	0.000	1	116.0580	0.000	1	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	3:4:4:	4:4:3:4:	3:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6]-4:C[6,6]-4:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(N[6]C[6,6a]C)(CH3)	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3){3|H<1>,6|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(N[6]C[6,6a]C)(CH3){2|O<1>,6|C<3>}	C(N[6]C[6,6a]C[6,6])(H)3	118.7800	0.000	2	118.7800	0.000	2	118.7800	0.000	2	118.7800	0.000	2	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	3:2:3:1:	3:1:1:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-3:O[6]-2:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N)(CH3)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N)(CH3){1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(N[6]C[6,6]C[6])(H)3	112.4650	0.000	2	112.4650	0.000	2	112.4650	0.000	2	112.4650	0.000	2	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	3:3:3:1:	3:1:1:1:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]C)(H)	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]C)(H){1|N<3>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6,6])(H)3	118.9575	0.187	2	118.9575	0.035	2	118.9575	0.035	2	118.9575	0.035	2	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	3:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	117.7595	0.448	2	117.7595	0.200	2	117.7595	0.200	2	118.1780	0.626	3	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	3:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-3:C-4:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CC[6a]HH)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>,2|N<3>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	119.0150	0.000	1	119.0150	0.000	1	119.0150	0.000	1	118.1780	0.626	3	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	3:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C-4:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CCHH)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]N)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(CCHH)(H)2	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	C(N[6]C[6,6]C[6])(CCHH)(H)2	120.7410	0.134	2	120.7410	0.018	2	120.7410	0.018	2	120.7410	0.018	2	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	3:3:3:2:	3:1:1:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:O-2:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6a]N[6,6]O)(C[6]C[6,6a]O)(CH3)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(OO)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6a]N[6,6]O)(C[6]C[6,6a]O)(CH3){5|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(OO){1|H<1>,2|O<1>,5|C<3>}	C(N[6]C[6,6]C[6])(H)3	120.5970	0.000	1	120.5970	0.000	1	120.5970	0.000	1	120.5970	0.000	1	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C-4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(CH3)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C(N[6]C[6,6]C[6])(CH3)(H)2	118.5840	0.000	1	118.5840	0.000	1	118.8688	0.332	4	118.2656	2.068	5	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C-4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(CHHO)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C(N[6]C[6,6]C[6])(CHHO)(H)2	118.8840	0.000	1	118.6125	0.147	2	118.8688	0.332	4	118.2656	2.068	5	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C-4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(CHHO)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C(N[6]C[6,6]C[6])(CHHO)(H)2	118.3410	0.000	1	118.6125	0.147	2	118.8688	0.332	4	118.2656	2.068	5	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C-4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(CHOO)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C(N[6]C[6,6]C[6])(CHOO)(H)2	119.6660	0.000	1	119.6660	0.000	1	118.8688	0.332	4	118.2656	2.068	5	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C(N[6]C[6,6]C[6])(CCHH)(H)2	115.8530	0.000	1	115.8530	0.000	1	115.8530	0.000	1	118.2656	2.068	5	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	4:2:3:4:	3:4:1:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(CCHH)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]C)(CH3)	C(N[6]C[6,6]C[6])(CCHH)(H)2	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]C)(CH3){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C(N[6]C[6,6]C[6])(CCHH)(H)2	117.9430	0.000	1	117.9430	0.000	1	117.9430	0.000	1	117.9430	0.000	1	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:N[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]C[5,6,6]N[6]H)(C[6]N[6]O)(CN[6]HH)	C[6,6](C[5,6,6]C[6,6]C[5]2)(N[6]C[6]C)2(H)	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]C[5,6,6]N[6]H)(C[6]N[6]O)(CN[6]HH){1|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(N[6]C[6]C)2(H){2|C<4>,2|N<3>,2|O<2>,5|H<1>}	C(N[6]C[6,6]C[6])2(H)2	118.5636	0.818	20	118.5636	0.670	20	118.5636	0.670	20	118.6328	0.667	58	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	N[5]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[5]HH)	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6]C)2(H)	C(N[5]C[5,5]C[5])(N[6]C[6,6]C[6])(H)2	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[5]HH){1|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6]C)2(H){1|H<1>,2|N<3>,2|O<1>}	C(N[5]C[5,5]C[5])(N[6]C[6,6]C[6])(H)2	119.0509	0.457	8	119.0509	0.209	8	119.0509	0.209	8	118.6328	0.667	58	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6]C)2(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6]C)2(H){1|H<1>,2|N<3>,2|O<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	115.8400	0.000	1	115.8400	0.000	1	115.8400	0.000	1	118.6328	0.667	58	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH)	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6]C)2(H)	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH){1|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6]C)2(H){1|H<1>,2|N<3>,2|O<1>}	C(N[6]C[6,6]C[6])2(H)2	118.6311	0.719	27	118.6311	0.517	27	118.6614	0.518	29	118.6328	0.667	58	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6]C)2(H)	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6]C)2(H){1|H<1>,2|N<3>,2|O<1>}	C(N[6]C[6,6]C[6])2(H)2	119.0700	0.823	2	119.0700	0.677	2	118.6614	0.518	29	118.6328	0.667	58	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	4:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH){1|N<3>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H){1|O<1>,3|C<3>,4|H<1>}	C(N[6]C[6,6]C[6])(CCHH)(H)2	118.7010	0.000	1	118.7010	0.000	1	118.7010	0.000	1	118.7010	0.000	1	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	4:3:3:2:	3:1:1:1:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3){1|H<1>,3|C<4>,5|C<3>}	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){1|N<3>,2|H<1>,6|C<3>}	C(N[6]C[6,6a]C[6,6])(H)3	118.0450	0.000	1	118.0450	0.000	1	117.5800	0.432	2	117.5800	0.432	2	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	4:3:3:2:	3:1:1:1:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	C(N[6]C[6,6a]C[6,6])(H)3	117.1150	0.000	1	117.1150	0.000	1	117.5800	0.432	2	117.5800	0.432	2	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	4:3:3:2:	3:3:1:1:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HH)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HH){1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	118.0850	0.000	1	118.0850	0.000	1	118.0850	0.000	1	118.0850	0.000	1	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[6,6]-4:C[6,6a]-3:C-4:	C[5,6,6]-4:N[6]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]HH)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	114.7080	0.000	1	114.7080	0.000	1	114.7080	0.000	1	114.7080	0.000	1	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[5,6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	122.4020	0.000	1	122.4020	0.000	1	122.4020	0.000	1	122.4020	0.000	1	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(CC[6a]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6,6]C[6])(CC[6a]HH)(H)2	118.2870	0.000	1	118.2870	0.000	1	118.8048	0.372	5	118.8048	0.372	5	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C(N[6]C[6,6]C[6])(CCHH)(H)2	118.9342	0.620	4	118.9342	0.385	4	118.8048	0.372	5	118.8048	0.372	5	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	4:4:3:3:	3:3:1:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:N[6]-3:C-3:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(COO)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(COO){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	121.8720	0.000	1	121.8720	0.000	1	121.8720	0.000	1	121.8720	0.000	1	118.5300	2.699	100	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:2:1:1:	3:3:1:1:	C[5a,6]-3:C[6]-4:C-4:	N[6]-3:O[6]-2:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH)	C[6](N[6]C[5a,6]C)(O[6]C[6])(H)2	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH){1|C<4>,1|N<2>,2|C<3>}	C[6](N[6]C[5a,6]C)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>}	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	113.0750	0.584	4	113.0750	0.341	4	113.0750	0.341	4	113.0750	0.341	4	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:2:1:1:	3:4:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	C[6](N[6]C[6,6a]C)(N[6]S[6])(H)2	C(N[6]C[6,6a]C[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH){1|H<1>,1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(N[6]S[6])(H)2{2|C<3>,2|O<1>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	115.7200	0.000	1	115.7200	0.000	1	115.7200	0.000	1	115.7200	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:1:1:1:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CH3)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CH3){1|C<3>,3|C<4>}	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>}	C(N[6]C[6,6]C[6])(H)3	120.8090	0.000	1	120.8090	0.000	1	120.8090	0.000	1	117.0063	5.025	9	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	112.2970	0.000	1	112.2970	0.000	1	112.2970	0.000	1	117.0063	5.025	9	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C(N[6]C[6]2)(H)3	116.4640	0.000	1	116.4640	0.000	1	116.7108	0.070	5	117.0063	5.025	9	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C(N[6]C[6]2)(H)3	116.8373	0.276	3	116.8373	0.076	3	116.7108	0.070	5	117.0063	5.025	9	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){3|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C(N[6]C[6]2)(H)3	116.5780	0.000	1	116.5780	0.000	1	116.7108	0.070	5	117.0063	5.025	9	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]O)(C[6]N[6]HH)(CH3)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]O)(C[6]N[6]HH)(CH3){1|C<3>,2|C<4>}	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>}	C(N[6]C[6]2)(H)3	118.1985	0.008	2	118.1985	0.000	2	118.1985	0.000	2	117.0063	5.025	9	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(H)2	C(N[6]C[6,6a]C[6])(COO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(H)2{2|C<3>}	C(N[6]C[6,6a]C[6])(COO)(H)2	114.9010	0.000	1	114.9010	0.000	1	114.9010	0.000	1	115.6786	1.732	12	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(N[6]C[6]C)(H)2	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[6a]HH){2|C<3>,2|C<4>}	C[6](N[6]C[6,6a]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	115.0860	0.000	1	115.0860	0.000	1	115.0860	0.000	1	115.6786	1.732	12	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:P-3:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C[6](N[6]C[6,6a]C)2(H)2	C(N[6]C[6,6a]C[6])(PC[6a]2)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)2(H)2{3|C<3>}	C(N[6]C[6,6a]C[6])(PC[6a]2)(H)2	114.8945	2.959	2	114.8945	8.757	2	114.8945	8.757	2	115.6786	1.732	12	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.9200	0.768	3	116.9200	0.590	3	116.0459	1.004	8	115.6786	1.732	12	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|O<1>,2|N<3>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.1170	0.000	1	115.1170	0.000	1	116.0459	1.004	8	115.6786	1.732	12	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	114.9705	0.456	2	114.9705	0.208	2	116.0459	1.004	8	115.6786	1.732	12	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.2745	0.255	2	116.2745	0.065	2	116.0459	1.004	8	115.6786	1.732	12	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:4:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	C[6](N[6]C[6,6a]C)(N[6]S[6]H)(H)2	C(N[6]C[6,6a]C[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	C[6](N[6]C[6,6a]C)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	117.4630	0.048	2	117.4630	0.002	2	117.4630	0.002	2	117.0304	1.920	7	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:4:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:P-4:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C[6](N[6]C[6,6a]C)2(H)2	C(N[6]C[6,6a]C[6])(PC[6a]2Ir)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)2(H)2{3|C<3>}	C(N[6]C[6,6a]C[6])(PC[6a]2Ir)(H)2	116.5797	1.852	3	116.5797	3.431	3	117.0865	3.315	4	117.0304	1.920	7	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:4:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:P-4:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C[6](N[6]C[6,6a]C)2(H)2	C(N[6]C[6,6a]C[6])(PC[6a]2Rh)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)2(H)2{3|C<3>}	C(N[6]C[6,6a]C[6])(PC[6a]2Rh)(H)2	118.6070	0.000	1	118.6070	0.000	1	117.0865	3.315	4	117.0304	1.920	7	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:4:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C(N[6]C[6]2)(CCHH)(H)2	115.9410	0.000	1	115.9410	0.000	1	115.9410	0.000	1	117.0304	1.920	7	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:2:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:O-2:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OC)(H)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OC)(H){1|C<4>,1|N<2>,2|C<3>}	C(N[6]C[6,6a]C[6])(H)3	119.5770	0.220	3	119.5770	0.048	3	119.1765	0.674	4	117.5341	5.974	7	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:2:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:O-2:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OH)(H)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OH)(H){1|C<4>,1|N<2>,2|C<3>}	C(N[6]C[6,6a]C[6])(H)3	117.9750	0.000	1	117.9750	0.000	1	119.1765	0.674	4	117.5341	5.974	7	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:2:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:O-2:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(CH3)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(OC)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(OC)(H){1|O<1>,2|C<4>}	C(N[6]C[6]2)(H)3	115.8820	0.000	1	115.8820	0.000	1	114.4655	4.013	2	117.5341	5.974	7	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:2:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:O-2:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]HO)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(OH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]N[6])(C[6]C[6]HO)(CH3){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	C(N[6]C[6]2)(H)3	113.0490	0.000	1	113.0490	0.000	1	114.4655	4.013	2	117.5341	5.974	7	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:2:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:S-2:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HS)(CH3)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(SC)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]HS)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(SC)(H){1|O<1>,2|C<4>}	C(N[6]C[6]2)(H)3	117.1020	0.000	1	117.1020	0.000	1	117.1020	0.000	1	117.5341	5.974	7	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:3:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CH3)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)(H)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CH3){1|H<1>,1|O<1>,5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	117.3700	0.000	1	117.3700	0.000	1	117.3700	0.000	1	118.3735	2.014	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:3:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3)	C[6](N[6]C[6,6a]S)(N[6]C[6]C)(CC[6a]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(N[6]C[6]C)(CC[6a]C)(H){1|O<1>,2|C<3>}	C(N[6]C[6]2)(H)3	119.3770	0.000	1	119.3770	0.000	1	119.3770	0.000	1	118.3735	2.014	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:3:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[5a]-3:N[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]C)(C[6]N[6]O)(H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]C)(C[6]N[6]O)(H){1|N<3>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	116.0070	0.000	1	116.0070	0.000	1	116.0070	0.000	1	117.2801	5.299	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:3:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	114.4750	0.000	1	114.4750	0.000	1	118.3363	11.567	3	117.2801	5.299	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:3:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]C)(H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|H<1>,1|O<2>,5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]C)(H){2|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	120.2670	0.877	2	120.2670	0.769	2	118.3363	11.567	3	117.2801	5.299	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:3:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CC[6a]HH)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]C)(CCH)(H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CC[6a]HH){1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]C)(CCH)(H){1|O<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	114.1550	0.000	1	114.1550	0.000	1	114.1550	0.000	1	117.2801	5.299	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:3:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	N[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH)	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H)	C(N[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH){1|C<4>,1|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C(N[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	120.0820	0.000	1	120.0820	0.000	1	120.0820	0.000	1	117.2801	5.299	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:3:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	N[6]-3:N[5]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5]HH)	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H)	C(N[6]C[6,6a]C[6])(N[5]C[5]N[5])(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5]HH){1|C<4>,1|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C(N[6]C[6,6a]C[6])(N[5]C[5]N[5])(H)2	120.2865	0.955	2	120.2865	0.913	2	120.2865	0.913	2	117.2801	5.299	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:3:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.7225	0.148	2	115.7225	0.022	2	115.7225	0.022	2	117.2801	5.299	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:3:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C-3:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[5a]HH)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[5a]HH){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>}	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(H)2	116.4930	0.000	1	116.4930	0.000	1	116.4930	0.000	1	117.2801	5.299	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:3:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.3850	0.000	1	116.3850	0.000	1	116.3593	0.198	4	117.2801	5.299	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:3:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCH)(H){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.3507	0.544	3	116.3507	0.296	3	116.3593	0.198	4	117.2801	5.299	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:3:1:	3:4:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(CCHH)	C[6](C[5a,6]C[5a,6a]N[5a,6])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C(N[6]C[6,6a]C[6])(CCCH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(CCHH){1|H<1>,1|N<3>,5|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,6|C<3>}	C(N[6]C[6,6a]C[6])(CCCH)(H)2	117.5010	0.000	1	117.5010	0.000	1	117.5010	0.000	1	117.6450	0.041	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:3:1:	3:4:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH){2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	117.7890	0.000	1	117.7890	0.000	1	117.7890	0.000	1	117.6450	0.041	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:3:1:	3:4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-3:H-1:	N[6]-3:C-4:C-3:H-1:	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCCH)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CHH)(H)	C(N[6]C[6]2)(CCHH)(COO)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CHH)(H){1|O<1>,2|C<4>}	C(N[6]C[6]2)(CCHH)(COO)(H)	118.1290	0.000	1	118.1290	0.000	1	118.1290	0.000	1	118.1290	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H){1|O<2>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	112.2880	0.000	1	112.2880	0.000	1	112.3175	0.002	2	116.4077	1.854	33	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CC[6]HH)(H)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CC[6]HH)(H){1|O<2>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	112.3470	0.000	1	112.3470	0.000	1	112.3175	0.002	2	116.4077	1.854	33	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]CC)(H)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]CC)(H){3|H<1>,5|C<3>}	C(N[6]C[6,6a]C[6])(H)3	114.5930	0.000	1	114.5930	0.000	1	114.5930	0.000	1	116.4077	1.854	33	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CN)(H){4|C<3>,4|H<1>}	C(N[6]C[6,6a]C[6])(H)3	114.0860	0.000	1	114.0860	0.000	1	114.0860	0.000	1	116.4077	1.854	33	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CH3)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(CCCF)(H)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CH3){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(CCCF)(H){1|O<1>,2|C<3>}	C(N[6]C[6,6a]C[6])(H)3	117.7520	0.000	1	117.7520	0.000	1	117.7520	0.000	1	116.4077	1.854	33	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(N[6]C[6]2)(H)3	116.3080	0.000	1	116.3080	0.000	1	116.7995	0.410	28	116.4077	1.854	33	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[4]HH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[4]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(N[6]C[6]2)(H)3	116.6940	0.000	1	116.6940	0.000	1	116.7995	0.410	28	116.4077	1.854	33	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C(N[6]C[6]2)(H)3	116.5780	0.000	1	116.5780	0.000	1	116.7995	0.410	28	116.4077	1.854	33	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(N[6]C[6]2)(H)3	116.9190	0.381	8	116.8759	0.179	10	116.7995	0.410	28	116.4077	1.854	33	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(N[6]C[6]2)(H)3	116.7035	0.718	2	116.8759	0.179	10	116.7995	0.410	28	116.4077	1.854	33	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CHHO)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CHHO)(H){1|O<1>,2|C<4>}	C(N[6]C[6]2)(H)3	118.8370	0.000	1	118.8370	0.000	1	116.7995	0.410	28	116.4077	1.854	33	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(N[6]C[6]2)(H)3	116.9171	0.339	10	116.6351	0.381	13	116.7995	0.410	28	116.4077	1.854	33	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(N[6]C[6]2)(H)3	115.6950	0.208	3	116.6351	0.381	13	116.7995	0.410	28	116.4077	1.854	33	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HS)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HS)(H){1|C<4>,1|O<1>,1|O<2>}	C(N[6]C[6]2)(H)3	116.9550	0.000	1	116.9550	0.000	1	116.7995	0.410	28	116.4077	1.854	33	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:3:1:1:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CSiCH)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CSiCH)(H){1|C<3>,1|C<4>,1|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	115.0790	0.013	2	115.0790	0.000	2	115.0790	0.000	2	116.4713	5.401	14	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,6|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H){4|C<3>,4|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	115.8253	0.753	3	115.8253	0.567	3	115.9926	5.630	9	116.4713	5.401	14	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	115.7380	0.000	1	115.7380	0.000	1	115.9926	5.630	9	116.4713	5.401	14	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	115.1720	1.496	2	115.1720	2.239	2	115.9926	5.630	9	116.4713	5.401	14	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){2|H<1>,2|O<2>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HO)(H){2|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	119.2895	0.906	2	119.2895	0.820	2	115.9926	5.630	9	116.4713	5.401	14	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	111.7960	0.000	1	111.7960	0.000	1	115.9926	5.630	9	116.4713	5.401	14	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|O<1>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	120.1160	0.000	1	120.1160	0.000	1	118.8357	1.230	3	116.4713	5.401	14	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	118.2220	0.000	1	118.1955	0.001	2	118.8357	1.230	3	116.4713	5.401	14	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	118.1690	0.000	1	118.1955	0.001	2	118.8357	1.230	3	116.4713	5.401	14	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:4:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H)	C(N[6]C[6,6a]C[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H){1|H<1>,2|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	120.1530	0.000	1	120.1530	0.000	1	120.1530	0.000	1	120.1530	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C-4:C-3:H-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCCH)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(CCHH)(COO)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CH3)(H){1|O<1>,2|C<4>}	C(N[6]C[6]2)(CCHH)(COO)(H)	123.0565	0.887	2	123.0565	0.788	2	123.0565	0.788	2	123.0565	0.788	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:2:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:S-2:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(CC[6a]HH)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(SC[6a])	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(SC[6a]){1|O<1>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	117.1050	0.000	1	117.1050	0.000	1	117.1050	0.000	1	117.1050	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:4:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CH3)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(CH3)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CH3){1|C<4>,1|H<1>,6|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(CH3){4|C<3>,4|H<1>}	C(N[6]C[6,6a]C[6])(H)3	116.5150	0.000	1	116.5150	0.000	1	116.5150	0.000	1	117.0824	3.386	16	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:4:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	C[6](N[6]C[6,6a]C)2(CCHH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)2(CCHH)(CH3){3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	117.5959	2.459	8	117.5959	6.044	8	117.1203	3.603	15	117.0824	3.386	16	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:4:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	C[6](N[6]C[6,6a]C)2(CCHH)2	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)2(CCHH)2{3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	116.5767	0.842	7	116.5767	0.709	7	117.1203	3.603	15	117.0824	3.386	16	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:1:1:1:	C[4a,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[4a,6]C[4a,6]C[4a])(C[6]C[6]HH)(CH3)	C[6](N[6]C[4a,6]C)(C[6]N[6]HH)(H)2	C(N[6]C[4a,6]C[6])(H)3	N[6](C[4a,6]C[4a,6]C[4a])(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[4a,6]C)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C(N[6]C[4a,6]C[6])(H)3	120.0255	1.016	2	120.0255	1.032	2	120.0255	1.032	2	116.2472	8.610	13	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:1:1:1:	C[5,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CH3)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(N[6]C[5,6]C[6])(H)3	117.6650	0.000	1	117.6650	0.000	1	117.6650	0.000	1	116.2472	8.610	13	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:1:1:1:	C[5a,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)	C[6](N[6]C[5a,6]C)(C[6]N[6]HH)(H)2	C(N[6]C[5a,6]C[6])(H)3	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[6](N[6]C[5a,6]C)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C(N[6]C[5a,6]C[6])(H)3	113.9150	0.000	1	113.9150	0.000	1	113.9150	0.000	1	116.2472	8.610	13	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:1:1:1:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(CH3)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(N[6]C[6,6]C[6])(H)3	109.3400	0.000	1	109.3400	0.000	1	114.1605	15.360	4	116.2472	8.610	13	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:1:1:1:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3){1|B<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C(N[6]C[6,6]C[6])(H)3	114.7370	0.000	1	115.7673	7.548	3	114.1605	15.360	4	116.2472	8.610	13	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:1:1:1:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3){1|Cu<2>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C(N[6]C[6,6]C[6])(H)3	113.6840	0.000	1	115.7673	7.548	3	114.1605	15.360	4	116.2472	8.610	13	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:1:1:1:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3){3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C(N[6]C[6,6]C[6])(H)3	118.8810	0.000	1	115.7673	7.548	3	114.1605	15.360	4	116.2472	8.610	13	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(H)3	116.6813	0.299	3	116.8708	0.203	4	116.5882	0.551	5	116.2472	8.610	13	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	117.4390	0.000	1	116.8708	0.203	4	116.5882	0.551	5	116.2472	8.610	13	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C(N[6]C[6,6a]C[6])(H)3	115.4580	0.000	1	115.4580	0.000	1	116.5882	0.551	5	116.2472	8.610	13	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:2:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6,6]-4:H-1:H-1:	N[6]-3:O-2:H-1:H-1:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(CHHO)	C[6](N[6]C[6,6a]C)(C[6,6]C[6]3)(H)2	C(N[6]C[6,6a]C[6])(OC)(H)2	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(CHHO){1|C<4>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6,6]C[6]3)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|O<1>}	C(N[6]C[6,6a]C[6])(OC)(H)2	117.3890	0.000	1	117.3890	0.000	1	117.3890	0.000	1	117.3890	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:3:1:1:	C[5,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	117.4010	0.120	2	117.4010	0.014	2	117.3003	0.038	3	116.1619	3.117	29	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:3:1:1:	C[5,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH){1|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	117.0990	0.000	1	117.0990	0.000	1	117.3003	0.038	3	116.1619	3.117	29	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:3:1:1:	C[5a,6]-3:C[6]-4:C-4:	N[6]-3:C[6,6]-4:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CC[6a]HH)	C[6](N[6]C[5a,6]C)(C[6,6]C[6]3)(H)2	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CC[6a]HH){1|C<4>,1|N<2>,4|C<3>}	C[6](N[6]C[5a,6]C)(C[6,6]C[6]3)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	116.7500	0.000	1	116.7500	0.000	1	116.7500	0.000	1	116.1619	3.117	29	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:3:1:1:	C[5a,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	N[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	113.7120	0.000	1	113.7120	0.000	1	113.7120	0.000	1	116.1619	3.117	29	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH){1|O<1>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	113.0610	0.000	1	113.4360	0.281	2	113.6240	0.226	4	116.1619	3.117	29	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{3|C<3>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	113.8110	0.000	1	113.4360	0.281	2	113.6240	0.226	4	116.1619	3.117	29	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	113.4540	0.000	1	113.4540	0.000	1	113.6240	0.226	4	116.1619	3.117	29	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH){2|H<1>,4|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	114.1700	0.000	1	114.1700	0.000	1	113.6240	0.226	4	116.1619	3.117	29	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){1|Al<4>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C(N[6]C[6,6]C[6])2(H)2	115.6942	1.525	4	116.5552	2.573	19	116.5552	2.573	19	116.1619	3.117	29	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){1|Cu<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C(N[6]C[6,6]C[6])2(H)2	115.7155	0.265	2	116.5552	2.573	19	116.5552	2.573	19	116.1619	3.117	29	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){1|Fe<4>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C(N[6]C[6,6]C[6])2(H)2	116.3705	0.991	2	116.5552	2.573	19	116.5552	2.573	19	116.1619	3.117	29	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){1|Pd<4>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C(N[6]C[6,6]C[6])2(H)2	117.1953	1.809	4	116.5552	2.573	19	116.5552	2.573	19	116.1619	3.117	29	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){2|H<1>,4|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C(N[6]C[6,6]C[6])2(H)2	118.2370	1.340	3	116.5552	2.573	19	116.5552	2.573	19	116.1619	3.117	29	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C(N[6]C[6,6]C[6])2(H)2	116.0270	1.752	4	116.5552	2.573	19	116.5552	2.573	19	116.1619	3.117	29	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH){3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	117.2880	0.000	1	117.2880	0.000	1	117.2880	0.000	1	116.1619	3.117	29	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(CCHH)(H)2	114.8143	0.224	3	114.8143	0.050	3	114.8419	1.902	7	114.8419	1.902	7	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2	C(N[6]C[6,6a]C[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	116.4570	1.035	2	116.4570	1.072	2	114.8419	1.902	7	114.8419	1.902	7	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|O<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2{2|C<3>}	C(N[6]C[6,6a]C[6])(CCHH)(H)2	113.0870	0.000	1	113.0870	0.000	1	114.8419	1.902	7	114.8419	1.902	7	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(CCHH)(H)2	113.4490	0.000	1	113.4490	0.000	1	114.8419	1.902	7	114.8419	1.902	7	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:4:4:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6a]C[6])(CH3)2(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C(N[6]C[6,6a]C[6])(CH3)2(H)	115.5000	0.000	1	116.2320	1.072	2	116.2320	1.072	2	116.2320	1.072	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:4:4:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6a]C[6])(CH3)2(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(CH3)2(H)	116.9640	0.000	1	116.2320	1.072	2	116.2320	1.072	2	116.2320	1.072	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:4:4:4:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6a]C[6])(CH3)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(CH3)3	115.8110	0.000	1	115.8110	0.000	1	115.8110	0.000	1	115.8110	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:4:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCHH)(H)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(H)3	118.7400	0.000	1	118.7400	0.000	1	117.7965	1.780	2	117.7965	1.780	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:4:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CH)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(N[6]C[6,6a]C[6])(H)3	116.8530	0.000	1	116.8530	0.000	1	117.7965	1.780	2	117.7965	1.780	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:4:1:	3:3:4:1:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[6a]-3:C-4:H-1:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]CH)	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]HO)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]HO)(H)	116.7465	0.088	2	116.7465	0.008	2	116.7465	0.008	2	116.7465	0.008	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{2|H<1>,2|O<2>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	114.7110	0.000	1	114.7110	0.000	1	115.2207	3.960	3	116.1321	3.064	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6,6a]C)(H)2	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|H<1>,1|N<3>,4|C<3>}	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6,6a]C)(H)2{1|C<4>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	117.4160	0.000	1	117.4160	0.000	1	115.2207	3.960	3	116.1321	3.064	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)(H)2	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	113.5350	0.000	1	113.5350	0.000	1	115.2207	3.960	3	116.1321	3.064	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(H)2	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(H)2{2|C<2>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	116.4870	1.314	2	116.4870	1.726	2	116.4870	1.726	2	116.1321	3.064	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3)	C[6](N[6]C[6,6a]CC)(N[6]C[6,6a]C)(H)2	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3){1|H<1>,2|C<4>,3|C<3>}	C[6](N[6]C[6,6a]CC)(N[6]C[6,6a]C)(H)2{3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	120.6520	0.000	1	120.6520	0.000	1	120.6520	0.000	1	116.1321	3.064	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C(N[6]C[6]2)(H)3	117.3990	0.000	1	117.3990	0.000	1	115.9538	1.920	14	116.1321	3.064	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[3x6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]2)(H)3	116.2230	0.000	1	116.2230	0.000	1	115.9538	1.920	14	116.1321	3.064	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C(N[6]C[6]2)(H)3	117.9730	0.000	1	117.9730	0.000	1	115.9538	1.920	14	116.1321	3.064	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C(N[6]C[6]2)(H)3	117.4060	0.000	1	117.4060	0.000	1	115.9538	1.920	14	116.1321	3.064	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C(N[6]C[6]2)(H)3	117.4720	0.000	1	117.4720	0.000	1	115.9538	1.920	14	116.1321	3.064	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(H)3	114.4867	0.927	3	114.9068	0.391	8	115.9538	1.920	14	116.1321	3.064	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(H)3	115.1588	0.205	5	114.9068	0.391	8	115.9538	1.920	14	116.1321	3.064	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]C[6a]2)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	C[6](C[6]C[6,6]C[6a]2)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C(N[6]C[6]2)(H)3	117.6260	0.000	1	117.6260	0.000	1	115.9538	1.920	14	116.1321	3.064	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	114.6700	0.000	1	114.5943	0.077	3	115.1486	0.842	16	115.1486	0.842	16	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	114.8260	0.000	1	114.5943	0.077	3	115.1486	0.842	16	115.1486	0.842	16	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	114.2870	0.000	1	114.5943	0.077	3	115.1486	0.842	16	115.1486	0.842	16	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.2743	0.989	3	115.2743	0.977	3	115.1486	0.842	16	115.1486	0.842	16	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.2720	0.000	1	115.2720	0.000	1	115.1486	0.842	16	115.1486	0.842	16	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	114.2500	0.000	1	114.2500	0.000	1	115.1486	0.842	16	115.1486	0.842	16	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	113.4890	0.000	1	114.9220	1.965	4	115.1486	0.842	16	115.1486	0.842	16	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.3997	1.256	3	114.9220	1.965	4	115.1486	0.842	16	115.1486	0.842	16	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.2710	0.000	1	116.2710	0.000	1	115.1486	0.842	16	115.1486	0.842	16	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.6400	0.386	2	115.6400	0.149	2	115.1486	0.842	16	115.1486	0.842	16	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.0100	0.000	1	116.0100	0.000	1	115.1486	0.842	16	115.1486	0.842	16	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:3:4:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[3,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	118.1960	0.000	1	118.1960	0.000	1	118.7830	0.278	3	118.7830	0.278	3	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:3:4:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	119.0765	0.197	2	119.0765	0.039	2	118.7830	0.278	3	118.7830	0.278	3	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	N[6]-3:P-4:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C[6](N[6]C[6,6a]RuC)(N[6]C[6,6a]C)(H)2	C(N[6]C[6,6a]C[6])(PC[6]2Ru)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]RuC)(N[6]C[6,6a]C)(H)2{3|C<3>}	C(N[6]C[6,6a]C[6])(PC[6]2Ru)(H)2	119.7690	0.000	1	119.7690	0.000	1	119.7690	0.000	1	116.8541	4.142	8	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCCH)(H)2	N[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(N[6]C[6]2)(CCCH)(H)2	116.5150	0.000	1	116.5150	0.000	1	116.4377	3.214	7	116.8541	4.142	8	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(CHHO)(H)2	114.2990	0.000	1	114.2990	0.000	1	116.4377	3.214	7	116.8541	4.142	8	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH)	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|O<1>}	C(N[6]C[6]2)(CC[6a]HH)(H)2	119.2630	0.000	1	119.2630	0.000	1	116.4377	3.214	7	116.8541	4.142	8	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(N[6]C[6]2)(CCHH)(H)2	114.8870	0.000	1	114.8870	0.000	1	116.4377	3.214	7	116.8541	4.142	8	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C(N[6]C[6]2)(CCHH)(H)2	115.7940	0.000	1	115.7940	0.000	1	116.4377	3.214	7	116.8541	4.142	8	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)	C[6](C[6]N[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6a]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C(N[6]C[6]2)(CC[6a]HH)(H)2	118.3530	0.000	1	118.3530	0.000	1	116.4377	3.214	7	116.8541	4.142	8	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	115.9530	0.000	1	115.9530	0.000	1	116.4377	3.214	7	116.8541	4.142	8	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(CNO)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(CH3)(CNO)(H)	116.1790	0.000	1	116.1790	0.000	1	116.1790	0.000	1	116.1790	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:4:4:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]C[6,6a]S)(C[6]C[6]HH)(CCCH)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6,6a]S)(C[6]C[6]HH)(CCCH){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]C)(H)2{1|S<1>,4|C<3>}	C(N[6]C[6]2)(CH3)2(H)	116.1490	0.000	1	116.1490	0.000	1	116.1490	0.000	1	116.1490	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:2:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:O-2:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HO)(CC[6a]HH)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(OH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HO)(CC[6a]HH){1|C<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.4040	0.000	1	115.4040	0.000	1	115.4040	0.000	1	116.1440	1.095	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:2:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:S-2:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HS)(CC[6a]HH)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]C)(SC[6a])(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HS)(CC[6a]HH){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]C)(SC[6a])(H){1|O<1>,4|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.8840	0.000	1	116.8840	0.000	1	116.8840	0.000	1	116.1440	1.095	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3)	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C(N[6]C[6,6a]C[6])(H)3	115.8480	0.000	1	115.8480	0.000	1	115.8480	0.000	1	115.8480	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:3:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCHH)	C[6](C[6]C[6]HN)(N[6]C[6]C)(COO)(H)	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCHH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HN)(N[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(N[6]C[6]2)(CCH)(H)2	113.9660	0.000	1	113.9660	0.000	1	113.9660	0.000	1	113.9660	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:4:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CC[6a]HH)(H)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CC[6a]HH)(H){1|H<1>,5|C<3>}	C(N[6]C[6,6a]C[6])(H)3	117.9750	0.000	1	117.9750	0.000	1	117.9750	0.000	1	117.6350	0.231	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:4:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C(N[6]C[6]2)(H)3	117.2950	0.000	1	117.2950	0.000	1	117.2950	0.000	1	117.6350	0.231	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:4:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CCHH)(H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CCHH)(H){1|O<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	117.9460	0.000	1	117.9460	0.000	1	117.9460	0.000	1	117.3794	1.857	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:4:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]C[5,5,6,6]HO)(N[6]C[6]C)(CH3)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6,6]HO)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.1330	0.000	1	115.1330	0.000	1	116.1530	2.081	2	117.3794	1.857	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:4:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CF3)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CC[6a]HH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CF3)(H){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	117.1730	0.000	1	117.1730	0.000	1	116.1530	2.081	2	117.3794	1.857	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:4:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CCHH)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CCHO)(H)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CCHH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CCHO)(H){1|O<1>,2|C<3>}	C(N[6]C[6]2)(COO)(H)2	118.3225	0.487	2	118.3225	0.237	2	118.3225	0.237	2	117.3794	1.857	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:4:1:	3:3:4:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]CH)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]CH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	120.6220	0.000	1	120.6220	0.000	1	120.6220	0.000	1	120.6220	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:4:1:	3:4:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(CCHH)	C[6](C[6]C[4,6]ClH)(N[6]C[6]C)(CCCH)(H)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(CCHH){1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]ClH)(N[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|N<4>,1|O<1>}	C(N[6]C[6]2)(CCHH)(H)2	116.5230	0.000	1	116.5230	0.000	1	116.5230	0.000	1	116.5230	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:4:1:	3:4:4:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CCCH)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CCCH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H){1|H<1>,4|C<3>}	C(N[6]C[6]2)(CH3)2(H)	116.3210	0.000	1	116.3210	0.000	1	116.3210	0.000	1	116.3210	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:4:4:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]C)(C[6]C[6]CC)(CH3)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CH3)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]C)(C[6]C[6]CC)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CH3)2{1|C<4>,2|C<3>}	C(N[6]C[6]2)(H)3	117.1470	0.000	1	117.1470	0.000	1	117.1470	0.000	1	117.1470	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:2:4:	4:3:1:1:	3:4:4:1:	C[6]-4:C[6]-2:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]C[6]HH)(C[6]N[6])(CCCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6]HH)(C[6]N[6])(CCCH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,2|H<1>}	C(N[6]C[6]2)(CH3)2(H)	116.4205	0.011	2	116.4205	0.000	2	116.4205	0.000	2	116.4205	0.000	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:2:4:	4:3:1:1:	3:4:4:4:	C[6]-4:P[6]-2:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]C[6]HH)(P[6]N[6])(CC3)	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2	C(N[6]C[6]P[6])(CH3)3	N[6](C[6]C[6]HH)(P[6]N[6])(CC3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2{1|N<3>,2|H<1>}	C(N[6]C[6]P[6])(CH3)3	115.0750	0.000	1	115.0750	0.000	1	115.0750	0.000	1	115.0750	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	2:3:1:1:	3:4:4:1:	C[6]-4:C[6]-3:C-4:	O[6]-2:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]O[6]HH)(C[6]N[6]H)(CCCH)	C[6](O[6]B[3x6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]O[6]HH)(C[6]N[6]H)(CCCH){1|B<4>,1|C<4>}	C[6](O[6]B[3x6])(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<4>}	C(N[6]C[6]2)(CH3)2(H)	120.1120	0.146	2	120.1120	0.021	2	120.1120	0.021	2	120.1120	0.021	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:2:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:O[6]-2:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]O[6]HH)(C[6]N[6]N)(CH3)	C[6](N[6]C[6]C)(O[6]C[6])(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]O[6]HH)(C[6]N[6]N)(CH3){2|C<4>}	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(H)3	116.3585	1.407	4	116.3585	1.980	4	116.5696	1.708	5	116.5696	1.708	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:2:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:O[6]-2:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]O[6]HH)(C[6]N[6]O)(CH3)	C[6](N[6]C[6]C)(O[6]C[6])(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]O[6]HH)(C[6]N[6]O)(CH3){2|C<4>}	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(H)3	117.4140	0.000	1	117.4140	0.000	1	116.5696	1.708	5	116.5696	1.708	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:2:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:O[6]-2:H-1:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[5a]HH)	C[6](N[6]C[6]C)(O[6]C[6])(H)2	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[5a]HH){2|C<4>}	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	115.2560	0.000	1	115.2560	0.000	1	116.4445	2.825	2	116.8183	1.832	3	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:2:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:O[6]-2:H-1:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]O[6]HH)(C[6]N[6]O)(CC[5a]HH)	C[6](N[6]C[6]C)(O[6]C[6])(H)2	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]O[6]HH)(C[6]N[6]O)(CC[5a]HH){2|C<4>}	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	117.6330	0.000	1	117.6330	0.000	1	116.4445	2.825	2	116.8183	1.832	3	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:2:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:O[6]-2:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]O[6]HH)(C[6]N[6]N)(CCHH)	C[6](N[6]C[6]C)(O[6]C[6])(H)2	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]O[6]HH)(C[6]N[6]N)(CCHH){2|C<4>}	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CCH)(H)2	117.5660	0.000	1	117.5660	0.000	1	117.5660	0.000	1	116.8183	1.832	3	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:2:1:1:	3:3:4:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:O[6]-2:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[6a]CH)	C[6](N[6]C[6]C)(O[6]C[6])(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[6a]CH){2|C<4>}	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	120.5215	0.163	2	120.5215	0.027	2	120.5215	0.027	2	120.5215	0.027	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:2:3:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:N[6]-2:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CC[6a]HH)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CC[6a]HH){4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C)(H){3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	117.3430	0.000	1	117.3430	0.000	1	117.3430	0.000	1	117.3430	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:2:4:4:	3:4:4:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-2:C-4:C-4:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH)	C[6](N[6]C[6]C)(N[6]C[6])(CH3)2	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH){1|Ta<12>,1|C<4>,1|N<3>}	C[6](N[6]C[6]C)(N[6]C[6])(CH3)2{1|Ta<12>,1|C<4>,1|C<5>,1|H<1>}	C(N[6]C[6]2)(CH3)2(H)	122.2260	0.000	1	122.2260	0.000	1	122.2260	0.000	1	122.2260	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CH3){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(N[6]C[6]2)(H)3	115.0990	0.000	1	115.0990	0.000	1	115.0990	0.000	1	116.5343	4.016	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<2>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C(N[6]C[6]2)(H)3	115.8460	0.000	1	115.7916	0.217	5	115.7916	0.217	5	116.5343	4.016	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C(N[6]C[6]2)(H)3	116.1580	0.195	2	115.7916	0.217	5	115.7916	0.217	5	116.5343	4.016	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C(N[6]C[6]2)(H)3	115.3980	0.499	2	115.7916	0.217	5	115.7916	0.217	5	116.5343	4.016	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6,6]HH)(C[6]N[6]O)(CH3)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[6,6]HH)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|N<3>,2|O<1>}	C(N[6]C[6]2)(H)3	121.5640	0.000	1	121.5640	0.000	1	121.5640	0.000	1	116.5343	4.016	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)	C[6](N[6]C[6]C)2(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)(C[6]C[6]N)(CH3){1|N<3>,2|C<4>}	C[6](N[6]C[6]C)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(H)3	114.1680	1.035	2	114.1680	1.072	2	116.5493	3.606	8	116.5343	4.016	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3)	C[6](N[6]C[6]C)2(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3){1|H<1>,2|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(H)3	117.2310	1.484	3	116.9914	1.335	5	116.5493	3.606	8	116.5343	4.016	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3)	C[6](N[6]C[6]C)2(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3){3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(H)3	116.6320	0.713	2	116.9914	1.335	5	116.5493	3.606	8	116.5343	4.016	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]N[6]O)(CH3)	C[6](N[6]C[6]C)2(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>}	C[6](N[6]C[6]C)2(H)2{1|Rh<6>,1|N<3>,1|O<1>}	C(N[6]C[6]2)(H)3	119.1010	0.000	1	119.1010	0.000	1	116.5493	3.606	8	116.5343	4.016	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]N[6]H)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]N[6]H)(CC[6a]HH){1|Ru<9>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.9140	0.000	1	116.9140	0.000	1	115.0873	4.527	3	117.0096	3.887	34	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]N[6]Rh)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]N[6]Rh)(CC[6a]HH){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.7510	0.000	1	112.7510	0.000	1	115.0873	4.527	3	117.0096	3.887	34	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]S[6]S)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]S[6]S)(CC[6a]HH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|S<1>,1|S<2>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.5970	0.000	1	115.5970	0.000	1	115.0873	4.527	3	117.0096	3.887	34	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(N[6]C[6]2)(CNO)(H)2	115.9985	1.462	2	115.9985	2.136	2	115.9985	2.136	2	117.0096	3.887	34	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.0870	0.000	1	115.9815	0.022	2	115.9815	0.022	2	117.0096	3.887	34	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.8760	0.000	1	115.9815	0.022	2	115.9815	0.022	2	117.0096	3.887	34	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C(N[6]C[6]2)(COO)(H)2	115.6270	0.000	1	115.6270	0.000	1	115.6270	0.000	1	117.0096	3.887	34	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH)	C[6](N[6]C[6]C)2(H)2	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH){1|H<1>,2|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(H)2	116.4920	0.000	1	116.4920	0.000	1	116.9560	0.405	3	117.0096	3.887	34	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH)	C[6](N[6]C[6]C)2(H)2	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH){1|H<1>,2|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	116.6950	0.000	1	117.1880	0.486	2	116.9560	0.405	3	117.0096	3.887	34	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH)	C[6](N[6]C[6]C)2(H)2	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH){3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	117.6810	0.000	1	117.1880	0.486	2	116.9560	0.405	3	117.0096	3.887	34	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]N[6]H)(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]H)(CC[6a]HH){3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	119.1100	0.486	2	119.1100	0.237	2	117.8443	3.587	19	117.0096	3.887	34	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH){3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<3>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.8103	2.179	3	116.8103	4.749	3	117.8443	3.587	19	117.0096	3.887	34	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH){3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<3>,1|O<1>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	118.5931	1.459	10	118.5931	2.130	10	117.8443	3.587	19	117.0096	3.887	34	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]N[6]Rh)(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]Rh)(CC[6a]HH){1|C<3>,2|C<4>}	C[6](N[6]C[6]C)2(H)2{1|Rh<6>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	117.5350	0.000	1	117.5350	0.000	1	117.8443	3.587	19	117.0096	3.887	34	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]N[6]S)(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]S)(CC[6a]HH){3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<3>,1|S<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.8605	0.276	2	116.8605	0.076	2	117.8443	3.587	19	117.0096	3.887	34	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]S[6]S)(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]S[6]S)(CC[6a]HH){2|C<4>}	C[6](N[6]C[6]C)2(H)2{1|S<1>,1|S<2>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	113.2030	0.000	1	113.2030	0.000	1	117.8443	3.587	19	117.0096	3.887	34	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N-3:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]N[6]S)(CHHN)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]H)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]S)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C(N[6]C[6]2)(NC[6a]H)(H)2	115.8923	2.329	4	115.8923	5.424	4	115.8923	5.424	4	117.0096	3.887	34	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:3:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-3:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CNO)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH){1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CNO)(H)	117.5160	0.000	1	117.5160	0.000	1	117.5160	0.000	1	117.5160	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:3:4:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[6a]CH)	C[6](N[6]C[6]C)2(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[6a]CH){3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	118.8890	0.000	1	118.8890	0.000	1	118.8890	0.000	1	118.8890	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]N)(CCHH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>}	C(N[6]C[6]2)(CCHH)(H)2	116.8370	0.000	1	116.8370	0.000	1	116.5116	0.415	14	116.6403	0.633	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,1|N<2>,1|O<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>}	C(N[6]C[6]2)(CHHN)(H)2	117.4890	0.000	1	117.4890	0.000	1	116.5116	0.415	14	116.6403	0.633	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCCH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>}	C(N[6]C[6]2)(CCCH)(H)2	115.8190	0.000	1	115.8190	0.000	1	116.5116	0.415	14	116.6403	0.633	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C(N[6]C[6]2)(CC[6a]HH)(H)2	116.4354	0.680	9	116.4354	0.463	9	116.5116	0.415	14	116.6403	0.633	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C(N[6]C[6]2)(CHHO)(H)2	116.7660	0.000	1	116.5490	0.094	2	116.5116	0.415	14	116.6403	0.633	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C(N[6]C[6]2)(CHHO)(H)2	116.3320	0.000	1	116.5490	0.094	2	116.5116	0.415	14	116.6403	0.633	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:Si-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CSiHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SiCCF)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CSiHH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C(N[6]C[6]2)(SiCCF)(H)2	118.4420	0.000	1	118.4420	0.000	1	118.4420	0.000	1	116.6403	0.633	15	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:4:4:1:	C[6]-4:B[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]N[6]HH)(B[6]N[6]H)(CCCH)	C[6](N[6]B[6]C)(N[6]C[6]C)(H)2	C(N[6]B[6]C[6])(CH3)2(H)	N[6](C[6]N[6]HH)(B[6]N[6]H)(CCCH){1|C<3>,2|C<4>}	C[6](N[6]B[6]C)(N[6]C[6]C)(H)2{1|H<1>,2|N<3>}	C(N[6]B[6]C[6])(CH3)2(H)	116.4920	0.000	1	116.4920	0.000	1	116.4920	0.000	1	117.1230	0.796	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:4:4:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]N[6]HH)(C[6]N[6]N)(CCCH)	C[6](N[6]B[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]N[6]HH)(C[6]N[6]N)(CCCH){1|B<3>,2|C<4>}	C[6](N[6]B[6]C)(N[6]C[6]C)(H)2{1|H<1>,2|N<3>}	C(N[6]C[6]2)(CH3)2(H)	117.7540	0.000	1	117.7540	0.000	1	117.7540	0.000	1	117.1230	0.796	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:4:4:4:	C[6]-4:B[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3)	C[6](C[6]C[6]H)(N[6]B[6]C)(H)2	C(N[6]B[6]C[6])(CH3)3	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]B[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>}	C(N[6]B[6]C[6])(CH3)3	113.0315	0.285	2	113.0315	0.081	2	113.0315	0.081	2	113.0315	0.081	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:2:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-2:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CN)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CN)(H){1|O<1>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	117.3600	0.000	1	117.3600	0.000	1	117.3600	0.000	1	116.8900	0.442	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:2:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:O-2:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(OC)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(OC)(H){1|O<1>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.4200	0.000	1	116.4200	0.000	1	116.4200	0.000	1	116.8900	0.442	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:2:1:	3:4:4:4:	C[6]-4:C[6]-3:C-4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]C[6a]O[6]H)(C[6]N[6]H)(CC3)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]B[6])(H)	C(N[6]C[6]2)(CH3)3	N[6](C[6]C[6a]O[6]H)(C[6]N[6]H)(CC3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]B[6])(H){1|N<3>,3|H<1>,4|C<3>}	C(N[6]C[6]2)(CH3)3	120.1360	0.000	1	120.1360	0.000	1	120.1360	0.000	1	120.1360	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:3:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3){1|C<4>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(N[6]C[6]2)(H)3	117.0730	0.000	1	117.0730	0.000	1	117.0730	0.000	1	117.6053	1.107	3	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:3:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	C(N[6]C[6]2)(H)3	118.8170	0.000	1	118.8170	0.000	1	117.8715	1.788	2	117.6053	1.107	3	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:3:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(H){1|O<1>,2|C<4>}	C(N[6]C[6]2)(H)3	116.9260	0.000	1	116.9260	0.000	1	117.8715	1.788	2	117.6053	1.107	3	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.3120	0.000	1	115.3120	0.000	1	116.6820	1.065	6	116.7167	0.967	17	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH){1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|N<2>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	117.1628	0.860	4	116.9560	0.768	5	116.6820	1.065	6	116.7167	0.967	17	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH){1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<2>,3|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.1290	0.000	1	116.9560	0.768	5	116.6820	1.065	6	116.7167	0.967	17	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CC[6a]HH){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<2>,3|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.2100	0.000	1	115.2100	0.000	1	115.2100	0.000	1	116.7167	0.967	17	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCO)(H){1|O<1>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.3190	0.000	1	116.3190	0.000	1	116.3190	0.000	1	116.7167	0.967	17	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[5a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[5a]HH){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	116.6650	0.000	1	116.6650	0.000	1	116.6650	0.000	1	116.7167	0.967	17	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]HH){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H){1|N<2>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.6333	0.816	4	116.6333	0.666	4	116.5956	0.507	5	116.7167	0.967	17	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]HH){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.4450	0.000	1	116.4450	0.000	1	116.5956	0.507	5	116.7167	0.967	17	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6]O)(CC[5a]HH)	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]C)(H)	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6]O)(CC[5a]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	116.9940	0.735	2	116.9940	0.541	2	116.9940	0.541	2	116.7167	0.967	17	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[5,6,6]O)(CC[5a]HH)	C[6](N[6]C[5,6,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[5,6,6]O)(CC[5a]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	118.9320	0.000	1	118.9320	0.000	1	118.9320	0.000	1	116.7167	0.967	17	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:3:1:	3:3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CC[6a]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CC[6a]2H){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|Cl<1>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	114.9250	0.000	1	114.9720	0.004	2	114.9720	0.004	2	114.9720	0.004	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:3:1:	3:3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CC[6a]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CC[6a]2H){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	115.0190	0.000	1	114.9720	0.004	2	114.9720	0.004	2	114.9720	0.004	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:3:2:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:S-2:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(SC)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(SC){1|O<1>,2|C<4>}	C(N[6]C[6]2)(H)3	116.9010	0.000	1	116.9010	0.000	1	116.9010	0.000	1	116.9010	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:3:2:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH)	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C(N[6]C[6]2)(CNO)(H)2	118.9280	0.000	1	118.9280	0.000	1	120.2865	3.691	2	120.2865	3.691	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:3:2:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH)	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH){1|C<4>,5|C<3>}	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C(N[6]C[6]2)(COO)(H)2	121.6450	0.000	1	121.6450	0.000	1	120.2865	3.691	2	120.2865	3.691	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:3:3:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6])(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6])(CC[6a]HH){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO){1|N<2>,3|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.2855	0.677	2	116.2855	0.458	2	116.2855	0.458	2	116.2662	0.218	4	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:3:3:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6a]-3:N[6]-3:N-3:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]N)(C[6]C[6,6a]O)(CC[6a]HH)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C)(NHH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]N)(C[6]C[6,6a]O)(CC[6a]HH){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C)(NHH){1|O<1>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.2470	0.441	2	116.2470	0.195	2	116.2470	0.195	2	116.2662	0.218	4	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3){3|C<3>,4|H<1>}	C(N[6]C[6]2)(H)3	116.7727	0.454	3	116.7727	0.206	3	116.7727	0.206	3	116.7727	0.206	3	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(N[6]C[6]2)(H)3	116.2990	0.027	4	116.2990	0.001	4	116.9270	0.808	23	116.9270	0.808	23	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCOO)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCOO)(H){1|O<1>,2|C<4>}	C(N[6]C[6]2)(H)3	119.0050	0.000	1	119.0050	0.000	1	116.9270	0.808	23	116.9270	0.808	23	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5]HH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5]HH)(H){1|O<1>,2|C<4>}	C(N[6]C[6]2)(H)3	118.5300	0.000	1	118.5300	0.000	1	116.9270	0.808	23	116.9270	0.808	23	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C(N[6]C[6]2)(H)3	117.1090	0.000	1	117.1090	0.000	1	116.9270	0.808	23	116.9270	0.808	23	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C(N[6]C[6]2)(H)3	115.8810	0.000	1	116.8295	0.759	13	116.9270	0.808	23	116.9270	0.808	23	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(N[6]C[6]2)(H)3	116.1170	0.064	2	116.8295	0.759	13	116.9270	0.808	23	116.9270	0.808	23	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(N[6]C[6]2)(H)3	117.1272	0.887	9	116.8295	0.759	13	116.9270	0.808	23	116.9270	0.808	23	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(N[6]C[6]2)(H)3	116.5230	0.000	1	116.8295	0.759	13	116.9270	0.808	23	116.9270	0.808	23	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CClHH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CClHH)(H){1|O<1>,2|C<4>}	C(N[6]C[6]2)(H)3	116.8993	0.127	3	116.8993	0.016	3	116.9270	0.808	23	116.9270	0.808	23	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:2:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C-2:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H)	C(N[6]C[6]2)(CC)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(N[6]C[6]2)(CC)(H)2	117.3335	1.207	2	117.3335	1.457	2	117.3335	1.457	2	117.3335	1.457	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.3605	0.271	2	116.3605	0.073	2	116.9163	0.461	4	117.4356	1.156	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]N[6]Ir)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]N[6]Ir)(CC[6a]HH){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	117.4720	0.274	2	117.4720	0.075	2	116.9163	0.461	4	117.4356	1.156	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H)	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	117.4040	0.000	1	117.4040	0.000	1	117.4040	0.000	1	117.4356	1.156	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.9370	0.301	2	116.9370	0.091	2	117.5761	1.371	15	117.4356	1.156	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	117.3970	0.000	1	116.6990	1.071	4	117.5761	1.371	15	117.4356	1.156	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.2780	0.000	1	116.6990	1.071	4	117.5761	1.371	15	117.4356	1.156	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|O<1>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	117.6810	0.000	1	116.6990	1.071	4	117.5761	1.371	15	117.4356	1.156	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.4400	0.000	1	116.6990	1.071	4	117.5761	1.371	15	117.4356	1.156	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|O<1>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	117.8770	0.000	1	117.4923	0.124	3	117.5761	1.371	15	117.4356	1.156	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	117.3000	0.158	2	117.4923	0.124	3	117.5761	1.371	15	117.4356	1.156	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]CH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	118.7843	0.977	3	118.7843	0.954	3	117.5761	1.371	15	117.4356	1.156	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CHHO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.5930	0.000	1	116.5930	0.000	1	117.5761	1.371	15	117.4356	1.156	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]N[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]N[6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	117.8790	0.000	1	118.7745	1.604	2	117.5761	1.371	15	117.4356	1.156	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]N[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]N[6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	119.6700	0.000	1	118.7745	1.604	2	117.5761	1.371	15	117.4356	1.156	20	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H){3|C<3>}	C(N[6]C[6]2)(CCHH)(H)2	118.6420	0.636	2	118.6420	0.405	2	118.0453	2.602	6	118.0453	2.602	6	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H){1|H<1>,2|C<3>}	C(N[6]C[6]2)(CCHH)(H)2	119.3590	1.039	2	119.3590	1.080	2	118.0453	2.602	6	118.0453	2.602	6	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(N[6]C[6]2)(CCHH)(H)2	116.3080	0.000	1	116.3080	0.000	1	118.0453	2.602	6	118.0453	2.602	6	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]N[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]N[6]O)(CCHH){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>}	C(N[6]C[6]2)(CCHH)(H)2	115.9620	0.000	1	115.9620	0.000	1	118.0453	2.602	6	118.0453	2.602	6	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:2:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:O-2:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CO)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(OH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CO)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(OH){1|O<1>,2|C<4>}	C(N[6]C[6]2)(H)3	117.3603	0.372	3	117.3603	0.139	3	117.3603	0.139	3	117.9753	0.568	6	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:2:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:S-2:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(SC)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(SC){1|C<4>,1|H<1>,1|O<1>}	C(N[6]C[6]2)(H)3	118.3250	0.000	1	118.3250	0.000	1	118.5903	0.148	3	117.9753	0.568	6	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:2:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:S-2:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(SS)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(SS){1|O<1>,2|C<4>}	C(N[6]C[6]2)(H)3	118.7230	0.436	2	118.7230	0.190	2	118.5903	0.148	3	117.9753	0.568	6	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:2:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:O-2:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]CO)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(CF3)(OH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CO)(C[6]C[6]N)(CCHH){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>}	C(N[6]C[6]2)(CCHH)(H)2	120.9760	0.000	1	120.9760	0.000	1	120.9760	0.000	1	120.9760	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:4:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:C-4:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(CCHH)	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(CCHH){1|C<3>,1|C<4>,1|O<1>}	C(N[6]C[6]2)(CCH)(H)2	118.6980	0.000	1	118.6980	0.000	1	118.6980	0.000	1	118.6980	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:4:4:	3:4:4:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:C-4:C-4:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH)	C[6](N[6]C[6]C)(N[6]C[6]H)(CH3)2	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,1|S<1>}	C(N[6]C[6]2)(CH3)2(H)	123.4750	0.000	1	123.4750	0.000	1	123.4750	0.000	1	123.4750	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[5]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]FH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]FH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C(N[6]C[6]2)(H)3	117.6750	0.000	1	117.6750	0.000	1	117.6880	0.000	2	116.8283	2.031	9	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[5]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C(N[6]C[6]2)(H)3	117.7010	0.000	1	117.7010	0.000	1	117.6880	0.000	2	116.8283	2.031	9	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|H<1>,2|O<1>,3|C<3>}	C(N[6]C[6]2)(H)3	117.2850	0.000	1	117.2850	0.000	1	116.5827	2.391	7	116.8283	2.031	9	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(N[6]C[6]2)(H)3	114.8520	0.000	1	115.2940	2.209	3	116.5827	2.391	7	116.8283	2.031	9	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	116.9510	0.000	1	115.2940	2.209	3	116.5827	2.391	7	116.8283	2.031	9	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C(N[6]C[6]2)(H)3	114.0790	0.000	1	115.2940	2.209	3	116.5827	2.391	7	116.8283	2.031	9	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<4>,2|C<3>}	C(N[6]C[6]2)(H)3	116.7990	0.000	1	116.7990	0.000	1	116.5827	2.391	7	116.8283	2.031	9	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CH3){1|O<2>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C(N[6]C[6]2)(H)3	118.0565	0.250	2	118.0565	0.062	2	116.5827	2.391	7	116.8283	2.031	9	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:4:3:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[5a]C[5a,6a]C[5a])(C[6]N[6]HH)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]N[6]HH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.7540	0.000	1	116.7540	0.000	1	116.7540	0.000	1	116.7540	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:4:3:1:	3:3:4:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	119.3870	0.000	1	119.1780	0.088	3	119.1780	0.088	3	119.1780	0.088	3	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:4:3:1:	3:3:4:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|Si<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	119.3090	0.000	1	119.1780	0.088	3	119.1780	0.088	3	119.1780	0.088	3	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:4:3:1:	3:3:4:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	118.8380	0.000	1	119.1780	0.088	3	119.1780	0.088	3	119.1780	0.088	3	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH)	C[6](C[5a]C[5a]O[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH){1|H<1>,1|O<2>,4|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	C(N[6]C[6]2)(CC[6a]HH)(H)2	118.1655	0.517	2	118.1655	0.267	2	117.5707	1.195	3	117.2151	1.135	11	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH)	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	C(N[6]C[6]2)(CC[6a]HH)(H)2	116.3810	0.000	1	116.3810	0.000	1	117.5707	1.195	3	117.2151	1.135	11	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C(N[6]C[6]2)(CCHH)(H)2	117.3435	0.443	2	117.3435	0.197	2	117.3435	0.197	2	117.2151	1.135	11	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[5]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[5]C[6]H)(C[6]C[6a]N[6])(CCHH)	C[6](C[6]C[6a]N[6])(C[5]C[5]2Mn)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[5]C[6]H)(C[6]C[6a]N[6])(CCHH){1|Mn<8>,1|N<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[5]C[5]2Mn)(N[6]C[6]C)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C(N[6]C[6]2)(CH3)(H)2	118.7180	0.000	1	118.7180	0.000	1	118.7180	0.000	1	117.2151	1.135	11	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH)	C[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH){1|H<1>,1|N<2>,4|C<3>}	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>}	C(N[6]C[6]2)(CCHH)(H)2	117.4805	1.036	2	117.4805	1.073	2	116.6498	1.124	5	117.2151	1.135	11	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(N[6]C[6]2)(CH3)(H)2	115.9870	1.025	2	115.9870	1.051	2	116.6498	1.124	5	117.2151	1.135	11	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(N[6]C[6]2)(CCHH)(H)2	116.3140	0.000	1	116.3140	0.000	1	116.6498	1.124	5	117.2151	1.135	11	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:4:3:1:	3:4:4:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCCH)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCCH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(N[6]C[6]2)(CH3)2(H)	119.2330	0.000	1	119.2330	0.000	1	119.2330	0.000	1	119.2330	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:4:3:1:	3:4:4:4:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(N[6]C[6]2)(CH3)3	118.4710	0.000	1	118.4710	0.000	1	118.1507	0.084	3	118.1507	0.084	3	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:4:3:1:	3:4:4:4:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C(N[6]C[6]2)(CH3)3	117.9905	0.118	2	117.9905	0.014	2	118.1507	0.084	3	118.1507	0.084	3	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CH3)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C(N[6]C[6]2)(H)3	120.2900	0.000	1	120.2900	0.000	1	120.2900	0.000	1	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(N[6]C[6]2)(H)3	116.6410	0.000	1	116.6410	0.000	1	116.6410	0.000	1	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]2)(H)3	114.1547	0.313	3	114.1547	0.098	3	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	C[6](C[6]C[6]MoH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(N[6]C[6]2)(H)3	112.6180	1.433	2	112.6180	2.052	2	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C(N[6]C[6]2)(H)3	118.0850	0.000	1	118.0850	0.000	1	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]N)(CH3){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|N<2>,2|C<4>}	C(N[6]C[6]2)(H)3	115.9370	0.000	1	115.9370	0.000	1	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C(N[6]C[6]2)(H)3	116.5080	0.000	1	116.5080	0.000	1	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(H)3	115.5480	0.000	1	116.2641	1.352	10	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|H<1>,2|I<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(H)3	116.3560	0.000	1	116.2641	1.352	10	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|H<1>,2|S<2>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(H)3	116.5448	0.243	5	116.2641	1.352	10	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	C(N[6]C[6]2)(H)3	118.1110	0.000	1	116.2641	1.352	10	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(H)3	116.3920	0.000	1	116.2641	1.352	10	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(N[6]C[6]2)(H)3	113.5100	0.000	1	116.2641	1.352	10	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C(N[6]C[6]2)(H)3	117.8455	0.735	2	117.8455	0.540	2	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|N<3>,1|S<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C(N[6]C[6]2)(H)3	117.4450	0.000	1	117.6765	0.107	2	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>}	C(N[6]C[6]2)(H)3	117.9080	0.000	1	117.6765	0.107	2	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<2>,2|H<1>}	C(N[6]C[6]2)(H)3	111.2780	0.123	2	111.2780	0.015	2	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|C<4>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>}	C(N[6]C[6]2)(H)3	117.3732	1.157	4	117.3732	1.338	4	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>}	C(N[6]C[6]2)(H)3	115.8730	0.000	1	117.0378	1.697	27	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	C(N[6]C[6]2)(H)3	118.7420	0.000	1	117.0378	1.697	27	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|S<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>}	C(N[6]C[6]2)(H)3	116.3715	1.691	2	117.0378	1.697	27	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	C(N[6]C[6]2)(H)3	117.0723	1.281	23	117.0378	1.697	27	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C(N[6]C[6]2)(H)3	117.8520	0.000	1	117.8520	0.000	1	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C(N[6]C[6]2)(H)3	114.1010	0.000	1	114.3565	0.774	12	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(H)3	114.1087	0.693	7	114.3565	0.774	12	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C(N[6]C[6]2)(H)3	114.8540	1.175	4	114.3565	0.774	12	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(H)3	115.1810	0.000	1	116.8726	1.203	56	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(N[6]C[6]2)(H)3	115.9980	0.000	1	116.8726	1.203	56	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(H)3	116.9938	1.223	20	116.8726	1.203	56	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<2>,2|H<1>}	C(N[6]C[6]2)(H)3	116.8768	1.012	34	116.8726	1.203	56	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Rh<4>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(H)3	114.4352	0.848	4	114.4352	0.719	4	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]Ru)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]Ru)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Ru<4>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(H)3	114.7837	0.795	4	114.7837	0.633	4	116.3323	2.699	132	116.3641	2.776	134	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	119.1490	0.000	1	119.1490	0.000	1	119.1490	0.000	1	116.7992	3.066	52	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[5a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[5a]HH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	118.4660	0.554	2	118.4660	0.307	2	118.4660	0.307	2	116.7992	3.066	52	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]Pd)(CC[6]HH)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Pd)(CC[6]HH){4|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|Pd<4>,1|N<3>,2|H<1>}	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	118.1325	0.310	2	118.1325	0.096	2	118.1325	0.096	2	116.7992	3.066	52	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	114.7410	0.000	1	114.7410	0.000	1	116.6423	4.032	34	116.7992	3.066	52	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(H)2{1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	117.0215	1.066	2	117.0215	1.136	2	116.6423	4.032	34	116.7992	3.066	52	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	114.4740	0.000	1	114.4740	0.000	1	116.6423	4.032	34	116.7992	3.066	52	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	118.7005	1.655	2	116.5796	6.226	5	116.6423	4.032	34	116.7992	3.066	52	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	114.7800	0.000	1	116.5796	6.226	5	116.6423	4.032	34	116.7992	3.066	52	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.3585	2.635	2	116.5796	6.226	5	116.6423	4.032	34	116.7992	3.066	52	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.1670	0.000	1	115.1670	0.000	1	116.6423	4.032	34	116.7992	3.066	52	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.6070	0.000	1	116.6070	0.000	1	116.6423	4.032	34	116.7992	3.066	52	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.6830	0.000	1	112.6830	0.000	1	116.6423	4.032	34	116.7992	3.066	52	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH){1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	117.4215	2.037	11	117.4215	4.147	11	116.6423	4.032	34	116.7992	3.066	52	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CC[6a]HH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.2600	0.000	1	112.2600	0.000	1	116.6423	4.032	34	116.7992	3.066	52	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	117.8677	0.555	6	117.8677	0.308	6	116.6423	4.032	34	116.7992	3.066	52	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	116.5310	0.000	1	116.5310	0.000	1	116.6423	4.032	34	116.7992	3.066	52	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]N)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]N)(CC[6a]HH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.1360	0.000	1	115.1360	0.000	1	116.6423	4.032	34	116.7992	3.066	52	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.1650	0.000	1	116.2275	0.008	2	116.6423	4.032	34	116.7992	3.066	52	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.2900	0.000	1	116.2275	0.008	2	116.6423	4.032	34	116.7992	3.066	52	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Co<6>,1|O<1>,2|C<4>}	C(N[6]C[6]2)(COO)(H)2	116.0050	0.000	1	115.8430	0.052	2	115.5197	0.340	3	116.7992	3.066	52	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Ni<6>,1|O<1>,2|C<4>}	C(N[6]C[6]2)(COO)(H)2	115.6810	0.000	1	115.8430	0.052	2	115.5197	0.340	3	116.7992	3.066	52	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCHH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C(N[6]C[6]2)(COO)(H)2	114.8730	0.000	1	114.8730	0.000	1	115.5197	0.340	3	116.7992	3.066	52	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]H)(CN[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CN[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C(N[6]C[6]2)2(H)2	117.2805	0.005	2	117.2805	0.000	2	117.2805	0.000	2	116.7992	3.066	52	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	P[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]P[6]HH)(C[6]N[6]H)(CC[6a]HH)	C[6](P[6]C[6]Pt2)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]P[6]HH)(C[6]N[6]H)(CC[6a]HH){2|Pt<4>,2|C<4>}	C[6](P[6]C[6]Pt2)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.7815	0.448	8	116.7815	0.201	8	116.7815	0.201	8	116.7992	3.066	52	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:C-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CH)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C(C[5a]C[5a,6a]C[5a])(N[6]C[6]2)(CNO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CH){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(N[6]C[6]2)(CNO)(H)	116.6020	0.000	1	116.6020	0.000	1	116.6020	0.000	1	117.5800	1.913	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]2H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]2H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<1>,2|H<1>}	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	118.5580	0.000	1	118.5580	0.000	1	118.5580	0.000	1	117.5800	1.913	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-3:C-4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	116.5320	0.000	1	116.5320	0.000	1	116.5320	0.000	1	116.4317	1.209	11	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]CH)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]CH){1|N<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	117.7320	0.000	1	117.7320	0.000	1	117.7320	0.000	1	116.4317	1.209	11	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	117.3290	0.000	1	117.5253	0.724	3	116.2761	1.271	9	116.4317	1.209	11	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	116.7900	0.000	1	117.5253	0.724	3	116.2761	1.271	9	116.4317	1.209	11	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	118.4570	0.000	1	117.5253	0.724	3	116.2761	1.271	9	116.4317	1.209	11	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CHHO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CHHO)(H)	116.3490	0.297	2	116.3490	0.088	2	116.2761	1.271	9	116.4317	1.209	11	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]CH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]CH){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<1>,2|O<2>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	115.4190	0.000	1	115.4190	0.000	1	116.2761	1.271	9	116.4317	1.209	11	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]CH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|S<1>,1|S<2>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	115.2640	0.260	3	115.2640	0.068	3	116.2761	1.271	9	116.4317	1.209	11	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CCHH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CCHH){2|H<1>,3|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	118.4550	0.000	1	118.4550	0.000	1	118.4550	0.000	1	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	119.4230	0.000	1	119.4230	0.000	1	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	115.3280	0.000	1	115.3280	0.000	1	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[5a]HH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(N[6]C[6]2)(CC[5a]HH)(H)2	114.9160	1.069	2	114.9160	1.143	2	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C(N[6]C[6]2)(CN[6]HH)(H)2	116.0960	0.000	1	116.4915	0.313	2	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(CN[6]HH)(H)2	116.8870	0.000	1	116.4915	0.313	2	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C(N[6]C[6]2)(CCHH)(H)2	119.0125	3.607	2	119.0125	13.010	2	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C(N[6]C[6]2)(CH3)(H)2	118.5920	0.000	1	118.5920	0.000	1	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	C(N[6]C[6]2)(CHHN)(H)2	120.2150	0.000	1	117.9320	10.424	2	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(N[6]C[6]2)(CHHN)(H)2	115.6490	0.000	1	117.9320	10.424	2	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|S<3>,4|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C(N[6]C[6]2)(CHHN)(H)2	120.6630	0.000	1	120.6630	0.000	1	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	114.3040	0.433	2	115.4458	16.047	54	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	116.7401	1.859	7	115.4458	16.047	54	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	117.3182	1.211	5	115.4458	16.047	54	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	115.1540	5.468	26	115.4458	16.047	54	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Cr<7>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	113.9150	0.000	1	115.4458	16.047	54	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Cr<8>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	113.9320	0.000	1	115.4458	16.047	54	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Ga<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	112.5480	0.000	1	115.4458	16.047	54	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Ir<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	115.5170	0.000	1	115.4458	16.047	54	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Ni<5>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	115.2790	0.000	2	115.4458	16.047	54	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Ni<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	116.2540	0.000	2	115.4458	16.047	54	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Pd<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	110.5230	0.000	1	115.4458	16.047	54	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Re<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	116.5790	0.000	1	115.4458	16.047	54	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Zn<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	115.8960	0.000	1	115.4458	16.047	54	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Zn<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	115.8065	0.076	2	115.4458	16.047	54	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	114.1020	0.000	1	115.4458	16.047	54	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	119.7010	0.000	1	119.7010	0.000	1	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C(N[6]C[6]2)(CH3)(H)2	118.8300	0.006	2	118.8300	0.000	2	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C(N[6]C[6]2)(CN[6]HH)(H)2	118.0555	0.185	2	118.0555	0.034	2	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]Ir)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC3)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Ir)(CCHH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Ir<6>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CC3)(H)2	115.3650	0.256	2	115.3650	0.066	2	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCHH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	115.6560	0.427	2	115.6560	0.182	2	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCHH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Rh<6>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	115.4925	0.207	2	115.4925	0.043	2	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCHH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Rh<4>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CH3)(H)2	115.0122	0.845	4	115.0122	0.714	4	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]Ru)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Ru)(CCHH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Ru<4>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CH3)(H)2	114.7975	0.153	2	114.7975	0.024	2	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(N[6]C[6]2)(CCHH)(H)2	116.0670	0.000	1	116.0670	0.000	1	115.9166	12.162	84	115.9465	12.093	85	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCCH)(COO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(CCCH)(COO)(H)	116.0990	0.000	1	116.0990	0.000	1	117.1392	0.621	5	117.1392	0.621	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	117.0780	0.000	1	117.0780	0.000	1	117.1392	0.621	5	117.1392	0.621	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	117.1760	0.583	2	117.1760	0.339	2	117.1392	0.621	5	117.1392	0.621	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]HH)(COO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C(N[6]C[6]2)(CC[6a]HH)(COO)(H)	118.1670	0.000	1	118.1670	0.000	1	117.1392	0.621	5	117.1392	0.621	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:4:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH){1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	C(N[6]C[6]2)(CH3)2(H)	118.4946	0.745	10	118.0494	0.928	14	117.4435	1.366	22	117.4435	1.366	22	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:4:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH){1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<3>}	C(N[6]C[6]2)(CH3)2(H)	116.9245	0.346	2	118.0494	0.928	14	117.4435	1.366	22	117.4435	1.366	22	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:4:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH){1|N<3>,1|S<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	C(N[6]C[6]2)(CH3)2(H)	116.9480	0.065	2	118.0494	0.928	14	117.4435	1.366	22	117.4435	1.366	22	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:4:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCCH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Rh<4>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CH3)2(H)	115.9570	0.399	4	116.2632	0.418	6	117.4435	1.366	22	117.4435	1.366	22	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:4:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCCH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Rh<6>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CH3)2(H)	116.8755	0.698	2	116.2632	0.418	6	117.4435	1.366	22	117.4435	1.366	22	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:4:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]Ru)(CCCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6]HH)(C[6]N[6]Ru)(CCCH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Ru<4>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CH3)2(H)	116.7430	0.235	2	116.7430	0.055	2	117.4435	1.366	22	117.4435	1.366	22	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:4:4:	C[6]-4:B[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3)	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2	C(N[6]B[6]C[6])(CH3)3	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>}	C(N[6]B[6]C[6])(CH3)3	113.3210	0.000	1	113.0420	0.156	2	113.0420	0.156	2	113.0420	0.156	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:4:4:	C[6]-4:B[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3)	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2	C(N[6]B[6]C[6])(CH3)3	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(N[6]B[6]C[6])(CH3)3	112.7630	0.000	1	113.0420	0.156	2	113.0420	0.156	2	113.0420	0.156	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6]C[6,6]C[6]H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6,6]C[6]H)(N[6]C[6]2)(H)2	116.9440	0.000	1	116.9440	0.000	1	116.9440	0.000	1	116.9440	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:2:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:O-2:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(OC)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HO)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(OC)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(N[6]C[6]2)(H)3	118.4595	3.583	2	118.4595	12.837	2	118.6927	6.582	3	118.6927	6.582	3	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:2:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:O-2:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HO)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]C)(OH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HO)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(OH)(H){1|N<3>,2|O<1>}	C(N[6]C[6]2)(H)3	119.1590	0.000	1	119.1590	0.000	1	118.6927	6.582	3	118.6927	6.582	3	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:2:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:O-2:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(OH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(OH)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	117.9940	0.000	1	117.9940	0.000	1	116.6110	3.825	2	116.6110	3.825	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:2:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:O-2:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(OH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(OH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.2280	0.000	1	115.2280	0.000	1	116.6110	3.825	2	116.6110	3.825	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[4]-4:C[6]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[4]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[4]C[4]2C)(C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[4]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[6](C[4]C[4]2C)(C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C(N[6]C[6]2)(H)3	121.0470	0.000	1	121.0470	0.000	1	121.0470	0.000	1	117.6268	4.571	12	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]2H)(C[6]C[6]O)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|N<3>,2|O<1>,3|C<4>}	C(N[6]C[6]2)(H)3	120.3840	0.151	2	120.3840	0.023	2	120.3840	0.023	2	117.6268	4.571	12	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C(N[6]C[6]2)(H)3	117.3900	0.000	1	117.3900	0.000	1	116.6340	1.811	9	117.6268	4.571	12	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,6|C<3>}	C(N[6]C[6]2)(H)3	116.1773	1.375	3	116.1773	1.892	3	116.6340	1.811	9	117.6268	4.571	12	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C(N[6]C[6]2)(H)3	115.1345	0.094	2	115.1345	0.009	2	116.6340	1.811	9	117.6268	4.571	12	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C(N[6]C[6]2)(H)3	117.8383	0.571	3	117.8383	0.326	3	116.6340	1.811	9	117.6268	4.571	12	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C(N[6]C[6]2)(COO)(H)2	116.1260	0.000	1	116.1260	0.000	1	116.1260	0.000	1	115.8928	0.398	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-3:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	C(C[5a]C[5a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[5a]C[5a]2)(N[6]C[6]2)(H)2	116.7060	0.000	1	116.7060	0.000	1	116.7060	0.000	1	115.8928	0.398	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(COO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.0620	0.000	1	116.0620	0.000	1	116.0620	0.000	1	115.8928	0.398	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:N-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HN)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(NCH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HN)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(NCH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.2850	0.330	2	115.2850	0.109	2	115.2850	0.109	2	115.8928	0.398	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:3:1:	3:3:3:1:	C[6]-4:C[6]-3:C-4:	C-4:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]2H)	C[6](CC[6a]ClH)(C[6]O[6]O)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]2H){1|O<2>,2|O<1>}	C[6](CC[6a]ClH)(C[6]O[6]O)(N[6]C[6]C)(H){1|C<3>,1|O<1>}	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	120.0870	0.000	1	120.0870	0.000	1	120.0870	0.000	1	120.0870	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:3:1:	3:3:4:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]S)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]S)(CC[6a]CH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|H<1>,1|S<1>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	114.8930	0.000	1	114.8930	0.000	1	114.8930	0.000	1	114.8930	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:3:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(CCHH)	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(CCHH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C(N[6]C[6]2)(CCHH)(H)2	117.8360	0.000	1	117.8360	0.000	1	117.8360	0.000	1	117.3016	1.289	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:3:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(CCHH)	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(CCHH){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C(N[6]C[6]2)(CCHH)(H)2	115.7330	0.000	1	115.7330	0.000	1	116.6540	0.814	3	117.3016	1.289	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:3:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(CCHH)	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(CCHH){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C(N[6]C[6]2)(CH3)(H)2	117.1145	0.596	2	117.1145	0.355	2	116.6540	0.814	3	117.3016	1.289	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:3:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]C)(CNO)(H)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]O)(N[6]C[6]C)(CNO)(H){1|O<1>,4|C<3>}	C(N[6]C[6]2)(CCHH)(H)2	118.7100	0.000	1	118.7100	0.000	1	118.7100	0.000	1	117.3016	1.289	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:3:1:	3:4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-4:C-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCCH)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCCH)(COO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCCH){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C(N[6]C[6]2)(CCCH)(COO)(H)	118.7080	0.000	1	118.7080	0.000	1	118.7080	0.000	1	118.7080	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]2C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(CH3)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]2C)(C[6]C[6]O)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C(N[6]C[6]2)(H)3	119.0190	0.000	1	119.0190	0.000	1	119.0190	0.000	1	119.0190	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]CH)(C[6]N[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]CH)(C[6]N[6]H)(CH3){1|Fe<10>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]C)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	116.0820	0.000	1	116.0820	0.000	1	116.0820	0.000	1	118.2512	3.043	22	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(N[6]C[6]2)(H)3	118.5803	0.225	3	118.5803	0.051	3	118.3545	2.949	21	118.2512	3.043	22	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(N[6]C[6]2)(H)3	115.2220	0.000	1	115.2220	0.000	1	118.3545	2.949	21	118.2512	3.043	22	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(H)3	116.5620	0.000	1	117.5150	1.816	2	118.3545	2.949	21	118.2512	3.043	22	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(H)3	118.4680	0.000	1	117.5150	1.816	2	118.3545	2.949	21	118.2512	3.043	22	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H){1|O<1>,3|C<3>}	C(N[6]C[6]2)(H)3	119.1740	0.000	1	119.1740	0.000	1	118.3545	2.949	21	118.2512	3.043	22	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|S<2>,3|H<1>}	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C(N[6]C[6]2)(H)3	114.0130	0.000	1	114.0130	0.000	1	118.3545	2.949	21	118.2512	3.043	22	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C(N[6]C[6]2)(H)3	119.6440	0.000	1	119.6440	0.000	1	118.3545	2.949	21	118.2512	3.043	22	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C(N[6]C[6]2)(H)3	118.4140	0.000	1	118.4140	0.000	1	118.3545	2.949	21	118.2512	3.043	22	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]S)(CH3){1|N<3>,1|S<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|S<1>}	C(N[6]C[6]2)(H)3	118.2407	0.626	3	118.2407	0.391	3	118.3545	2.949	21	118.2512	3.043	22	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]S)(CH3){1|N<3>,1|S<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|S<1>}	C(N[6]C[6]2)(H)3	116.6950	0.000	1	116.6950	0.000	1	118.3545	2.949	21	118.2512	3.043	22	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	C(N[6]C[6]2)(H)3	120.2737	0.975	3	120.2737	0.950	3	118.3545	2.949	21	118.2512	3.043	22	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CO)(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(N[6]C[6]C)(CCHH)(H){1|N<3>,2|O<1>}	C(N[6]C[6]2)(H)3	120.6670	0.000	1	120.6670	0.000	1	118.3545	2.949	21	118.2512	3.043	22	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]FH)(N[6]C[6]C)(CC[6a]2O)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	C(N[6]C[6]2)(H)3	119.0810	0.000	1	119.0810	0.000	1	118.3545	2.949	21	118.2512	3.043	22	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]2O)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	C(N[6]C[6]2)(H)3	119.1050	0.000	1	119.1050	0.000	1	118.3545	2.949	21	118.2512	3.043	22	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|N<3>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(H)3	117.1150	0.000	1	117.1150	0.000	1	118.3545	2.949	21	118.2512	3.043	22	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.4340	0.000	1	115.4340	0.000	1	115.4340	0.000	1	117.3337	7.186	3	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CH3)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.1670	0.000	1	116.1670	0.000	1	116.1670	0.000	1	117.3337	7.186	3	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H)	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	C(N[6]C[6]2)(CCH)(H)2	120.4000	0.000	1	120.4000	0.000	1	120.4000	0.000	1	117.3337	7.186	3	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:3:4:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|S<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,2|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	120.0660	0.000	1	120.0660	0.000	1	118.5178	1.322	5	118.5178	1.322	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:3:4:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H){1|N<3>,1|O<1>,1|S<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	118.1295	1.456	2	118.1295	2.120	2	118.5178	1.322	5	118.5178	1.322	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:3:4:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|N<3>,1|O<1>,1|S<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	118.1320	0.414	2	118.1320	0.172	2	118.5178	1.322	5	118.5178	1.322	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:2:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:O-2:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]FH)(N[6]C[6]C)(CH3)(OC)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CO)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]C)(CH3)(OC){1|N<3>,2|O<1>}	C(N[6]C[6]2)(H)3	121.7960	0.000	1	121.7960	0.000	1	121.7960	0.000	1	121.7960	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:2:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:N[6]-3:C-4:O-2:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	117.6440	0.000	1	117.6440	0.000	1	117.6440	0.000	1	117.3885	0.131	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:2:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:N[6]-3:C-4:O-2:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH)	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C(N[6]C[6]2)(CCH)(H)2	117.1330	0.000	1	117.1330	0.000	1	117.1330	0.000	1	117.3885	0.131	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:3:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:C-3:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(COO)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(COO){1|C<3>,1|H<1>,1|O<1>}	C(N[6]C[6]2)(H)3	120.4810	0.000	1	120.4810	0.000	1	120.4810	0.000	1	120.4810	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:3:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:C-3:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CCH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6a]HH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CCH){1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	117.2190	0.000	1	117.2190	0.000	1	117.2190	0.000	1	117.2190	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:3:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:C-3:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CNO)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CNO){1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	116.8200	0.000	1	116.8200	0.000	1	116.8200	0.000	1	116.8200	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[5]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C(N[6]C[6]2)(H)3	118.8495	0.537	2	118.8495	0.288	2	119.0240	0.235	3	119.4718	0.563	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[5]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C(N[6]C[6]2)(H)3	119.3730	0.000	1	119.3730	0.000	1	119.0240	0.235	3	119.4718	0.563	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]N[6]O)(CH3)	C[6](C[6]C[6,6a]2O)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]2H)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]2O)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,2|O<1>,4|C<3>}	C(N[6]C[6]2)(H)3	119.7710	0.000	1	119.7710	0.000	1	120.1435	0.278	2	119.4718	0.563	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]N[6]O)(CH3)	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]FH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]2H)(C[6]N[6]O)(CH3){1|F<1>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]FH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C(N[6]C[6]2)(H)3	120.5160	0.000	1	120.5160	0.000	1	120.1435	0.278	2	119.4718	0.563	5	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:4:2:	3:3:3:1:	3:3:1:1:	C[6]-4:C-4:N[6]-2:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6]C[5a,6]C[6a]H)(CC[6a]HH)(N[6]N[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]N[6]C)(H)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[5a,6]C[6a]H)(CC[6a]HH)(N[6]N[6]){4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]N[6]C)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	116.8750	0.000	1	116.8750	0.000	1	116.8750	0.000	1	117.1425	0.143	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:4:2:	3:3:3:1:	3:3:1:1:	C[6]-4:C-4:N[6]-2:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(N[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]C)(H)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(N[6]N[6]){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]C)(H){1|N<2>,2|H<1>,3|C<3>}	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	117.4100	0.000	1	117.4100	0.000	1	117.4100	0.000	1	117.1425	0.143	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:4:2:	3:4:3:1:	3:3:1:1:	C[6]-4:C-4:N[6]-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(N[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(N[6]N[6]){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	119.0530	0.000	1	119.0530	0.000	1	119.0530	0.000	1	119.0530	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]HH)(CCHH)	C[6](N[6]C[6,6a]S)(N[6]C[5,6]C)(H)2	C(N[6]C[5,6]C[6])(CC[5a]HH)(H)2	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]HH)(CCHH){1|C<4>,1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]S)(N[6]C[5,6]C)(H)2{1|C<4>,3|C<3>}	C(N[6]C[5,6]C[6])(CC[5a]HH)(H)2	121.4090	0.000	1	121.4090	0.000	1	121.4090	0.000	1	119.3423	7.732	3	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	P[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2	C(N[6]P[6,6]C[6])(CCHH)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH){2|C<3>,2|P<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C(N[6]P[6,6]C[6])(CCHH)(H)2	116.1810	0.000	1	116.1810	0.000	1	118.3090	9.057	2	119.3423	7.732	3	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	P[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2	C(N[6]P[6,6]C[6])(CN[6]HH)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH){2|C<3>,2|P<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C(N[6]P[6,6]C[6])(CN[6]HH)(H)2	120.4370	0.000	1	120.4370	0.000	1	118.3090	9.057	2	119.3423	7.732	3	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:4:1:	P[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCCH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2	C(N[6]P[6,6]C[6])(CH3)2(H)	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCCH){2|C<3>,2|P<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C(N[6]P[6,6]C[6])(CH3)2(H)	117.7950	0.000	1	117.7950	0.000	1	117.7950	0.000	1	117.7950	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:2:1:	4:3:1:1:	C[6]-4:S[6]-4:C-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[3]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CC[3]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H)	C(C[3]C[3]O[3]H)(N[6]C[6]S[6])(H)2	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CC[3]HH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[3]C[3]O[3]H)(N[6]C[6]S[6])(H)2	118.6560	0.000	1	118.6560	0.000	1	118.6560	0.000	1	118.6560	0.000	1	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:3:4:1:	C[6]-4:P[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	119.7290	0.000	1	119.7290	0.000	1	119.4990	0.106	2	119.4990	0.106	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:3:4:1:	C[6]-4:P[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]OO)(CC[6a]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]OO)(CC[6a]CH){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	119.2690	0.000	1	119.2690	0.000	1	119.4990	0.106	2	119.4990	0.106	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CCHH)	C[6](N[6]C[5,6]C)(C[6]N[6]HH)(H)2	C(N[6]C[5,6]C[6])(CCHH)(H)2	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6]C)(C[6]N[6]HH)(H)2{1|Fe<8>,3|C<4>}	C(N[6]C[5,6]C[6])(CCHH)(H)2	116.1620	0.000	1	116.1620	0.000	1	116.1620	0.000	1	115.8375	0.211	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP2_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:4:1:1:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]P[6,6]C[6])(CCHH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH){1|C<4>,2|P<4>,3|H<1>}	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	C(N[6]P[6,6]C[6])(CCHH)(H)2	115.5130	0.000	1	115.5130	0.000	1	115.5130	0.000	1	115.8375	0.211	2	116.7794	4.356	856	117.0523	4.749	982
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	3:4:4:	4:4:3:1:	3:4:4:4:	N[6,6]-3:C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C-4:C-4:C-4:	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3)	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]N[6,6]C)(H)	C(N[6,6]C[3x6]N[6,6])(CH3)3	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3){2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]N[6,6]C)(H){1|C<3>,1|C<4>,4|H<1>}	C(N[6,6]C[3x6]N[6,6])(CH3)3	120.2108	1.344	4	120.2108	1.806	4	120.2108	1.806	4	120.2108	1.806	4	116.4461	6.626	34	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:3:4:	3:3:3:3:	3:1:1:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,1|N<2>,2|O<1>,3|C<3>,3|H<1>}	C(N[6,6]C[3x6]C[6,6])(H)3	122.5290	0.000	1	120.7620	6.245	2	120.7620	6.245	2	120.7620	6.245	2	116.4461	6.626	34	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:3:4:	3:3:3:3:	3:1:1:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C(N[6,6]C[3x6]C[6,6])(H)3	118.9950	0.000	1	120.7620	6.245	2	120.7620	6.245	2	120.7620	6.245	2	116.4461	6.626	34	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:	3:3:4:1:	3:3:1:1:	C[4,3x6]-4:C[3x6]-4:C-4:	N[6,6]-3:N[6]-3:C[5x6]-4:H-1:	N[6,6]-3:C[6a]-3:H-1:H-1:	N[6,6](C[4,3x6]C[4,3x6]C[4,4x6]H)(C[3x6]C[5x6]N[6]H)(CC[6a]HH)	C[3x6](N[6,6]C[4,3x6]C)(N[6]C[6,6]C[6a])(C[5x6]C[4x6]2N)(H)	C(N[6,6]C[4,3x6]C[3x6])(C[6a]C[6a]2)(H)2	N[6,6](C[4,3x6]C[4,3x6]C[4,4x6]H)(C[3x6]C[5x6]N[6]H)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>,3|C<4>}	C[3x6](N[6,6]C[4,3x6]C)(N[6]C[6,6]C[6a])(C[5x6]C[4x6]2N)(H){3|C<4>,3|H<1>,4|C<3>}	C(N[6,6]C[4,3x6]C[3x6])(C[6a]C[6a]2)(H)2	112.4520	1.287	2	112.4520	1.656	2	112.4520	1.656	2	112.4520	1.656	2	116.4461	6.626	34	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:	3:4:3:1:	3:4:1:1:	C[3x6]-4:C[3x6]-4:C-4:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]O[6]H)(CCHH)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H)	C(N[6,6]C[3x6]2)(CH3)(H)2	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]O[6]H)(CCHH){1|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(N[6,6]C[3x6]2)(CH3)(H)2	114.2360	0.000	1	114.2360	0.000	1	114.2360	0.000	1	114.2360	0.000	1	116.4461	6.626	34	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:	3:4:3:4:	3:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:C-4:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[4x6]O[6]H)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(CH3)	C(N[6,6]C[3x6]2)(H)3	N[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[4x6]O[6]H)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(N[6,6]C[3x6]2)(H)3	115.7120	0.000	1	115.7120	0.000	1	115.7120	0.000	1	115.7120	0.000	1	116.4461	6.626	34	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:	4:3:2:1:	3:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:	C[4x6]-4:N[6,6]-3:O[6]-2:H-1:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[4x6]O[6]H)(CH3)	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H)	C(N[6,6]C[3x6]2)(H)3	N[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[4x6]O[6]H)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H){3|C<4>,4|C<3>}	C(N[6,6]C[3x6]2)(H)3	111.2320	0.000	1	111.2320	0.000	1	111.2320	0.000	1	112.5633	1.421	3	116.4461	6.626	34	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:	4:3:2:1:	3:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[3,6,6]-4:N[6,6]-3:O[6,6]-2:H-1:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(CH3)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(N[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(CH3){1|C<3>,1|O<2>,3|C<4>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(N[6,6]C[6,6]C)(O[6,6]C[6,6])(H){4|C<4>,5|H<1>}	C(N[6,6]C[3x6]C[6,6])(H)3	113.2290	0.429	2	113.2290	0.184	2	113.2290	0.184	2	112.5633	1.421	3	116.4461	6.626	34	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:	4:3:2:1:	3:4:1:1:	C[3x6]-4:C[3x6]-4:C-4:	C[4x6]-4:N[6,6]-3:O[6]-2:H-1:	N[6,6]-3:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]O[6]H)(CCHH)	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H)	C(N[6,6]C[3x6]2)(CH3)(H)2	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]O[6]H)(CCHH){1|C<4>,3|C<3>,3|H<1>}	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H){1|H<1>,2|C<4>,4|C<3>}	C(N[6,6]C[3x6]2)(CH3)(H)2	114.1490	0.000	1	114.1490	0.000	1	114.1490	0.000	1	114.1490	0.000	1	116.4461	6.626	34	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[6,6]-4:C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6a]-3:H-1:H-1:	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(CC[6a]HH)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	114.0630	0.000	1	114.0630	0.000	1	114.0630	0.000	1	114.0630	0.000	1	116.4461	6.626	34	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:	4:3:3:1:	3:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	116.4980	0.000	1	116.2520	0.121	2	116.2520	0.121	2	116.2520	0.121	2	116.4461	6.626	34	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:	4:3:3:1:	3:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|H<1>,2|C<4>,3|C<3>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	116.0060	0.000	1	116.2520	0.121	2	116.2520	0.121	2	116.2520	0.121	2	116.4461	6.626	34	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:	4:3:3:4:	3:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CH)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(N[6,6]C[3x6]C[6,6])(H)3	116.7338	0.418	4	116.7338	0.175	4	116.7884	0.146	5	117.0032	0.394	6	116.4461	6.626	34	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:	4:3:3:4:	3:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C[6a]H)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C[6a]H)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C(N[6,6]C[3x6]C[6,6])(H)3	117.0070	0.000	1	117.0070	0.000	1	116.7884	0.146	5	117.0032	0.394	6	116.4461	6.626	34	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:	4:3:3:4:	3:1:1:1:	C[6,6]-4:C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CH3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CH3){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C(N[6,6]C[3x6]C[6,6])(H)3	118.0770	0.000	1	118.0770	0.000	1	118.0770	0.000	1	117.0032	0.394	6	116.4461	6.626	34	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CCHH)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CCHH){2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	118.0610	0.000	1	118.0610	0.000	1	116.5021	1.097	11	116.5021	1.097	11	116.4461	6.626	34	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|C<3>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	118.3540	0.000	1	117.0887	1.202	3	116.5021	1.097	11	116.5021	1.097	11	116.4461	6.626	34	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	116.4560	0.044	2	117.0887	1.202	3	116.5021	1.097	11	116.5021	1.097	11	116.4461	6.626	34	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	115.3940	0.109	2	116.0280	0.589	7	116.5021	1.097	11	116.5021	1.097	11	116.4461	6.626	34	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	116.2553	0.891	4	116.0280	0.589	7	116.5021	1.097	11	116.5021	1.097	11	116.4461	6.626	34	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[3x6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	116.3870	0.000	1	116.0280	0.589	7	116.5021	1.097	11	116.5021	1.097	11	116.4461	6.626	34	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6,6]-4:C[3x6]-3:C-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C-4:H-1:H-1:	N[6,6](C[6,6]C[3x6]HH)(C[3x6]C[6,6]2)(CCHH)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[6,6]C[3x6]HH)(C[3x6]C[6,6]2)(CCHH){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,4|H<1>}	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	114.6110	0.000	1	114.6110	0.000	1	114.6110	0.000	1	114.6110	0.000	1	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:3:2:1:	3:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[6,6]C[6,6a]O[6]H)2(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(O[6]C[6,6a])(H)	C(N[6,6]C[6,6]2)(H)3	N[6,6](C[6,6]C[6,6a]O[6]H)2(CH3){4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(O[6]C[6,6a])(H){1|O<2>,2|H<1>,4|C<3>}	C(N[6,6]C[6,6]2)(H)3	113.2060	1.571	2	113.2060	2.469	2	113.2060	2.469	2	113.2060	2.469	2	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6a]-3:C[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6a]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(H)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH){1|Br<1>,1|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	112.0510	0.000	1	112.0510	0.000	1	112.0510	0.000	1	112.3128	1.854	8	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6,6]-3:C[6a]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]HH){2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H){1|N<3>,2|H<1>,4|C<3>}	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	112.3010	2.046	4	112.3010	4.185	4	112.3010	4.185	4	112.3128	1.854	8	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	N[6,6]-3:C[6a]-3:H-1:H-1:	N[6,6](C[6,6]C[6]N[6]H)2(CC[6a]HH)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]C)(H)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[6]N[6]H)2(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	112.8760	0.000	1	112.8760	0.000	1	112.5025	0.279	2	112.3128	1.854	8	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	N[6,6]-3:C[6a]-3:H-1:H-1:	N[6,6](C[6,6]C[6]N[6]H)2(CC[6a]HH)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]H)(H)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[6]N[6]H)2(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|N<3>,3|H<1>}	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	112.1290	0.000	1	112.1290	0.000	1	112.5025	0.279	2	112.3128	1.854	8	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:	N[6]-3:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6a]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH)	C[6,6](N[6]C[6,6]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]C)(H)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH){1|C<2>,2|H<1>,4|C<3>}	C[6,6](N[6]C[6,6]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>,3|C<3>}	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	112.2420	0.000	1	112.2420	0.000	1	112.2420	0.000	1	112.3128	1.854	8	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:3:3:1:	3:3:4:1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6,6]-3:C[6a]-3:C-4:H-1:	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]CH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]C)(H)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(CH3)(H)	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]CH){2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]C)(H){1|N<3>,2|H<1>,4|C<3>}	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(CH3)(H)	112.8420	0.940	2	112.8420	0.884	2	112.8420	0.884	2	112.8420	0.884	2	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:3:4:1:	3:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H)	C(N[6,6]C[6,6]2)(H)3	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	C(N[6,6]C[6,6]2)(H)3	111.8790	0.286	2	112.2817	0.527	3	112.2817	0.527	3	112.2817	0.527	3	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:3:4:1:	3:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H)	C(N[6,6]C[6,6]2)(H)3	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H){2|H<1>,3|C<3>,3|C<4>}	C(N[6,6]C[6,6]2)(H)3	113.0870	0.000	1	112.2817	0.527	3	112.2817	0.527	3	112.2817	0.527	3	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:3:4:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6a]-3:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CC[6a]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CC[6a]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	113.8400	0.000	2	113.8400	0.000	2	113.8400	0.000	2	113.8230	0.001	3	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:3:4:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6a]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH)	C[6,6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH){1|C<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	113.7890	0.000	1	113.7890	0.000	1	113.7890	0.000	1	113.8230	0.001	3	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:3:4:1:	3:4:2:1:	C[6,6]-4:C[6,6]-4:C-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C-4:C-2:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCCH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C(N[6,6]C[6,6]2)(CH3)(CC)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCCH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C(N[6,6]C[6,6]2)(CH3)(CC)(H)	113.4210	0.000	1	113.4210	0.000	1	113.4210	0.000	1	113.4210	0.000	1	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:3:4:1:	3:4:3:1:	C[6,6]-4:C[6,6]-4:C-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C-4:C-3:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCCH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C(N[6,6]C[6,6]2)(CH3)(CCI)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCCH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C(N[6,6]C[6,6]2)(CH3)(CCI)(H)	114.6750	0.000	1	114.6750	0.000	1	114.6750	0.000	1	114.6750	0.000	1	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[6,6]2)(H)3	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]2H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>,3|C<4>}	C(N[6,6]C[6,6]2)(H)3	113.4320	0.000	1	113.4320	0.000	1	113.4320	0.000	1	113.3320	0.009	3	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)2(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[6,6]2)(H)3	N[6,6](C[6,6]C[6,6a]C[6]H)2(CH3){4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,4|C<3>}	C(N[6,6]C[6,6]2)(H)3	113.2820	0.059	2	113.2820	0.004	2	113.2820	0.004	2	113.3320	0.009	3	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:	N[6]-3:C[6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6a]-3:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH)	C[6,6](N[6]C[6,6]C[6a])(C[6]C[6,6a]BrH)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH){1|Br<1>,1|H<1>,5|C<3>}	C[6,6](N[6]C[6,6]C[6a])(C[6]C[6,6a]BrH)(N[6,6]C[6,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	113.8730	0.000	1	113.8730	0.000	1	113.8730	0.000	1	113.8730	0.000	1	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:4:3:1:	3:4:1:1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6a]-3:P[6]-4:N[6,6]-3:H-1:	N[6,6]-3:C-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]P[6]H)2(CCHH)	C[6,6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[6,6]2)(CHHN)(H)2	N[6,6](C[6,6]C[6,6a]P[6]H)2(CCHH){8|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(N[6,6]C[6,6]C)(H){1|P<4>,2|H<1>,8|C<3>}	C(N[6,6]C[6,6]2)(CHHN)(H)2	117.5270	0.847	2	117.5270	0.718	2	117.5270	0.718	2	117.5270	0.718	2	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:4:3:1:	3:4:4:3:	C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	N[6,6]-3:C-4:C-4:C-3:	N[6,6](C[6,6]C[6]2H)2(CC3)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C(N[6,6]C[6,6]2)(CH3)2(CNO)	N[6,6](C[6,6]C[6]2H)2(CC3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C(N[6,6]C[6,6]2)(CH3)2(CNO)	114.5950	0.000	1	114.5950	0.000	1	114.5950	0.000	1	114.5950	0.000	1	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:4:4:1:	3:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)(CH3)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C(N[6,6]C[6,6]2)(H)3	N[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)(CH3){1|O<2>,2|C<4>,2|F<1>,5|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	C(N[6,6]C[6,6]2)(H)3	111.6960	0.000	1	111.6960	0.000	1	113.2851	0.430	15	113.2851	0.430	15	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:4:4:1:	3:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[6,6]C[6]2H)2(CH3)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	C(N[6,6]C[6,6]2)(H)3	N[6,6](C[6,6]C[6]2H)2(CH3){2|C<4>,8|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,4|H<1>}	C(N[6,6]C[6,6]2)(H)3	113.3986	0.505	14	113.3986	0.255	14	113.2851	0.430	15	113.2851	0.430	15	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:4:4:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6a]-3:H-1:H-1:	N[6,6](C[6,6]C[6]2H)2(CC[6a]HH)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[6]2H)2(CC[6a]HH){1|C<3>,2|C<4>,7|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	114.5390	0.000	1	114.5390	0.000	1	112.6805	6.908	2	112.6805	6.908	2	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:4:4:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6a]-3:H-1:H-1:	N[6,6](C[6,6]C[6]2H)2(CC[6a]HH)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[6]2H)2(CC[6a]HH){1|C<3>,2|C<4>,7|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,3|H<1>}	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	110.8220	0.000	1	110.8220	0.000	1	112.6805	6.908	2	112.6805	6.908	2	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:4:4:1:	3:4:4:3:	C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C-4:C-4:C-3:	N[6,6](C[6,6]C[6]2H)2(CC3)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C(N[6,6]C[6,6]2)(CH3)2(CNO)	N[6,6](C[6,6]C[6]2H)2(CC3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,3|H<1>}	C(N[6,6]C[6,6]2)(CH3)2(CNO)	121.5190	0.000	1	121.5190	0.000	1	119.5957	7.650	3	119.5957	7.650	3	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:4:4:1:	3:4:4:3:	C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C-4:C-4:C-3:	N[6,6](C[6,6]C[6]2H)2(CC3)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	C(N[6,6]C[6,6]2)(CH3)2(CNO)	N[6,6](C[6,6]C[6]2H)2(CC3){2|C<4>,8|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,3|H<1>}	C(N[6,6]C[6,6]2)(CH3)2(CNO)	118.6340	3.123	2	118.6340	9.751	2	119.5957	7.650	3	119.5957	7.650	3	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	3:4:4:2:	3:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[6]-4:C[6]-4:O-2:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)(CH3)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]FF)(C[6]C[6]HH)(OH)	C(N[6,6]C[6,6]2)(H)3	N[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)(CH3){1|O<2>,2|C<4>,2|F<1>,5|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]FF)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,4|H<1>}	C(N[6,6]C[6,6]2)(H)3	114.3350	0.000	1	114.3350	0.000	1	114.3350	0.000	1	114.3350	0.000	1	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6,6]-4:P[3x6]-4:C-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[6,6]C[3x6]HH)(P[3x6]N[6,6]2N)(CH3)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]P[3x6]C)(H)2	C(N[6,6]C[6,6]P[3x6])(H)3	N[6,6](C[6,6]C[3x6]HH)(P[3x6]N[6,6]2N)(CH3){5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[6,6]P[3x6]C)(H)2{1|N<2>,2|N<3>,4|H<1>}	C(N[6,6]C[6,6]P[3x6])(H)3	113.7488	0.950	9	113.7488	0.902	9	113.7488	0.902	9	113.9556	0.825	12	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6,6]-4:P[3x6]-4:C-4:	P[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2B)(CH3)	C[6,6](P[3x6]C[6,6]2B)(N[6,6]P[3x6]C)(H)2	C(N[6,6]C[6,6]P[3x6])(H)3	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2B)(CH3){1|B<4>,4|C<4>}	C[6,6](P[3x6]C[6,6]2B)(N[6,6]P[3x6]C)(H)2{1|B<4>,2|N<3>,4|H<1>}	C(N[6,6]C[6,6]P[3x6])(H)3	114.5760	0.396	3	114.5760	0.157	3	114.5760	0.157	3	113.9556	0.825	12	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	115.4045	0.572	2	114.8492	1.787	12	114.8492	1.787	12	114.8492	1.787	12	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	110.8930	0.000	1	114.8492	1.787	12	114.8492	1.787	12	114.8492	1.787	12	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	115.0613	0.589	4	114.8492	1.787	12	114.8492	1.787	12	114.8492	1.787	12	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|C<4>,4|H<1>}	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	115.8070	0.000	1	114.8492	1.787	12	114.8492	1.787	12	114.8492	1.787	12	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|C<4>,5|H<1>}	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	115.7970	0.000	1	114.8492	1.787	12	114.8492	1.787	12	114.8492	1.787	12	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	114.9510	0.000	1	114.8492	1.787	12	114.8492	1.787	12	114.8492	1.787	12	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	114.8440	0.130	2	114.8492	1.787	12	114.8492	1.787	12	114.8492	1.787	12	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C[6a]H)(CH3)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C[6a]H)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C(N[6,6]C[3x6]C[6,6])(H)3	110.9660	0.000	1	110.9660	0.000	1	110.9660	0.000	1	111.5813	0.857	3	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[6,6]-4:C[3x6]-4:C-4:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CH3)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CH3){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	C(N[6,6]C[3x6]C[6,6])(H)3	112.6460	0.000	1	112.6460	0.000	1	112.6460	0.000	1	111.5813	0.857	3	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[6,6]-4:P[3,6,6]-4:C-4:	C[5,5,6,6]-4:C[5a]-3:N[6,6]-3:H-1:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[6,6]C[5,5,6,6]C[5a]H)(P[3,6,6]C[3,5,6,6]2W)(CH3)	C[6,6](C[5,5,6,6]C[5,5,6,6]2C)(C[5a]C[5a]O[5a])(N[6,6]P[3,6,6]C)(H)	C(N[6,6]P[3,6,6]C[6,6])(H)3	N[6,6](C[6,6]C[5,5,6,6]C[5a]H)(P[3,6,6]C[3,5,6,6]2W)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[5,5,6,6]C[5,5,6,6]2C)(C[5a]C[5a]O[5a])(N[6,6]P[3,6,6]C)(H){1|H<1>,1|W<6>,4|C<3>,4|C<4>}	C(N[6,6]P[3,6,6]C[6,6])(H)3	111.1320	0.000	1	111.1320	0.000	1	111.1320	0.000	1	111.5813	0.857	3	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[6,6]-4:C[3x6]-4:C-4:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	N[6,6]-3:C[6a]-3:H-1:H-1:	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H)	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	111.8750	0.000	1	111.8750	0.000	1	111.8750	0.000	1	111.8750	0.000	1	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	4:3:3:1:	3:4:2:1:	C[6,6]-4:C[6,6]-4:C-4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C-4:C-2:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCCH)	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]O)(H)	C(N[6,6]C[6,6]2)(CH3)(CC)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCCH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	C(N[6,6]C[6,6]2)(CH3)(CC)(H)	114.1040	0.000	1	114.1040	0.000	1	114.1040	0.000	1	114.1040	0.000	1	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	4:3:3:1:	3:4:3:1:	C[6,6]-4:C[6,6]-4:C-4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C-4:C-3:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCCH)	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]O)(H)	C(N[6,6]C[6,6]2)(CH3)(CCI)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCCH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	C(N[6,6]C[6,6]2)(CH3)(CCI)(H)	112.4410	0.000	1	112.4410	0.000	1	112.4410	0.000	1	112.4410	0.000	1	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[6,6]-3:C-4:H-1:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(CH3)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(CC[5a]HH)(H)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(CH3){1|C<3>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(CC[5a]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C(N[6,6]C[3x6]C[6,6])(H)3	110.9975	0.260	2	110.9975	0.067	2	110.8817	0.128	6	111.2649	1.135	7	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[6,6]-3:C-4:H-1:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CH)(CH3)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(CC[6a]HH)(H)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(CC[6a]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C(N[6,6]C[3x6]C[6,6])(H)3	110.8238	0.422	4	110.8238	0.178	4	110.8817	0.128	6	111.2649	1.135	7	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]2H)(CH3)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6,6]HO)(H)	C(N[6,6]C[6,6]2)(H)3	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]2H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6,6]HO)(H){1|H<1>,2|C<3>,2|C<4>}	C(N[6,6]C[6,6]2)(H)3	113.5640	0.000	1	113.5640	0.000	1	113.5640	0.000	1	111.2649	1.135	7	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6a]-3:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CC[6a]HH)	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CC[6a]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	111.6870	0.000	2	111.6870	0.000	2	111.6870	0.000	2	111.6870	0.000	2	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	4:3:4:1:	3:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[6,6]-3:C-4:H-1:	N[6,6]-3:C-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CCHH)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CCHH)(H)	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CCHH){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CCHH)(H){2|C<4>,5|H<1>}	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	114.1740	0.000	1	114.1740	0.000	1	114.1740	0.000	1	114.1740	0.000	1	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:N[6,6]-3:H-1:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[6,6]2)(H)3	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C(N[6,6]C[6,6]2)(H)3	112.8760	0.000	1	112.5077	0.102	3	112.5077	0.102	3	112.5077	0.102	3	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6,6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:N[6,6]-3:H-1:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[6,6]2)(H)3	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(N[6,6]C[6,6]2)(H)3	112.3235	0.022	2	112.5077	0.102	3	112.5077	0.102	3	112.5077	0.102	3	113.5396	3.691	92	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[3x6]	C	4:4:4:	4:4:3:2:	3:4:1:1:	C[3x6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:N[6]-3:O[6]-2:	N[6]-3:C-4:H-1:H-1:	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(CCHH)	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]C)(O[6]C[6])	C(N[6]C[3x6]C[6])(CCHH)(H)2	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(CCHH){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]C)(O[6]C[6]){1|O<1>,4|C<4>,6|H<1>}	C(N[6]C[3x6]C[6])(CCHH)(H)2	117.8060	0.000	1	117.8060	0.000	1	117.8060	0.000	1	117.0930	1.017	2	116.2100	2.847	3	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[3x6]	C	4:4:4:	4:4:3:2:	3:4:1:1:	C[3x6]-4:C[6]-4:C-4:	C[5,4x6]-4:C[6,6]-4:N[6]-3:O-2:	N[6]-3:C-4:H-1:H-1:	N[6](C[3x6]C[5,4x6]C[6,6]O)(C[6]C[6]HH)(CCHH)	C[3x6](C[5,4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]HH)(N[6]C[6]C)(OH)	C(N[6]C[3x6]C[6])(CCHH)(H)2	N[6](C[3x6]C[5,4x6]C[6,6]O)(C[6]C[6]HH)(CCHH){4|C<4>,4|H<1>}	C[3x6](C[5,4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]HH)(N[6]C[6]C)(OH){1|C<3>,5|C<4>,6|H<1>}	C(N[6]C[3x6]C[6])(CCHH)(H)2	116.3800	0.000	1	116.3800	0.000	1	116.3800	0.000	1	117.0930	1.017	2	116.2100	2.847	3	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[3x6]	C	4:4:4:	4:4:4:3:	3:4:1:1:	C[3x6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	N[6]-3:C-4:H-1:H-1:	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(CCHH)	C[3x6](C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)2(N[6]C[6]C)	C(N[6]C[3x6]C[6])(CCHH)(H)2	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(CCHH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)2(N[6]C[6]C){1|O<1>,4|C<4>,6|H<1>}	C(N[6]C[3x6]C[6])(CCHH)(H)2	114.4440	0.000	1	114.4440	0.000	1	114.4440	0.000	1	114.4440	0.000	1	116.2100	2.847	3	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	3:4:4:	3:2:2:4:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C-4:	N[6]-3:O[6,6]-2:O[6]-2:C-4:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(CCHH)	C[6,6](N[6]C[6,6a]C)(O[6,6]C[3x6])(O[6]C[6,6a])(CF3)	C(N[6]C[6,6a]C[6,6])(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[6,6](N[6]C[6,6a]C)(O[6,6]C[3x6])(O[6]C[6,6a])(CF3){5|C<3>}	C(N[6]C[6,6a]C[6,6])(CCHH)(H)2	117.1920	0.000	1	117.1920	0.000	1	117.1920	0.000	1	117.1920	0.000	1	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	3:4:4:	3:3:3:2:	3:4:1:1:	C[6,6a]-3:C[6,6]-4:C-4:	N[6]-3:C[6,6]-3:C[6]-3:O-2:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(CCHH)	C[6,6](N[6]C[6,6a]C)(C[6,6]N[6]2)(C[6]N[6]O)(OC)	C(N[6]C[6,6a]C[6,6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(CCHH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6,6](N[6]C[6,6a]C)(C[6,6]N[6]2)(C[6]N[6]O)(OC){2|C<4>,3|C<3>}	C(N[6]C[6,6a]C[6,6])(CH3)(H)2	118.4060	0.000	1	118.4060	0.000	1	118.4060	0.000	1	118.4060	0.000	1	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	3:4:4:	4:3:4:1:	3:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C(N[6]C[6,6a]C[6,6])(H)3	120.0110	0.000	1	120.0110	0.000	1	120.0110	0.000	1	120.0110	0.000	1	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	3:4:4:	4:3:4:1:	3:2:1:1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	N[6]-3:C-2:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CCHH)	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	C(N[6]C[6,6a]C[6,6])(CC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CCHH){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C(N[6]C[6,6a]C[6,6])(CC)(H)2	117.1440	0.000	1	117.1440	0.000	1	117.1440	0.000	1	117.1440	0.000	1	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:2:4:	4:4:3:2:	3:1:1:1:	C[6,6]-4:N[6]-2:C-4:	C[6,6]-4:C[6]-4:N[6]-3:O-2:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]O)(N[6]C[6])(CH3)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]N[6]C)(OH)	C(N[6]C[6,6]N[6])(H)3	N[6](C[6,6]C[6,6]C[6]O)(N[6]C[6])(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]N[6]C)(OH){1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6,6]N[6])(H)3	116.5420	0.000	1	116.5420	0.000	1	116.5420	0.000	1	116.5420	0.000	1	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6]C)2(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6]C)2(H){1|H<1>,2|N<3>,2|O<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	116.2490	0.000	1	116.2490	0.000	1	116.2490	0.000	1	116.2490	0.000	1	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CC[6a]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CC[6a]HH){1|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	112.5110	0.000	1	112.5110	0.000	1	112.5110	0.000	1	112.5110	0.000	1	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[3x6]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C(N[6]C[6,6]C[6])(H)3	109.5550	0.000	1	109.5550	0.000	1	110.8435	3.320	2	112.4469	3.432	16	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[3x6]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[5,3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6,6]C[6])(H)3	112.1320	0.000	1	112.1320	0.000	1	110.8435	3.320	2	112.4469	3.432	16	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C(N[6]C[6,6]C[6])(H)3	111.6810	0.277	2	111.6810	0.077	2	111.6810	0.077	2	112.4469	3.432	16	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6,6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3){3|C<3>,4|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6]C[6])(H)3	110.5085	0.544	2	110.5085	0.296	2	110.5085	0.296	2	112.4469	3.432	16	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6,6]C[6])(H)3	111.0300	0.000	1	111.5253	0.203	3	111.5253	0.203	3	112.4469	3.432	16	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6,6]C[6])(H)3	111.7730	0.195	2	111.5253	0.203	3	111.5253	0.203	3	112.4469	3.432	16	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]CH)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]CH)(CH3){2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C(N[6]C[6,6]C[6])(H)3	116.6830	0.000	1	116.6830	0.000	1	115.6750	2.032	2	112.4469	3.432	16	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(CH3){1|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C(N[6]C[6,6]C[6])(H)3	114.6670	0.000	1	114.6670	0.000	1	115.6750	2.032	2	112.4469	3.432	16	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	N[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]N[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3)	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]N[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C(N[6]C[6,6]C[6])(H)3	113.6450	1.075	2	113.6450	1.155	2	113.6450	1.155	2	112.4469	3.432	16	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	N[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C(N[6]C[6,6]C[6])(H)3	113.2893	0.994	3	113.2893	0.988	3	113.2893	0.988	3	112.4469	3.432	16	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[5a,6,6]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	112.0130	0.000	1	112.0130	0.000	1	112.0130	0.000	1	112.4240	1.124	4	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	113.8780	0.000	1	112.6295	3.118	2	112.6295	3.118	2	112.4240	1.124	4	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	111.3810	0.000	1	112.6295	3.118	2	112.6295	3.118	2	112.4240	1.124	4	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	112.4240	0.000	1	112.4240	0.000	1	112.4240	0.000	1	112.4240	1.124	4	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	3:4:3:3:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6]-3:N[6]-3:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(CCHH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]Cl)(N[6]C[6]C)	C(N[6]C[6,6]C[6])(CHHO)(H)2	N[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(CCHH){1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]Cl)(N[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C(N[6]C[6,6]C[6])(CHHO)(H)2	113.6930	0.000	1	113.6930	0.000	1	113.6930	0.000	1	113.6930	0.000	1	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:2:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CC[6a]HH)	C[6,6](C[6,6]C[6]2H)(O[6]C[5,6])(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CC[6a]HH){1|H<1>,2|C<4>,5|C<3>}	C[6,6](C[6,6]C[6]2H)(O[6]C[5,6])(N[6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	111.7815	0.080	2	111.7815	0.006	2	112.6753	1.893	4	112.6753	1.893	4	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:2:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	112.4560	0.000	1	113.5690	2.478	2	112.6753	1.893	4	112.6753	1.893	4	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:2:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	114.6820	0.000	1	113.5690	2.478	2	112.6753	1.893	4	112.6753	1.893	4	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:3:2:4:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6]C)(O[6]C[6])(CH3)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6]C)(O[6]C[6])(CH3){3|C<4>,4|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	114.0095	0.754	2	114.0095	0.569	2	114.0095	0.569	2	114.0095	0.569	2	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[4x6]-4:N[6]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[4x6]N[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[4x6]C[6,6a]C[4x6]C[6])(N[6]C[6,6a]H)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[4x6]N[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[4x6]C[6,6a]C[4x6]C[6])(N[6]C[6,6a]H)(N[6]C[6]C)(H){3|C<4>,4|C<3>,4|H<1>}	C(N[6]C[6,6]C[6])(H)3	111.9610	2.001	2	111.9610	4.004	2	111.9610	4.004	2	111.9610	4.004	2	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:N[6]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[3x6]N[6]H)(C[6]C[6,6]HH)(CC[6a]HH)	C[6,6](C[3x6]C[3x6]C[6,6]N)(N[6]C[6,6]C[6a])(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[3x6]N[6]H)(C[6]C[6,6]HH)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]N)(N[6]C[6,6]C[6a])(N[6]C[6]C)(H){3|C<4>,4|C<3>,4|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	112.3760	0.000	1	112.3760	0.000	1	112.3760	0.000	1	112.2710	0.022	2	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CC[6a]HH){1|N<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	112.1660	0.000	1	112.1660	0.000	1	112.1660	0.000	1	112.2710	0.022	2	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C(N[6]C[6,6]C[6])(CCHH)(H)2	115.6482	0.723	4	115.6482	0.522	4	115.6482	0.522	4	115.1566	0.691	10	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:C[6,6]-3:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(CC[5a]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C(N[6]C[6,6]C[6])(CC[5a]HH)(H)2	116.3420	0.000	1	114.8288	0.608	6	114.8288	0.608	6	115.1566	0.691	10	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:3:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:C[6,6]-3:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(CC[5a]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C(N[6]C[6,6]C[6])(CC[5a]HH)(H)2	114.5262	0.271	5	114.8288	0.608	6	114.8288	0.608	6	115.1566	0.691	10	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6,6]C[6])(H)3	110.9390	0.000	1	110.9390	0.000	1	112.8824	0.523	26	112.8360	1.366	49	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C(N[6]C[6,6]C[6])(H)3	112.6920	0.000	1	113.1183	0.701	10	112.8824	0.523	26	112.8360	1.366	49	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6,6]C[6])(H)3	113.1657	0.874	9	113.1183	0.701	10	112.8824	0.523	26	112.8360	1.366	49	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C(N[6]C[6,6]C[6])(H)3	112.8292	0.335	5	112.8547	0.173	15	112.8824	0.523	26	112.8360	1.366	49	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6,6]C[6])(H)3	112.8675	0.468	10	112.8547	0.173	15	112.8824	0.523	26	112.8360	1.366	49	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[4,4x6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[4,4x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[4,4x6]C[5,4x6]C[4,6]O[4,6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[4,4x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[4,4x6]C[5,4x6]C[4,6]O[4,6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C(N[6]C[6,6]C[6])(H)3	112.2660	0.000	1	112.2660	0.000	1	112.2660	0.000	1	112.8360	1.366	49	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C(N[6]C[6,6]C[6])(H)3	112.8670	0.000	1	112.0580	0.862	4	112.0580	0.862	4	112.8360	1.366	49	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C(N[6]C[6,6]C[6])(H)3	111.7883	0.926	3	112.0580	0.862	4	112.0580	0.862	4	112.8360	1.366	49	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[5x6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,4|C<4>,6|H<1>}	C(N[6]C[6,6]C[6])(H)3	113.0405	0.158	2	112.9366	0.096	7	112.9366	0.096	7	112.8360	1.366	49	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[5x6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){3|C<3>,3|C<4>,5|H<1>}	C(N[6]C[6,6]C[6])(H)3	112.8950	0.361	5	112.9366	0.096	7	112.9366	0.096	7	112.8360	1.366	49	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CH3)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CH3){3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){2|H<1>,5|C<3>}	C(N[6]C[6,6]C[6])(H)3	113.0910	0.000	1	113.0910	0.000	1	112.3887	0.607	10	112.8360	1.366	49	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,3|C<3>}	C(N[6]C[6,6]C[6])(H)3	112.5490	0.000	1	112.5490	0.000	1	112.3887	0.607	10	112.8360	1.366	49	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C(N[6]C[6,6]C[6])(H)3	112.5180	0.000	1	112.9485	0.368	4	112.3887	0.607	10	112.8360	1.366	49	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){3|H<1>,4|C<3>}	C(N[6]C[6,6]C[6])(H)3	113.0920	0.654	3	112.9485	0.368	4	112.3887	0.607	10	112.8360	1.366	49	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C(N[6]C[6,6]C[6])(H)3	111.8060	0.164	2	111.8060	0.027	2	112.3887	0.607	10	112.8360	1.366	49	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CH3)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C(N[6]C[6,6]C[6])(H)3	111.4205	0.076	2	111.4205	0.006	2	112.3887	0.607	10	112.8360	1.366	49	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	N[6,6]-4:Ga[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]N[6,6]Ga[6]H)(C[6]N[6]HH)(CH3)	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]N[6,6]Ga[6]H)(C[6]N[6]HH)(CH3){1|Ga<4>,1|N<4>,5|C<4>}	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H){1|N<3>,4|H<1>,5|C<4>}	C(N[6]C[6,6]C[6])(H)3	119.0790	0.000	1	119.0790	0.000	1	119.0790	0.000	1	112.8360	1.366	49	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCHH)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(CCH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCHH){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C(N[6]C[6,6]C[6])(CCH)(H)2	112.8105	0.507	2	112.8105	0.257	2	112.8105	0.257	2	113.7694	3.917	8	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(N[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	110.8920	0.000	1	110.8920	0.000	1	111.6900	1.274	2	113.7694	3.917	8	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,2|C<4>,7|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	112.4880	0.000	1	112.4880	0.000	1	111.6900	1.274	2	113.7694	3.917	8	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:C[6,6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2H)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH){1|H<1>,4|C<4>,5|C<3>}	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2H)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	114.5530	0.000	1	114.5530	0.000	1	114.5530	0.000	1	113.7694	3.917	8	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6,6]-4:S[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(S[6]N[6]OO)(CC[6a]HH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]S[6]C)(H)	C(N[6]C[6,6]S[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]H)(S[6]N[6]OO)(CC[6a]HH){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]S[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	C(N[6]C[6,6]S[6])(C[6a]C[6a]2)(H)2	115.5337	1.651	3	115.5337	2.725	3	115.5337	2.725	3	113.7694	3.917	8	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:3:3:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]2H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)2(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]2H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<4>,8|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)2(H)	114.9430	0.550	4	114.9430	0.302	4	114.9430	0.302	4	114.9430	0.302	4	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:3:4:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:C-4:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	112.6100	0.000	1	112.6100	0.000	1	112.6100	0.000	1	112.6100	0.000	1	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[3]-4:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(C[3]C[3]2H)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C(N[6]C[6,6]C[6])(C[3]C[3]2H)(H)2	112.4520	0.000	1	111.7830	0.895	2	113.1000	3.105	4	114.0002	5.402	6	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[3]-4:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(C[3]C[3]2H)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	C(N[6]C[6,6]C[6])(C[3]C[3]2H)(H)2	111.1140	0.000	1	111.7830	0.895	2	113.1000	3.105	4	114.0002	5.402	6	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[3]-4:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(C[3]C[3]2H)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C(N[6]C[6,6]C[6])(C[3]C[3]2H)(H)2	114.4170	1.218	2	114.4170	1.483	2	113.1000	3.105	4	114.0002	5.402	6	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){1|C<3>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C(N[6]C[6,6]C[6])(CCHH)(H)2	113.8040	0.000	1	113.8040	0.000	1	115.8005	7.972	2	114.0002	5.402	6	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]C)(H){4|C<4>,6|H<1>}	C(N[6]C[6,6]C[6])(CCHH)(H)2	117.7970	0.000	1	117.7970	0.000	1	115.8005	7.972	2	114.0002	5.402	6	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:2:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:C-2:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(CC)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CC[6a]HH){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(CC){4|C<4>,6|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	112.9200	0.000	1	112.9200	0.000	1	112.9200	0.000	1	112.9200	0.000	1	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:2:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:N[6]-3:O-2:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(OH)	C(N[6]C[6,6]C[6])(CCHH)(H)2	N[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH){4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(OH){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C(N[6]C[6,6]C[6])(CCHH)(H)2	116.7990	0.000	1	116.7990	0.000	1	116.7990	0.000	1	116.7990	0.000	1	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6,6]	C	4:4:4:	4:4:3:4:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:C-4:	N[6]-3:C-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)(CH3)	C(N[6]C[6,6]C[6])(CCH)(H)2	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)(CH3){3|C<4>,7|H<1>}	C(N[6]C[6,6]C[6])(CCH)(H)2	113.9430	0.989	2	113.9430	0.977	2	113.9430	0.977	2	113.9430	0.977	2	113.4371	3.438	120	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	2:4:4:	4:3:1:1:	3:4:4:4:	Ge[6]-2:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](Ge[6]C[5,6])(C[6]C[6]HH)(CC3)	C[6](C[6]N[5,6]HH)(N[6]Ge[6]C)(H)2	C(N[6]Ge[6]C[6])(CH3)3	N[6](Ge[6]C[5,6])(C[6]C[6]HH)(CC3){2|H<1>,2|N<3>}	C[6](C[6]N[5,6]HH)(N[6]Ge[6]C)(H)2{2|C<3>}	C(N[6]Ge[6]C[6])(CH3)3	114.8535	0.708	2	114.8535	0.501	2	114.8535	0.501	2	114.8535	0.501	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:2:1:1:	3:1:1:1:	N[6,6a]-3:C[6]-4:C-4:	N[6]-3:O[6]-2:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3)	C[6](N[6]N[6,6a]C)(O[6]C[6,6a])(H)2	C(N[6]N[6,6a]C[6])(H)3	N[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3){1|H<1>,3|C<3>}	C[6](N[6]N[6,6a]C)(O[6]C[6,6a])(H)2{3|C<3>}	C(N[6]N[6,6a]C[6])(H)3	113.7750	0.000	1	113.7750	0.000	1	113.7750	0.000	1	113.7750	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:2:1:1:	3:3:1:1:	C[5a,6]-3:C[6]-4:C-4:	N[6]-3:O[6]-2:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH)	C[6](N[6]C[5a,6]C)(O[6]C[6])(H)2	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH){1|C<4>,1|N<2>,2|C<3>}	C[6](N[6]C[5a,6]C)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>}	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	113.1440	0.092	3	113.1440	0.008	3	113.1440	0.008	3	113.1440	0.008	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:1:1:1:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CH3)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CH3){1|C<3>,3|C<4>}	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>}	C(N[6]C[6,6]C[6])(H)3	117.1780	0.000	1	117.1780	0.000	1	117.1780	0.000	1	113.4546	3.471	7	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	114.1470	0.000	1	114.1470	0.000	1	112.8340	0.930	6	113.4546	3.471	7	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(H)2	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3){5|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(H)2{1|O<2>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	112.1645	0.445	2	112.1645	0.198	2	112.8340	0.930	6	113.4546	3.471	7	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	113.3695	0.408	2	112.8427	0.916	3	112.8340	0.930	6	113.4546	3.471	7	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|O<2>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	111.7890	0.000	1	112.8427	0.916	3	112.8340	0.930	6	113.4546	3.471	7	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(H)2	C(N[6]C[6,6a]C[6])(COO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(H)2{2|C<3>}	C(N[6]C[6,6a]C[6])(COO)(H)2	114.7710	0.000	1	114.7710	0.000	1	114.7710	0.000	1	114.9543	0.143	4	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6]O[6]C)(H)2	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]O[6]C)(H)2{2|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	114.6210	0.000	1	114.6210	0.000	1	114.6210	0.000	1	114.9543	0.143	4	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	C[6](N[6]C[6,6a]C)(N[6]S[6]C)(H)2	C(N[6]C[6,6a]C[6])(COO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	C(N[6]C[6,6a]C[6])(COO)(H)2	115.4870	0.000	1	115.4870	0.000	1	115.4870	0.000	1	114.9543	0.143	4	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:3:1:1:	N[5,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)	C[6](N[6]N[5,6]C)(C[6]C[6]H)(H)2	C(N[6]N[5,6]C[6])(CCH)(H)2	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]N[5,6]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(N[6]N[5,6]C[6])(CCH)(H)2	114.9380	0.000	1	114.9380	0.000	1	114.9380	0.000	1	114.9543	0.143	4	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]3)	C[6](C[6]C[5a,6]C)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)3(N[6]C[6]2)	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]3){3|C<3>}	C[6](C[6]C[5a,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)3(N[6]C[6]2)	117.3310	0.000	1	117.3310	0.000	1	117.3310	0.000	1	117.3310	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:4:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CCHH){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(CCHH)(H)2	115.0930	0.000	1	115.0930	0.000	1	115.0930	0.000	1	115.1860	0.108	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:4:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:P-4:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C[6](N[6]C[6,6a]C)2(H)2	C(N[6]C[6,6a]C[6])(PC[6a]2Ir)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)2(H)2{3|C<3>}	C(N[6]C[6,6a]C[6])(PC[6a]2Ir)(H)2	114.9140	0.000	1	114.9140	0.000	1	115.2325	0.203	2	115.1860	0.108	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:1:1:	3:4:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:P-4:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C[6](N[6]C[6,6a]C)2(H)2	C(N[6]C[6,6a]C[6])(PC[6a]2Rh)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)2(H)2{3|C<3>}	C(N[6]C[6,6a]C[6])(PC[6a]2Rh)(H)2	115.5510	0.000	1	115.5510	0.000	1	115.2325	0.203	2	115.1860	0.108	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:2:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CN)(H)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CN)(H){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	114.7660	0.000	1	114.7660	0.000	1	114.7660	0.000	1	113.7423	0.840	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:2:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HO)(CH3)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(OC)(H)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HO)(CH3){5|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(OC)(H){1|O<2>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	113.2305	0.330	2	113.2305	0.109	2	113.2305	0.109	2	113.7423	0.840	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:2:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:O-2:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(OH)(H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(OH)(H){1|H<1>,2|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	114.3020	0.000	1	114.3020	0.000	1	114.3020	0.000	1	114.3020	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:2:1:	3:3:4:1:	C[5,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:O-2:H-1:	N[6]-3:C[6a]-3:C-4:H-1:	N[6](C[5,6]C[5,6]N[5])(C[6]C[6]HO)(CC[6a]CH)	C[6](N[6]C[5,6]C)(C[6]N[6]O)(OH)(H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[5,6]C[5,6]N[5])(C[6]C[6]HO)(CC[6a]CH){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](N[6]C[5,6]C)(C[6]N[6]O)(OH)(H){1|C<3>,1|C<4>,1|N<3>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	120.6490	0.000	1	120.6490	0.000	1	120.6490	0.000	1	120.6490	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:3:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CH3)	C[6](N[5,6]C[5,6]O[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](N[5,6]C[5,6]O[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	114.6430	0.000	1	114.6430	0.000	1	114.6430	0.000	1	115.4405	1.272	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:3:1:	3:1:1:1:	C[6]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CC[6a]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CC[6a]C)(H){1|O<1>,2|C<3>}	C(N[6]C[6]2)(H)3	116.2380	0.000	1	116.2380	0.000	1	116.2380	0.000	1	115.4405	1.272	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:3:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[5a]-3:N[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]C)(C[6]N[6]O)(H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]C)(C[6]N[6]O)(H){1|N<3>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	115.1973	0.433	3	115.1973	0.188	3	115.1973	0.188	3	114.4135	2.583	4	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:3:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	N[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH)	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H)	C(N[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH){1|C<4>,1|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C(N[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	112.0620	0.000	1	112.0620	0.000	1	112.0620	0.000	1	114.4135	2.583	4	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:3:1:	3:4:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH){2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	117.2825	0.798	2	117.2825	0.637	2	117.2825	0.637	2	117.2825	0.637	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H){1|O<2>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	114.8320	0.000	1	114.8320	0.000	1	113.8680	1.859	2	114.4518	1.074	4	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CCHH)(H)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CCHH)(H){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	112.9040	0.000	1	112.9040	0.000	1	113.8680	1.859	2	114.4518	1.074	4	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)(H)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>}	C(N[6]C[6,6a]C[6])(H)3	115.0355	0.021	2	115.0355	0.000	2	115.0355	0.000	2	114.4518	1.074	4	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:P-4:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(PO3)(H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(CC[6a]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(PO3)(H){2|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	116.5140	0.000	1	116.5140	0.000	1	116.5140	0.000	1	115.6211	7.427	7	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	111.5960	0.000	1	111.5960	0.000	1	111.7090	0.026	2	115.6211	7.427	7	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:3:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	111.8220	0.000	1	111.8220	0.000	1	111.7090	0.026	2	115.6211	7.427	7	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	117.3540	0.610	4	117.3540	0.373	4	117.3540	0.373	4	115.6211	7.427	7	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:1:	3:4:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H)	C(N[6]C[6,6a]C[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H){1|C<4>,2|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	119.0920	0.000	1	119.0920	0.000	1	119.0920	0.000	1	119.0920	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:4:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	C[6](N[6]C[6,6a]C)2(CCHH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)2(CCHH)(CH3){3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	116.8450	0.164	2	116.8450	0.027	2	116.6490	0.129	3	116.6490	0.129	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:3:4:4:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	C[6](N[6]C[6,6a]C)2(CCHH)2	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)2(CCHH)2{3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	116.2570	0.000	1	116.2570	0.000	1	116.6490	0.129	3	116.6490	0.129	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:1:1:1:	C[5a,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CH3)	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[5a,6]C[6])(H)3	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(N[6]C[5a,6]C[6])(H)3	115.4030	0.000	1	115.4030	0.000	1	115.4030	0.000	1	112.9027	8.509	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:1:1:1:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(CH3)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(N[6]C[6,6]C[6])(H)3	109.6980	0.000	1	109.6980	0.000	1	109.6980	0.000	1	112.9027	8.509	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C(N[6]C[6,6a]C[6])(H)3	113.6070	0.000	1	113.6070	0.000	1	113.6070	0.000	1	112.9027	8.509	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:3:1:1:	C[5a,6]-3:C[6]-4:C-4:	N[6]-3:C[6,6]-4:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CC[6a]HH)	C[6](N[6]C[5a,6]C)(C[6,6]C[6]3)(H)2	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CC[6a]HH){1|C<4>,1|N<2>,4|C<3>}	C[6](N[6]C[5a,6]C)(C[6,6]C[6]3)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	115.5713	0.670	3	115.5713	0.448	3	115.5713	0.448	3	114.6940	4.122	7	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:3:1:1:	C[5a,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	N[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	112.2380	0.000	1	112.2380	0.000	1	112.0905	0.044	2	114.6940	4.122	7	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:3:1:1:	C[5a,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	N[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	111.9430	0.000	1	111.9430	0.000	1	112.0905	0.044	2	114.6940	4.122	7	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH){2|H<1>,4|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	114.4630	0.000	1	114.4630	0.000	1	114.4630	0.000	1	114.6940	4.122	7	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){2|H<1>,4|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C(N[6]C[6,6]C[6])2(H)2	117.5000	0.000	1	117.5000	0.000	1	117.5000	0.000	1	114.6940	4.122	7	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	N[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCHH){3|H<1>,4|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6,6]C[6])(CCHH)(H)2	117.0350	0.000	1	117.0350	0.000	1	117.0350	0.000	1	114.5233	4.741	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(CCHH)(H)2	113.2675	0.139	2	113.2675	0.019	2	113.2675	0.019	2	114.5233	4.741	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	3:4:3:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[3]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]N[6]H)(CH3)	C[6](N[6]C[6,6a]C)(C[3]C[3]2H)(N[6]C[6]N)(H)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]N[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[3]C[3]2H)(N[6]C[6]N)(H){1|O<1>,3|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(H)3	115.1840	0.000	1	115.1840	0.000	1	115.1840	0.000	1	115.1840	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	113.1738	1.099	5	113.5760	1.937	6	113.4474	1.730	7	113.1874	1.701	11	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(H)3	115.5870	0.000	1	113.5760	1.937	6	113.4474	1.730	7	113.1874	1.701	11	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)(H)2	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	112.6760	0.000	1	112.6760	0.000	1	113.4474	1.730	7	113.1874	1.701	11	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3)	C[6](C[6]N[6,6]HH)(N[6]C[6,6a]C)(H)2	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]N[6,6]HH)(N[6]C[6,6a]C)(H)2{1|C<4>,2|C<3>}	C(N[6]C[6,6a]C[6])(H)3	112.4560	0.000	1	112.4560	0.000	1	113.1290	0.906	2	113.1874	1.701	11	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6a]C)(H)2	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(CH3){3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6,6a]C)(H)2{3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	113.8020	0.000	1	113.8020	0.000	1	113.1290	0.906	2	113.1874	1.701	11	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:1:1:1:	O[5,6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](O[5,6]In[5,5,6,6]Ga[5])(C[6]C[6]HH)(CH3)	C[6](C[6]N[5,6]HH)(N[6]O[5,6]C)(H)2	C(N[6]O[5,6]C[6])(H)3	N[6](O[5,6]In[5,5,6,6]Ga[5])(C[6]C[6]HH)(CH3){1|O<2>,1|O<3>,2|H<1>,2|N<4>,3|C<4>}	C[6](C[6]N[5,6]HH)(N[6]O[5,6]C)(H)2{1|Ga<4>,1|In<5>,1|C<4>,1|O<2>}	C(N[6]O[5,6]C[6])(H)3	112.3355	1.947	2	112.3355	3.790	2	112.3355	3.790	2	113.1874	1.701	11	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[5a,6]-3:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CC[6a]HH)	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]C)(H)2	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CC[6a]HH){1|C<4>,1|N<2>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]C)(H)2{1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	117.2870	0.000	1	117.2870	0.000	1	117.2870	0.000	1	115.5655	5.927	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:3:1:1:	N[5a,6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCHH)	C[6](C[6]C[5,6]C[6]H)(N[6]N[5a,6]C)(H)2	C(N[6]N[5a,6]C[6])(CCH)(H)2	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]C[6]H)(N[6]N[5a,6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	C(N[6]N[5a,6]C[6])(CCH)(H)2	113.8440	0.000	1	113.8440	0.000	1	113.8440	0.000	1	115.5655	5.927	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[6,6a]-3:C[6]-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	N[6]-3:P-4:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C[6](N[6]C[6,6a]RuC)(N[6]C[6,6a]C)(H)2	C(N[6]C[6,6a]C[6])(PC[6]2Ru)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]RuC)(N[6]C[6,6a]C)(H)2{3|C<3>}	C(N[6]C[6,6a]C[6])(PC[6]2Ru)(H)2	119.8640	0.000	1	119.8640	0.000	1	119.8640	0.000	1	118.6328	1.286	6	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(N[6]C[6]2)(CCHH)(H)2	118.8638	0.136	4	118.8638	0.019	4	118.3866	1.152	5	118.6328	1.286	6	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C(N[6]C[6]2)(CCHH)(H)2	116.4780	0.000	1	116.4780	0.000	1	118.3866	1.152	5	118.6328	1.286	6	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[3]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[3]HH)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	C(C[3]C[3]O[3]H)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[3]HH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C(C[3]C[3]O[3]H)(N[6]C[6]2)(H)2	115.7980	0.000	1	115.7980	0.000	1	115.7980	0.000	1	115.7980	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:4:1:	3:1:1:1:	N[6,6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)	C[6](C[6]C[6a]O[6]H)(N[6]N[6,6]C)(CH3)(H)	C(N[6]N[6,6]C[6])(H)3	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3){1|C<2>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]N[6,6]C)(CH3)(H){2|C<3>,2|C<4>}	C(N[6]N[6,6]C[6])(H)3	114.1860	1.109	3	114.1860	1.230	3	114.1860	1.230	3	114.1860	1.230	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:4:4:	3:4:1:1:	C[6,6a]-3:C[6]-4:C-4:	Si[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]Si[6]CC)(CCHH)	C[6](Si[6]Si[5]N[6]Cl)(N[6]C[6,6a]C)(CH3)2	C(N[6]C[6,6a]C[6])(CC3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]Si[6]CC)(CCHH){1|Cl<1>,1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](Si[6]Si[5]N[6]Cl)(N[6]C[6,6a]C)(CH3)2{1|Cl<1>,1|C<4>,2|C<3>,2|N<3>}	C(N[6]C[6,6a]C[6])(CC3)(H)2	118.8690	0.000	1	118.8690	0.000	1	118.8690	0.000	1	118.8690	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	3:4:4:	4:3:4:4:	3:4:4:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]C[5]C[6])(C[6]C[6]CC)(CCCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[5]C[6])(C[6]C[6]CC)(CCCH){1|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|C<3>,2|C<4>}	C(N[6]C[6]2)(CH3)2(H)	114.9850	0.000	1	114.9850	0.000	1	114.9850	0.000	1	114.9850	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:2:4:	3:3:2:1:	3:1:1:1:	C[6]-4:O[6]-2:C-4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]O[6]H)(O[6]C[6])(CH3)	C[6](C[6a]C[6a]2)(N[6]O[6]C)(O[6]C[6])(H)	C(N[6]C[6]O[6])(H)3	N[6](C[6]C[6a]O[6]H)(O[6]C[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]O[6]C)(O[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	C(N[6]C[6]O[6])(H)3	112.0595	0.626	2	112.0595	0.392	2	112.0595	0.392	2	112.0595	0.392	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:2:4:	3:3:3:1:	3:1:1:1:	C[6]-4:O[6]-2:C-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H)	C(N[6]C[6]O[6])(H)3	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C(N[6]C[6]O[6])(H)3	114.1520	0.000	1	115.7105	4.858	2	115.7105	4.858	2	115.7105	4.858	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:2:4:	3:3:3:1:	3:1:1:1:	C[6]-4:O[6]-2:C-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H)	C(N[6]C[6]O[6])(H)3	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C(N[6]C[6]O[6])(H)3	117.2690	0.000	1	115.7105	4.858	2	115.7105	4.858	2	115.7105	4.858	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:2:4:	3:3:4:1:	3:1:1:1:	C[6]-4:N[6]-2:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]CH)(N[6]C[6])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CC[6a]HH)(H)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6,6a]CH)(N[6]C[6])(CH3){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CC[6a]HH)(H){1|H<1>,3|C<3>}	C(N[6]C[6]N[6])(H)3	115.8250	0.000	1	115.8250	0.000	1	115.8250	0.000	1	115.8250	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:2:4:	4:3:1:1:	3:1:1:1:	C[6]-4:O[6]-2:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]HH)(O[6]C[5,6])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(N[6]O[6]C)(H)2	C(N[6]C[6]O[6])(H)3	N[6](C[6]C[5,6]HH)(O[6]C[5,6])(CH3){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(N[6]O[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	C(N[6]C[6]O[6])(H)3	111.1960	0.000	2	111.1960	0.000	2	111.1960	0.000	2	111.0330	0.080	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:2:4:	4:3:1:1:	3:1:1:1:	C[6]-4:O[6]-2:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(O[6]Ga[6])(CH3)	C[6](C[6]N[6]HH)(N[6]O[6]C)(H)2	C(N[6]C[6]O[6])(H)3	N[6](C[6]C[6]HH)(O[6]Ga[6])(CH3){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]O[6]C)(H)2{1|Ga<4>,1|C<4>,1|O<2>}	C(N[6]C[6]O[6])(H)3	110.7070	0.000	1	110.7070	0.000	1	110.7070	0.000	1	111.0330	0.080	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:2:4:	4:3:1:1:	3:4:1:1:	C[6]-4:N[6]-2:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(N[6]C[6])(CCHH)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(H)2	C(N[6]C[6]N[6])(CC[6a]HH)(H)2	N[6](C[6]C[6]HH)(N[6]C[6])(CCHH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(H)2{3|C<3>}	C(N[6]C[6]N[6])(CC[6a]HH)(H)2	115.3610	0.000	1	115.3610	0.000	1	115.3610	0.000	1	115.3610	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:2:4:	4:3:1:1:	3:4:4:4:	C[6]-4:P[6]-2:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]C[6]HH)(P[6]N[6])(CC3)	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2	C(N[6]C[6]P[6])(CH3)3	N[6](C[6]C[6]HH)(P[6]N[6])(CC3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2{1|N<3>,2|H<1>}	C(N[6]C[6]P[6])(CH3)3	114.7530	0.000	1	114.7530	0.000	1	114.7530	0.000	1	114.7530	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:2:4:	4:3:3:1:	3:3:4:1:	C[6]-4:O[6]-2:C-4:	C[5,6]-4:N[6]-3:C-3:H-1:	N[6]-3:C[6a]-3:C-4:H-1:	N[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6a]CH)	C[6](C[5,6]C[5,6]C[5]H)(N[6]O[6]C)(COO)(H)	C(N[6]C[6]O[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]O[6]C)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]O[6])(C[6a]C[6a]2)(CH3)(H)	118.3800	0.000	1	118.3800	0.000	1	118.3800	0.000	1	118.3800	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:2:4:	4:3:4:1:	3:1:1:1:	C[6]-4:O[6]-2:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(O[6]C[6])(CH3)	C[6](C[6]N[6]HH)(N[6]O[6]C)(CH3)(H)	C(N[6]C[6]O[6])(H)3	N[6](C[6]C[6]CH)(O[6]C[6])(CH3){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]O[6]C)(CH3)(H){1|C<4>,1|H<1>}	C(N[6]C[6]O[6])(H)3	113.1010	0.000	1	113.1010	0.000	1	113.1010	0.000	1	113.1010	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[6]-4:N[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)	C[6](N[6]N[6]C)(N[6]N[6]H)(H)2	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]HH)(N[6]C[6]H)(CH3){1|N<3>,3|H<1>}	C[6](N[6]N[6]C)(N[6]N[6]H)(H)2{1|H<1>,2|C<4>}	C(N[6]C[6]N[6])(H)3	111.2740	0.160	2	111.2740	0.026	2	111.2740	0.026	2	111.2740	0.026	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH){3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<3>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	114.6440	0.000	1	114.6440	0.000	1	114.6440	0.000	1	114.6440	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[6]-4:N[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]N[6]C)(H)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]N[6]C)(H){2|H<1>,4|C<3>}	C(N[6]C[6]N[6])(H)3	113.8820	0.000	1	113.8820	0.000	1	113.8820	0.000	1	113.8820	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	C[6](C[6]C[6]MoH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(N[6]C[6]2)(H)3	113.1480	0.000	1	113.1480	0.000	1	114.4805	4.523	6	114.4805	4.523	6	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C(N[6]C[6]2)(H)3	116.9980	0.000	1	114.7470	5.121	5	114.4805	4.523	6	114.4805	4.523	6	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(H)3	112.7970	0.000	1	114.7470	5.121	5	114.4805	4.523	6	114.4805	4.523	6	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C(N[6]C[6]2)(H)3	114.6467	2.407	3	114.7470	5.121	5	114.4805	4.523	6	114.4805	4.523	6	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH){1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	116.8920	0.000	1	116.8920	0.000	1	116.8920	0.000	1	116.8920	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:C-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CH)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C(C[5a]C[5a,6a]C[5a])(N[6]C[6]2)(CNO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CH){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(N[6]C[6]2)(CNO)(H)	116.9090	0.000	1	116.9090	0.000	1	116.9090	0.000	1	116.9090	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|S<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	117.4820	0.000	1	117.4820	0.000	1	117.4820	0.000	1	117.4820	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	116.6880	0.000	1	116.6880	0.000	1	116.3140	8.672	3	116.3140	8.672	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	113.2000	0.000	1	113.2000	0.000	1	116.3140	8.672	3	116.3140	8.672	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	119.0540	0.000	1	119.0540	0.000	1	116.3140	8.672	3	116.3140	8.672	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]MoH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]MoH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(H)3	111.0540	0.000	1	111.0540	0.000	1	111.0540	0.000	1	111.0540	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:C-4:	C[5,5,6,6]-4:N[6]-3:C-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,5,6,6]CH)(C[6]C[6,6]O)(CC[6a]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[5,6a])(N[6]C[6]C)(CNO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,5,6,6]CH)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,4|C<4>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[5,6a])(N[6]C[6]C)(CNO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.8270	0.000	1	115.8270	0.000	1	115.8270	0.000	1	115.8270	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[6]-4:N[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6]CH)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H){4|C<3>}	C(N[6]C[6]N[6])(H)3	115.6965	1.175	2	115.6965	1.379	2	115.6965	1.379	2	115.6965	1.379	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:4:1:1:	C[6]-4:N[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H)	C(N[6]C[6]N[6])(CCHH)(H)2	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H){1|H<1>,3|C<3>}	C(N[6]C[6]N[6])(CCHH)(H)2	114.8910	0.105	2	114.5525	0.200	4	114.5525	0.200	4	114.5525	0.200	4	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:4:1:1:	C[6]-4:N[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H)	C(N[6]C[6]N[6])(CCHH)(H)2	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<1>}	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H){1|H<1>,3|C<3>}	C(N[6]C[6]N[6])(CCHH)(H)2	114.2140	0.363	2	114.5525	0.200	4	114.5525	0.200	4	114.5525	0.200	4	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:4:4:1:	C[6]-4:N[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]C[6]CH)(N[6]C[6]C)(CCCH)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6]CH)(N[6]C[6]C)(CCCH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H){4|C<3>}	C(N[6]C[6]N[6])(CH3)2(H)	115.1490	0.000	1	115.1490	0.000	1	114.4720	0.386	3	114.4720	0.386	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:3:4:	4:3:4:1:	3:4:4:1:	C[6]-4:N[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH)	C[6](C[6]O[6]HH)(N[6]N[6]C)(CC[6a]HH)(H)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]N[6]C)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C(N[6]C[6]N[6])(CH3)2(H)	114.1335	0.291	2	114.1335	0.084	2	114.4720	0.386	3	114.4720	0.386	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:2:	3:3:4:1:	3:3:1:1:	C[6]-4:C-4:O[6]-2:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])	C[6](C[6]C[6]O)(N[6]O[6]C)(CC[5]HO)(H)	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6]){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]O)(N[6]O[6]C)(CC[5]HO)(H){1|C<4>,1|H<1>}	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	113.0885	0.698	2	113.0885	0.487	2	113.0885	0.487	2	113.0885	0.487	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:2:	3:4:3:1:	3:3:1:1:	C[6]-4:C-4:O[6]-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(O[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]O[6]C)(H)	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]O[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	112.3115	2.279	2	112.3115	5.194	2	112.3115	5.194	2	112.3115	5.194	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:2:	4:3:1:1:	3:3:3:1:	C[6]-4:C-4:O[6]-2:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:H-1:	N[6](C[6]C[6,6]HH)(CC[6a]2H)(O[6]B[6])	C[6](C[6,6]C[6]2O[6])(N[6]O[6]C)(H)2	C(N[6]C[6]O[6])(C[6a]C[6a]2)2(H)	N[6](C[6]C[6,6]HH)(CC[6a]2H)(O[6]B[6]){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6]2O[6])(N[6]O[6]C)(H)2{1|B<3>,2|C<4>,4|H<1>}	C(N[6]C[6]O[6])(C[6a]C[6a]2)2(H)	115.0720	0.000	1	115.0720	0.000	1	115.0720	0.000	1	115.0720	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:2:	4:3:3:1:	3:3:1:1:	C[6]-4:C-4:O[6]-2:	C[5]-4:C[6]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6]C[5]C[6]H)(CC[6a]HH)(O[6]C[6])	C[6](C[5]C[5]O[5]H)(C[6]C[6]O)(N[6]O[6]C)(H)	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[5]C[6]H)(CC[6a]HH)(O[6]C[6]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]O)(N[6]O[6]C)(H){1|O<2>,2|C<4>,3|H<1>}	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	112.0240	0.000	1	112.0240	0.000	1	112.0240	0.000	1	112.0240	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:2:	4:3:4:1:	3:3:1:1:	C[6]-4:C-4:O[6]-2:	C[5,6]-4:N[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H)	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	112.1730	0.000	1	111.5990	0.659	2	111.5990	0.659	2	111.5990	0.659	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:2:	4:3:4:1:	3:3:1:1:	C[6]-4:C-4:O[6]-2:	C[5,6]-4:N[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H)	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	111.0250	0.000	1	111.5990	0.659	2	111.5990	0.659	2	111.5990	0.659	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	2:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	O[6]-2:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CH3)	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CH3){2|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(N[6]C[6]2)(H)3	112.3120	0.243	2	112.3120	0.059	2	112.3120	0.059	2	112.3120	0.059	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	2:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	O[6]-2:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH)	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH){2|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	113.8550	0.000	1	113.8550	0.000	1	113.3293	0.967	4	113.3293	0.967	4	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	2:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	O[6]-2:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH)	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH){2|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	113.1540	1.125	3	113.1540	1.266	3	113.3293	0.967	4	113.3293	0.967	4	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	2:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	O[6]-2:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]CH)	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]CH){2|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	118.2610	0.000	1	118.2610	0.000	1	118.2610	0.000	1	118.2610	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	2:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	O[6]-2:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	112.0340	0.000	1	112.0340	0.000	1	112.7805	1.071	16	112.7805	1.071	16	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	2:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	O[6]-2:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(N[6]C[6]2)(CC[6a]HH)(H)2	113.0958	0.733	5	113.0958	0.537	5	112.7805	1.071	16	112.7805	1.071	16	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	2:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	O[6]-2:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(N[6]C[6]2)(CN[6]HH)(H)2	112.6975	1.192	10	112.6975	1.421	10	112.7805	1.071	16	112.7805	1.071	16	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	2:3:1:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:	O[6]-2:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCCH)	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCCH)(COO)(H)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCCH){2|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(N[6]C[6]2)(CCCH)(COO)(H)	115.6125	0.244	2	115.6125	0.060	2	115.6125	0.060	2	115.6125	0.060	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	2:3:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	O[6]-2:N[6]-3:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(CCHH)	C[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(CCHH){4|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)(H){1|H<1>,3|C<3>}	C(N[6]C[6]2)(CH3)(H)2	114.8690	0.000	1	114.8690	0.000	1	114.8690	0.000	1	114.8690	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:2:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:O[6]-2:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]O[6]HH)(CC[6a]HH)	C[6](N[6]C[6]C)(O[6]C[6])(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]O[6]HH)(CC[6a]HH){1|C<4>,2|H<1>}	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.8050	0.000	1	110.8050	0.000	1	110.8050	0.000	1	113.0455	10.040	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:2:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:S[6]-2:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH)	C[6](N[6]C[6]C)(S[6]C[6])(H)2	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH){2|C<3>}	C[6](N[6]C[6]C)(S[6]C[6])(H)2{1|N<3>,1|S<1>,2|H<1>}	C(N[6]C[6]2)(COO)(H)2	115.2860	0.000	1	115.2860	0.000	1	115.2860	0.000	1	113.0455	10.040	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:2:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:S[6]-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH)	C[6](N[6]C[6]C)(S[6]C[6])(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH){1|C<3>,1|C<4>}	C[6](N[6]C[6]C)(S[6]C[6])(H)2{1|N<3>,1|S<1>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	113.7490	0.000	1	113.7490	0.000	1	113.7490	0.000	1	113.7490	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:2:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CC[6a]HH){6|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(H){3|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	113.0040	0.000	1	113.0040	0.000	1	113.0040	0.000	1	113.4080	0.326	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:2:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:S[6]-2:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(CC[6a]HH)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(CC[6a]HH){6|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(N[6]C[6]C)(H){1|S<2>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	113.8120	0.000	1	113.8120	0.000	1	113.8120	0.000	1	113.4080	0.326	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:2:3:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CCHH)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CCHH){6|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(H){3|H<1>,5|C<3>}	C(N[6]C[6]2)(CCHH)(H)2	113.8120	0.000	1	113.8120	0.000	1	113.8120	0.000	1	113.8120	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:2:4:4:	3:3:1:1:	C[5,6]-4:C[6]-4:C-4:	N[6]-3:O[6]-2:C-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CC)(CC[6a]HH)	C[6](N[6]C[5,6]C)(O[6]C[6])(CH3)2	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CC)(CC[6a]HH){2|C<3>,3|C<4>}	C[6](N[6]C[5,6]C)(O[6]C[6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	115.0260	0.000	1	115.0260	0.000	1	115.0260	0.000	1	115.0260	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CH3){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6,6]C[6])(H)3	108.8900	0.000	1	108.8900	0.000	1	108.9630	0.011	2	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(CH3)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(CH3){1|C<4>,5|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(N[6]C[6,6]C[6])(H)3	109.0360	0.000	1	109.0360	0.000	1	108.9630	0.011	2	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)2{1|N<3>,2|C<4>,2|H<1>}	C(N[6]C[6,6]C[6])(H)3	109.8513	0.362	3	109.8513	0.131	3	109.8513	0.131	3	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](N[6]C[6,6]C)(C[6]C[6]C)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6,6]C[6])(H)3	107.8607	0.377	3	107.8607	0.142	3	107.8607	0.142	3	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]N[6,6]Ga[6]H)(C[6]N[6]HH)(CH3)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]N[6,6]Ga[6]H)(C[6]N[6]HH)(CH3){1|Ga<4>,1|N<4>,5|C<4>}	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2{1|Ga<4>,1|N<4>,3|H<1>}	C(N[6]C[6,6]C[6])(H)3	113.2650	0.000	1	113.2650	0.000	1	113.2650	0.000	1	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|S<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(N[6]C[6]2)(H)3	110.1970	0.140	2	110.1970	0.020	2	110.1970	0.020	2	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{3|C<4>,4|H<1>}	C(N[6]C[6]2)(H)3	110.7000	0.000	1	110.5250	0.061	2	110.3570	0.115	3	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|O<2>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(H)3	110.3500	0.000	1	110.5250	0.061	2	110.3570	0.115	3	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(N[6]C[6]2)(H)3	110.0210	0.000	1	110.0210	0.000	1	110.3570	0.115	3	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3){1|C<3>,1|N<2>,2|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>}	C(N[6]C[6]2)(H)3	111.2630	0.000	1	111.2630	0.000	1	110.4546	2.139	9	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(N[6]C[6]2)(H)3	108.9320	0.000	1	108.9320	0.000	1	110.4546	2.139	9	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6]2)(H)3	109.3980	0.040	2	109.6712	0.080	5	110.4546	2.139	9	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(N[6]C[6]2)(H)3	109.6400	0.000	1	109.6712	0.080	5	110.4546	2.139	9	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|N<2>,2|H<1>,3|C<3>}	C(N[6]C[6]2)(H)3	109.9600	0.000	2	109.6712	0.080	5	110.4546	2.139	9	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CH3){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C(N[6]C[6]2)(H)3	112.7700	0.178	2	112.7700	0.032	2	110.4546	2.139	9	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(H)3	110.8877	0.533	27	110.8877	0.284	27	110.5020	0.659	58	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|H<1>}	C(N[6]C[6]2)(H)3	107.9990	0.000	1	107.9990	0.000	1	110.5020	0.659	58	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){3|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	C(N[6]C[6]2)(H)3	110.6510	0.000	2	110.6510	0.000	2	110.5020	0.659	58	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C(N[6]C[6]2)(H)3	111.0440	0.000	1	111.0440	0.000	1	110.5020	0.659	58	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[5,6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(N[6]C[6]2)(H)3	109.5560	0.963	2	109.5560	0.928	2	110.5020	0.659	58	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C(N[6]C[6]2)(H)3	110.4000	0.000	1	110.2613	0.621	24	110.5020	0.659	58	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(H)3	109.6210	0.151	2	110.2613	0.621	24	110.5020	0.659	58	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(H)3	110.3156	0.817	21	110.2613	0.621	24	110.5020	0.659	58	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5,6]N)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5,6]N)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C(N[6]C[6]2)(H)3	109.4200	0.000	1	109.4200	0.000	1	110.5020	0.659	58	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C(N[6]C[6]2)(H)3	110.3370	0.000	1	110.3370	0.000	1	110.3370	0.000	1	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CH3)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CH3){1|Ga<4>,3|C<4>}	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2{1|Ga<4>,1|N<4>,3|H<1>}	C(N[6]C[6]2)(H)3	110.5310	0.000	1	110.5310	0.000	1	110.8427	2.070	56	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6]AlH)(C[6]N[6]HH)(CH3)	C[6](N[6]C[6]C)2(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]AlH)(C[6]N[6]HH)(CH3){1|Al<4>,3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|Al<4>,1|N<4>,3|H<1>}	C(N[6]C[6]2)(H)3	112.9535	0.402	2	112.9535	0.162	2	110.8427	2.070	56	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)2(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(H)3	111.2785	0.228	2	111.2785	0.052	2	110.8427	2.070	56	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]C)2(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)2(CH3){1|Al<4>,3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|Al<4>,1|N<4>,3|H<1>}	C(N[6]C[6]2)(H)3	110.4310	1.192	2	111.0997	1.421	42	110.8427	2.070	56	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]C)2(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)2(CH3){1|Al<4>,3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|Si<4>,1|N<4>,3|H<1>}	C(N[6]C[6]2)(H)3	110.6610	0.000	1	111.0997	1.421	42	110.8427	2.070	56	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]C)2(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)2(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(H)3	112.1780	1.731	2	111.0997	1.421	42	110.8427	2.070	56	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]C)2(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)2(CH3){1|C<3>,2|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(H)3	112.9423	0.258	4	111.0997	1.421	42	110.8427	2.070	56	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]C)2(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)2(CH3){1|H<1>,3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<4>,4|H<1>}	C(N[6]C[6]2)(H)3	111.7455	2.289	2	111.0997	1.421	42	110.8427	2.070	56	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]C)2(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)2(CH3){3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<3>,4|H<1>}	C(N[6]C[6]2)(H)3	110.9983	1.046	23	111.0997	1.421	42	110.8427	2.070	56	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]C)2(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)2(CH3){3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|Si<4>,1|N<3>,3|H<1>}	C(N[6]C[6]2)(H)3	110.2611	0.298	8	111.0997	1.421	42	110.8427	2.070	56	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	C[6](N[6]C[6]C)2(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){1|Al<4>,3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|Si<4>,1|N<4>,3|H<1>}	C(N[6]C[6]2)(H)3	108.1860	0.000	1	109.1121	2.036	9	110.8427	2.070	56	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	C[6](N[6]C[6]C)2(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|Si<4>,1|N<3>,3|H<1>}	C(N[6]C[6]2)(H)3	109.2279	1.480	8	109.1121	2.036	9	110.8427	2.070	56	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	P[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2	C(N[6]P[6,6]C[6])(H)3	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CH3){2|C<3>,2|P<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C(N[6]P[6,6]C[6])(H)3	115.2905	0.671	2	115.2905	0.450	2	115.2905	0.450	2	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:1:1:1:	S[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(H)2	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	C(N[6]C[6]S[6])(H)3	114.1900	0.000	1	114.1900	0.000	1	114.1900	0.000	1	110.6475	1.912	141	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[5,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:N-3:H-1:H-1:	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(CHHN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2	C(N[6]C[5,6]C[6])(NC[3]C)(H)2	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(CHHN){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(N[6]C[5,6]C[6])(NC[3]C)(H)2	107.6700	0.000	1	107.6700	0.000	1	107.6700	0.000	1	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CC[6a]HH){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2{1|N<3>,2|H<1>,3|C<3>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	111.7610	0.000	1	111.7610	0.000	1	111.7610	0.000	1	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.2160	0.000	1	110.6527	0.256	3	110.7296	1.403	16	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.3710	0.190	2	110.6527	0.256	3	110.7296	1.403	16	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.4950	0.000	1	110.4950	0.000	1	110.7296	1.403	16	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.7428	1.427	11	110.7428	2.036	11	110.7296	1.403	16	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.0500	0.000	1	111.0500	0.000	1	110.7296	1.403	16	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C(N[6]C[6]2)(CNO)(H)2	110.7450	0.000	1	110.7450	0.000	1	110.7450	0.000	1	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(C[5]C[5]N[5])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[5]HH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]N[5])(N[6]C[6]2)(H)2	109.8470	0.000	1	109.8470	0.000	1	109.8470	0.000	1	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.9105	0.689	2	110.9105	0.475	2	111.3425	1.471	11	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.1600	0.000	1	110.5997	0.323	3	111.3425	1.471	11	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.0230	0.000	1	110.5997	0.323	3	111.3425	1.471	11	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.6160	0.000	1	110.5997	0.323	3	111.3425	1.471	11	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	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>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	109.6080	0.000	1	109.6080	0.000	1	111.3425	1.471	11	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.7895	1.637	2	112.7895	2.680	2	111.3425	1.471	11	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH){2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2{1|O<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	112.1680	0.000	1	112.1680	0.000	1	111.3425	1.471	11	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH){2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2{1|O<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.3360	0.000	1	112.3360	0.000	1	111.3425	1.471	11	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CC[6a]HH){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.4570	0.000	1	111.4570	0.000	1	111.3425	1.471	11	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[5,6]C)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	108.0640	0.000	1	108.0640	0.000	1	111.2774	1.590	14	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.8765	1.022	2	111.8765	1.044	2	111.2774	1.590	14	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){3|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.1120	0.000	1	110.1120	0.000	1	111.2774	1.590	14	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.1110	0.000	1	112.1110	0.000	1	111.2774	1.590	14	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.4089	0.821	8	111.4089	0.674	8	111.2774	1.590	14	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6a]N[6])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<2>,4|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.5720	0.000	1	112.5720	0.000	1	111.2774	1.590	14	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	112.1930	0.000	1	112.1930	0.000	1	112.1930	0.000	1	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(CCH)(H)2	112.0530	0.000	1	112.0530	0.000	1	113.6767	4.783	7	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2{3|C<4>}	C(N[6]C[6]2)(COO)(H)2	115.9575	0.012	2	115.9575	0.000	2	113.6767	4.783	7	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6]HH)2(CCHH){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(CCH)(H)2	111.1865	0.074	2	111.1865	0.006	2	113.6767	4.783	7	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(N[6]C[6]2)(COO)(H)2	114.6980	1.078	2	114.6980	1.161	2	113.6767	4.783	7	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[5,6]HH)2(CC[6a]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[5,6]HH)2(CC[6a]HH){1|C<4>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.0206	1.433	8	112.0206	2.053	8	112.0206	2.053	8	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CC[6]HH)	C[6](N[6]C[6]C)2(H)2	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[6]HH){1|Cu<5>,3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<4>,4|H<1>}	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	115.5170	0.000	1	115.5170	0.000	1	115.5170	0.000	1	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|N<3>,2|C<4>}	C[6](N[6]C[6]C)2(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.9590	0.000	1	110.9590	0.000	1	111.2248	3.640	25	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]C[6]C)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	114.3760	0.000	1	110.7730	5.573	5	111.2248	3.640	25	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){2|C<4>,2|H<1>}	C[6](N[6]C[6]C)2(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	109.8723	1.422	4	110.7730	5.573	5	111.2248	3.640	25	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH){1|Pd<4>,3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|P<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.9030	0.164	2	110.3722	0.338	6	111.2248	3.640	25	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH){3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|P<3>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.1067	0.523	4	110.3722	0.338	6	111.2248	3.640	25	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CC[6a]HH)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	113.6750	0.000	1	113.6750	0.000	1	111.2248	3.640	25	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	113.5150	0.000	1	113.4340	0.299	5	111.2248	3.640	25	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH){1|C<3>,2|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<3>,1|S<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	113.8310	0.431	2	113.4340	0.299	5	111.2248	3.640	25	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH){1|C<3>,2|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.9965	0.551	2	113.4340	0.299	5	111.2248	3.640	25	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH){1|Cu<5>,3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<4>,4|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	108.3300	0.000	1	110.3884	3.572	7	111.2248	3.640	25	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH){3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<3>,4|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	110.7315	1.816	6	110.3884	3.572	7	111.2248	3.640	25	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH){2|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C(N[6]C[6]2)(COO)(H)2	116.5880	0.000	1	116.5880	0.000	1	113.9740	5.655	3	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CCHH)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]N[6]HH)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(COO)(H)2	111.9390	0.000	1	111.9390	0.000	1	113.9740	5.655	3	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CCHH)	C[6](N[6]C[6]C)2(H)2	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]N[6]HH)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(COO)(H)2	113.3950	0.000	1	113.3950	0.000	1	113.9740	5.655	3	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH)	C[6](N[6]C[6]C)2(H)2	C(N[6]C[6]2)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH){2|C<4>,2|H<1>}	C[6](N[6]C[6]C)2(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)2(H)2	111.5280	1.153	7	111.5280	1.329	7	112.2520	2.133	11	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CN[6]HH)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	C(N[6]C[6]2)2(H)2	N[6](C[6]N[6]HH)2(CN[6]HH){1|C<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(N[6]C[6]2)2(H)2	113.5190	1.044	4	113.5190	1.089	4	112.2520	2.133	11	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:P[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH)	C[6](N[6]C[6]C)(P[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH){3|C<4>}	C[6](N[6]C[6]C)(P[6]C[6]C)(H)2{1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	108.4560	0.908	4	108.4560	0.824	4	108.4560	0.824	4	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:S[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]S[6]C)(H)2	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]S[6]C)(H)2{1|N<3>,2|H<1>,2|O<1>}	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	112.4960	0.000	1	112.4960	0.000	1	112.4960	0.000	1	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	P[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CC[6a]HH){2|C<3>,2|P<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	113.0713	1.982	3	113.0713	3.930	3	113.0713	3.930	3	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	S[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6,6a]C)(N[6]S[6]C)(H)2	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CC[6a]HH){3|C<3>}	C[6](C[6]C[6,6a]C)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	115.3940	0.465	4	115.3940	0.216	4	115.3940	0.216	4	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:1:1:	S[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(N[6]S[6]C)(H)2	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(CC[6a]HH){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	115.7030	0.000	1	115.7030	0.000	1	115.7030	0.000	1	111.7025	4.040	114	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-3:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[3]O)(H)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[3]O)(H)	109.6330	0.000	1	109.6330	0.000	1	111.4210	11.506	3	112.2524	7.559	7	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-3:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(COO)(H)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(COO)(H)	112.3150	4.268	2	112.3150	18.217	2	111.4210	11.506	3	112.2524	7.559	7	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	N[6](C[6]N[5,6]HH)2(CC[6a]2H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]N[5,6]HH)2(CC[6a]2H){1|C<4>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	112.8760	2.498	4	112.8760	6.238	4	112.8760	6.238	4	112.2524	7.559	7	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	B[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CB[6a]CH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C(B[6a]N[6a]2)(N[6]C[6]2)(CC[6a]HH)(H)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CB[6a]CH){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C(B[6a]N[6a]2)(N[6]C[6]2)(CC[6a]HH)(H)	113.7130	0.000	1	113.7130	0.000	1	113.7130	0.000	1	113.3019	5.469	10	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]CH){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	111.9340	0.000	1	111.9340	0.000	1	112.1710	0.112	2	113.3019	5.469	10	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]CH){2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2{1|O<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	112.4080	0.000	1	112.4080	0.000	1	112.1710	0.112	2	113.3019	5.469	10	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]HH)2(CC[6a]CH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	112.5820	1.020	6	112.5820	1.040	6	112.5820	1.040	6	113.3019	5.469	10	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:3:4:1:	C[6]-4:P[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C-4:H-1:	N[6](C[6]C[6,6a]HH)(P[6]O[6]OO)(CC[6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(H)2	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[6]C[6,6a]HH)(P[6]O[6]OO)(CC[6a]CH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	119.4720	0.000	1	119.4720	0.000	1	119.4720	0.000	1	113.3019	5.469	10	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6a]C[6])(N[6]C[5,6]C)(H)2	C(N[6]C[5,6]C[6])(CC[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[5,6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(N[6]C[5,6]C[6])(CC[6]HH)(H)2	115.7310	0.485	2	115.7310	0.235	2	115.1983	0.969	3	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6a]C[6])(N[6]C[5,6]C)(H)2	C(N[6]C[5,6]C[6])(CC[6a]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[5,6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(N[6]C[5,6]C[6])(CC[6a]HH)(H)2	114.1330	0.000	1	114.1330	0.000	1	115.1983	0.969	3	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H)2	C(N[6]C[6,6]C[6])(CC[5a]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6,6]C[6])(CC[5a]HH)(H)2	110.5970	0.000	1	110.5970	0.000	1	110.5970	0.000	1	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	109.0950	0.000	1	109.0950	0.000	1	112.5498	1.648	18	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCHH){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|H<1>,2|N<2>,2|N<3>}	C(N[6]C[6]2)(CCHH)(H)2	110.9350	0.000	1	110.9350	0.000	1	112.5498	1.648	18	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	113.0520	0.000	1	113.0520	0.000	1	112.5498	1.648	18	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C(N[6]C[6]2)(CC[6a]HH)(H)2	112.9146	0.917	5	112.9146	0.841	5	112.5498	1.648	18	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C(N[6]C[6]2)(CN[6]HH)(H)2	112.7892	1.070	8	112.7892	1.145	8	112.5498	1.648	18	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2{1|O<2>,2|H<1>,3|C<3>}	C(N[6]C[6]2)(CN[6]HH)(H)2	112.9635	0.619	2	112.9635	0.383	2	112.5498	1.648	18	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(CH3)(H)2	109.3180	1.812	3	109.3180	3.282	3	110.5371	2.493	25	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	109.5957	1.941	4	109.5957	3.769	4	110.5371	2.493	25	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[5a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C(N[6]C[6]2)(CC[5a]HH)(H)2	109.4990	0.000	1	109.4990	0.000	1	110.5371	2.493	25	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(CC[6a]HH)(H)2	110.4750	2.854	2	110.4750	8.145	2	110.5371	2.493	25	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCHH){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(CH3)(H)2	111.4870	1.521	4	111.4870	2.313	4	110.5371	2.493	25	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	110.6158	0.550	6	110.6158	0.302	6	110.5371	2.493	25	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	111.2340	1.902	2	111.2340	3.618	2	110.5371	2.493	25	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]O[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,2|H<1>}	C[6](C[6]O[6]H)(N[6]C[6]C)(H)2{1|C<3>,2|H<1>}	C(N[6]C[6]2)(CHHN)(H)2	111.0460	1.977	2	111.0460	3.909	2	110.5371	2.493	25	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[5,6]N)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CCHH){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5,6]N)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C(N[6]C[6]2)(CCHH)(H)2	112.4380	0.000	1	112.4380	0.000	1	110.5371	2.493	25	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CCHH){1|C<3>,1|C<4>,1|N<3>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	112.5960	0.000	1	112.5960	0.000	1	113.8167	1.156	29	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]N[5,6]HH)2(CCHH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CClHH)(H)2	N[6](C[6]N[5,6]HH)2(CCHH){1|C<4>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<3>}	C(N[6]C[6]2)(CClHH)(H)2	113.2835	1.602	4	113.2835	2.565	4	113.8167	1.156	29	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]N[5,6]HH)2(CCHH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]N[5,6]HH)2(CCHH){1|C<4>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C(N[6]C[6]2)(CH3)(H)2	113.9437	0.882	12	113.9437	0.778	12	113.8167	1.156	29	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]N[5,6]HH)2(CCHH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]N[5,6]HH)2(CCHH){1|C<4>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C(N[6]C[6]2)(CHHN)(H)2	114.0932	1.297	4	114.0932	1.683	4	113.8167	1.156	29	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]N[5,6]HH)2(CCHH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]N[5,6]HH)2(CCHH){1|C<4>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C(N[6]C[6]2)(CHHO)(H)2	114.3407	0.727	4	113.9071	1.124	8	113.8167	1.156	29	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]N[5,6]HH)2(CCHH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]N[5,6]HH)2(CCHH){1|C<4>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<3>}	C(N[6]C[6]2)(CHHO)(H)2	113.4735	1.262	4	113.9071	1.124	8	113.8167	1.156	29	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]N[6,6]HH)2(CCHH)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHS)(H)2	N[6](C[6]N[6,6]HH)2(CCHH){1|S<4>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	C(N[6]C[6]2)(CHHS)(H)2	109.8120	0.000	1	109.8120	0.000	1	114.4841	5.031	16	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]N[6,6]HH)2(CCHH)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]N[6,6]HH)2(CCHH){3|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	C(N[6]C[6]2)(CN[6]HH)(H)2	115.0348	0.453	12	115.2608	0.517	14	114.4841	5.031	16	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]N[6,6]HH)2(CCHH)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]N[6,6]HH)2(CCHH){4|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|N<4>,6|H<1>}	C(N[6]C[6]2)(CN[6]HH)(H)2	116.6165	0.421	2	115.2608	0.517	14	114.4841	5.031	16	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]N[6,6]HH)2(CCHH)	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHS)(H)2	N[6](C[6]N[6,6]HH)2(CCHH){1|S<4>,2|C<4>}	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C(N[6]C[6]2)(CHHS)(H)2	108.2820	0.000	1	108.2820	0.000	1	114.4841	5.031	16	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCHH)	C[6](N[6]C[6,6a]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCHH){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	112.6320	0.000	1	112.6320	0.000	1	111.5260	4.617	8	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH)	C[6](N[6]C[6]C)2(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH){1|C<3>,1|C<4>}	C[6](N[6]C[6]C)2(H)2{1|S<1>,1|S<2>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	115.2430	0.000	1	115.2430	0.000	1	111.5260	4.617	8	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]N[6]HH)2(CCHH)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]N[6]HH)2(CCHH){1|C<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,4|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	110.7222	1.637	6	110.7222	2.681	6	111.5260	4.617	8	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[6]-4:P[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6a]HH)(P[6]O[6]NN)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(H)2	C(N[6]C[6]P[6])(CCHH)(H)2	N[6](C[6]C[6,6a]HH)(P[6]O[6]NN)(CCHH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C(N[6]C[6]P[6])(CCHH)(H)2	118.3670	0.000	1	118.3670	0.000	1	118.3670	0.000	1	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	P[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2	C(N[6]P[6,6]C[6])(CCHH)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH){2|C<3>,2|P<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C(N[6]P[6,6]C[6])(CCHH)(H)2	115.5420	1.912	3	115.5420	3.657	3	114.2352	5.293	5	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	P[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2	C(N[6]P[6,6]C[6])(CH3)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH){2|C<3>,2|P<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C(N[6]P[6,6]C[6])(CH3)(H)2	112.9990	0.000	1	112.9990	0.000	1	114.2352	5.293	5	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	P[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2	C(N[6]P[6,6]C[6])(CN[6]HH)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH){2|C<3>,2|P<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C(N[6]P[6,6]C[6])(CN[6]HH)(H)2	111.5510	0.000	1	111.5510	0.000	1	114.2352	5.293	5	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:1:1:	S[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6,6a]N)(N[6]S[6]C)(H)2	C(N[6]C[6]S[6])(CH3)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CCHH){1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]N)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	C(N[6]C[6]S[6])(CH3)(H)2	114.6010	0.373	2	114.6010	0.139	2	114.6010	0.139	2	112.8602	5.030	108	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:2:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-2:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCCH)(CN)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(N[6]C[6]2)(CCCH)(CN)(H)	112.5380	0.000	1	112.5380	0.000	1	112.5380	0.000	1	112.5380	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCCH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCCH)(COO)(H)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCCH){2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2{1|O<2>,2|H<1>,3|C<3>}	C(N[6]C[6]2)(CCCH)(COO)(H)	117.7855	0.047	2	117.7855	0.002	2	117.7855	0.002	2	115.7843	6.927	6	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCCH)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]HH)(COO)(H)	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCCH){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C(N[6]C[6]2)(CC[6a]HH)(COO)(H)	117.4760	0.000	1	117.4760	0.000	1	114.5350	10.937	3	115.7843	6.927	6	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	N[6](C[6]C[6]HH)2(CCCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(COO)(H)	N[6](C[6]C[6]HH)2(CCCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C(N[6]C[6]2)(CCHH)(COO)(H)	113.0645	2.983	2	113.0645	8.900	2	114.5350	10.937	3	115.7843	6.927	6	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCCH)	C[6](N[6]C[6]C)2(H)2	C(N[6]C[6]2)(CC[6a]HH)(COO)(H)	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCCH){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]C[6]C)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CC[6a]HH)(COO)(H)	115.5300	0.000	1	115.5300	0.000	1	115.5300	0.000	1	115.7843	6.927	6	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]N[5,6]HH)2(CCCH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]N[5,6]HH)2(CCCH){1|C<4>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C(N[6]C[6]2)(CH3)2(H)	114.9955	1.230	6	114.9955	1.512	6	116.1448	3.757	10	115.6933	4.104	13	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]N[5,6]HH)2(CCCH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHO)(CH3)(H)	N[6](C[6]N[5,6]HH)2(CCCH){1|C<4>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	C(N[6]C[6]2)(CHHO)(CH3)(H)	119.6850	0.000	1	117.8688	2.147	4	116.1448	3.757	10	115.6933	4.104	13	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]N[5,6]HH)2(CCCH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHO)(CH3)(H)	N[6](C[6]N[5,6]HH)2(CCCH){1|C<4>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<3>}	C(N[6]C[6]2)(CHHO)(CH3)(H)	117.2633	1.010	3	117.8688	2.147	4	116.1448	3.757	10	115.6933	4.104	13	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]N[6]HH)2(CCCH)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]N[6]HH)2(CCCH){1|C<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,4|H<1>}	C(N[6]C[6]2)(CH3)2(H)	113.5240	1.987	2	113.5240	3.948	2	113.5240	3.948	2	115.6933	4.104	13	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:4:1:	P[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCCH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2	C(N[6]P[6,6]C[6])(CH3)2(H)	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCCH){2|C<3>,2|P<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C(N[6]P[6,6]C[6])(CH3)2(H)	115.5170	0.000	1	115.5170	0.000	1	115.5170	0.000	1	115.6933	4.104	13	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:4:4:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]N[5,6]HH)2(CC3)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)3	N[6](C[6]N[5,6]HH)2(CC3){1|C<4>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C(N[6]C[6]2)(CH3)3	117.0935	3.787	4	117.0935	14.341	4	117.0935	14.341	4	117.8275	3.608	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:4:4:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]N[6]HH)2(CC3)	C[6](N[6]C[6]C)(N[6]C[6]S)(H)2	C(N[6]C[6]2)(CH3)3	N[6](C[6]N[6]HH)2(CC3){1|C<4>,2|S<4>}	C[6](N[6]C[6]C)(N[6]C[6]S)(H)2{1|N<3>,4|H<1>}	C(N[6]C[6]2)(CH3)3	118.5645	0.933	6	118.5645	0.870	6	117.9743	1.968	20	117.8275	3.608	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	3:4:4:4:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]N[6]HH)2(CC3)	C[6](N[6]C[6]C)2(H)2	C(N[6]C[6]2)(CH3)3	N[6](C[6]N[6]HH)2(CC3){1|C<3>,2|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<3>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(CH3)3	117.7214	1.520	14	117.7214	2.312	14	117.9743	1.968	20	117.8275	3.608	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[5]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[5]HH)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	C(C[5]C[5]2Fe)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[5]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(C[5]C[5]2Fe)(N[6]C[6]2)(H)2	112.6500	0.000	1	112.6500	0.000	1	112.6500	0.000	1	112.8930	0.184	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[5]-4:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CC[5]HH)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	113.3880	0.000	1	113.3880	0.000	1	113.0145	0.279	2	112.8930	0.184	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[5]-4:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CC[5]HH)	C[6](N[6]C[6]C)2(H)2	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	112.6410	0.000	1	112.6410	0.000	1	113.0145	0.279	2	112.8930	0.184	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:2:1:	3:3:1:1:	C[5,6]-4:C[6]-4:C-4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(O[6]C[6])(H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){3|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	114.9903	1.665	3	114.9903	2.774	3	114.9903	2.774	3	113.5968	1.919	9	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:2:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.8597	0.560	3	112.7460	0.261	4	112.7460	0.261	4	113.5968	1.919	9	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:2:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){3|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.4050	0.000	1	112.7460	0.261	4	112.7460	0.261	4	113.5968	1.919	9	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:2:1:	3:3:1:1:	C[6]-4:S[6]-4:C-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H)	C(N[6]C[6]S[6])(CCH)(H)2	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CCHH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(N[6]C[6]S[6])(CCH)(H)2	113.2080	0.035	2	113.2080	0.001	2	113.2080	0.001	2	113.5968	1.919	9	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:2:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	113.0375	1.170	2	113.0375	1.370	2	113.0375	1.370	2	113.0375	1.370	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:2:1:	4:3:1:1:	C[6]-4:S[6]-4:C-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[3]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CC[3]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H)	C(C[3]C[3]O[3]H)(N[6]C[6]S[6])(H)2	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CC[3]HH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[3]C[3]O[3]H)(N[6]C[6]S[6])(H)2	116.7150	0.000	1	116.7150	0.000	1	116.7150	0.000	1	116.7150	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	108.6930	0.000	1	108.6930	0.000	1	111.7023	1.575	12	112.3533	3.355	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6a]C[6a]2)(C[6]N[6]N)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]N)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C(N[6]C[6]2)(H)3	109.7900	0.000	1	109.7900	0.000	1	111.7023	1.575	12	112.3533	3.355	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)2(CH3)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|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>}	C(N[6]C[6]2)(H)3	111.7830	0.000	1	112.1945	0.243	10	111.7023	1.575	12	112.3533	3.355	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)2(CH3)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	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>}	C(N[6]C[6]2)(H)3	111.8570	0.000	1	112.1945	0.243	10	111.7023	1.575	12	112.3533	3.355	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)2(CH3)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	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>}	C(N[6]C[6]2)(H)3	112.2881	0.512	8	112.1945	0.243	10	111.7023	1.575	12	112.3533	3.355	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]N[6]H)2(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]N[6]H)2(CH3){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<2>,1|S<1>,2|H<1>,3|C<3>}	C(N[6]C[6]2)(H)3	113.0325	1.075	4	113.0325	1.156	4	113.0325	1.156	4	112.3533	3.355	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:1:1:1:	S[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:C-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3)	C[6](N[6]C[6,6a]S)(N[6]S[6]C)(CC[6a]C)(H)	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(N[6]S[6]C)(CC[6a]C)(H){2|C<3>,2|O<1>}	C(N[6]C[6]S[6])(H)3	117.4480	0.000	1	117.4480	0.000	1	117.4480	0.000	1	112.3533	3.355	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6a]-3:N[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	111.1970	0.000	1	111.1970	0.000	1	111.1970	0.000	1	111.6599	3.412	26	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.2360	0.734	2	115.2360	0.539	2	114.4640	2.057	3	111.6599	3.412	26	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.9200	0.000	1	112.9200	0.000	1	114.4640	2.057	3	111.6599	3.412	26	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]C)2(H)	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH){1|C<3>,1|N<3>,4|C<4>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]C)2(H){1|C<4>,2|C<3>,6|H<1>}	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	112.2025	1.425	2	112.2025	2.030	2	112.2755	0.691	4	111.6599	3.412	26	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]C)2(H)	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6]C)2(H){1|C<4>,2|C<3>,5|H<1>}	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	112.3485	0.146	2	112.3485	0.021	2	112.2755	0.691	4	111.6599	3.412	26	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.4417	3.234	3	111.7634	5.425	5	112.0819	3.988	7	111.6599	3.412	26	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.2460	0.115	2	111.7634	5.425	5	112.0819	3.988	7	111.6599	3.412	26	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CC[6a]HH){6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<2>,3|H<1>,6|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.4010	0.000	1	112.4010	0.000	1	112.0819	3.988	7	111.6599	3.412	26	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(CC[6a]HH){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|S<2>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	113.3550	0.000	1	113.3550	0.000	1	112.0819	3.988	7	111.6599	3.412	26	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	108.3550	0.000	1	108.3550	0.000	1	108.3550	0.000	1	111.6599	3.412	26	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CC[6a]HH)	C[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CC[6a]HH){5|C<3>}	C[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.0260	0.000	1	112.0260	0.000	1	110.4770	2.242	3	111.6599	3.412	26	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]C)(H){3|C<4>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	109.7025	0.941	2	109.7025	0.886	2	110.4770	2.242	3	111.6599	3.412	26	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.8040	0.000	1	111.8040	0.000	1	111.8040	0.000	1	111.6599	3.412	26	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6]C)(H){3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	109.9860	0.000	1	109.9860	0.000	1	110.5505	0.323	6	111.6599	3.412	26	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6a]C[6a]2)(N[6]C[6]C)2(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)2(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.2825	0.390	2	110.2825	0.152	2	110.5505	0.323	6	111.6599	3.412	26	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)(N[6]C[6]H)(H)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	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>}	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	110.5960	0.000	1	110.5960	0.000	1	110.5505	0.323	6	111.6599	3.412	26	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)2(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|N<2>,2|C<4>,2|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>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.0780	0.663	2	111.0780	0.440	2	110.5505	0.323	6	111.6599	3.412	26	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:3:4:1:	C[6]-4:P[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	118.8890	0.000	1	118.8890	0.000	1	118.8890	0.000	1	116.3972	4.832	5	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:3:4:1:	C[6]-4:P[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:C-4:H-1:	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	112.9040	0.000	1	115.7742	3.856	4	115.7742	3.856	4	116.3972	4.832	5	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:3:4:1:	C[6]-4:P[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:C-4:H-1:	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	116.7310	0.540	3	115.7742	3.856	4	115.7742	3.856	4	116.3972	4.832	5	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CCHH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C(N[6]C[6]2)(CHHO)(H)2	108.8085	1.051	2	108.8085	1.106	2	111.1115	7.550	4	113.7517	13.525	9	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CCHH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CCHH){6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<2>,3|H<1>,6|C<3>}	C(N[6]C[6]2)(CCHH)(H)2	113.8210	0.000	1	113.8210	0.000	1	111.1115	7.550	4	113.7517	13.525	9	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(CCHH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(CCHH){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C(N[6]C[6]2)(CH3)(H)2	113.0080	0.000	1	113.0080	0.000	1	111.1115	7.550	4	113.7517	13.525	9	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>,6|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	112.6770	0.000	1	112.6770	0.000	1	115.8638	8.840	5	113.7517	13.525	9	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)2(H)	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<2>,2|C<4>,2|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>}	C(N[6]C[6]2)(CN[6]HH)(H)2	116.6605	2.749	4	116.6605	7.555	4	115.8638	8.840	5	113.7517	13.525	9	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:3:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:	N[5,6]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(CCCH)	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(CCCH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<3>,3|C<4>,6|H<1>}	C(N[6]C[6]2)(CH3)2(H)	114.9590	0.000	1	114.9590	0.000	1	114.9590	0.000	1	114.9590	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:4:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]CH)(CH3)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(CCHH)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]CH)(CH3){2|C<4>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(N[6]C[6,6]C[6])(H)3	110.7720	0.000	1	110.7720	0.000	1	110.7720	0.000	1	112.7204	2.561	20	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:4:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	112.6850	0.000	1	112.6850	0.000	1	112.6850	0.000	1	112.7204	2.561	20	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:4:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(N[6]C[6]2)(H)3	112.9520	0.000	1	112.9520	0.000	1	112.9520	0.000	1	112.7204	2.561	20	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:4:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(N[6]C[6]2)(H)3	110.5685	0.059	2	111.7462	1.181	5	111.9213	0.900	7	112.7204	2.561	20	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:4:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6]2)(H)3	112.5313	0.223	3	111.7462	1.181	5	111.9213	0.900	7	112.7204	2.561	20	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:4:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6]2)(H)3	112.3590	0.371	2	112.3590	0.137	2	111.9213	0.900	7	112.7204	2.561	20	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:4:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:Si-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	C[6](N[6]C[6]C)2(SiC3)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){3|C<4>}	C[6](N[6]C[6]C)2(SiC3)(H){1|N<3>,4|H<1>}	C(N[6]C[6]2)(H)3	112.1355	0.835	4	112.1355	0.697	4	112.6808	0.791	8	112.7204	2.561	20	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:4:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:Si-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	C[6](N[6]C[6]C)2(SiC[6]CC)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){3|C<4>}	C[6](N[6]C[6]C)2(SiC[6]CC)(H){1|N<3>,4|H<1>}	C(N[6]C[6]2)(H)3	113.2260	0.597	4	113.2260	0.357	4	112.6808	0.791	8	112.7204	2.561	20	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:4:1:	3:1:1:1:	S[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3)	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CClHH)(H)	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CClHH)(H){2|C<3>,2|O<1>}	C(N[6]C[6]S[6])(H)3	116.4580	0.000	1	116.4580	0.000	1	116.5520	0.018	2	112.7204	2.561	20	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:4:1:	3:1:1:1:	S[6]-4:C[6]-4:C-4:	N[6]-3:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3)	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CHHS)(H)	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CHHS)(H){2|C<3>,2|O<1>}	C(N[6]C[6]S[6])(H)3	116.6460	0.000	1	116.6460	0.000	1	116.5520	0.018	2	112.7204	2.561	20	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:4:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]CC)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH){1|H<1>,4|C<4>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,5|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	108.5690	0.000	1	108.5690	0.000	1	108.5690	0.000	1	111.4816	4.299	8	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.5630	0.000	1	111.7990	0.111	2	111.7990	0.111	2	111.4816	4.299	8	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.0350	0.000	1	111.7990	0.111	2	111.7990	0.111	2	111.4816	4.299	8	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[5a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[5a]HH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	111.8230	0.000	1	111.8230	0.000	1	111.8230	0.000	1	111.4816	4.299	8	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.7210	0.000	1	115.7210	0.000	1	115.7210	0.000	1	111.4816	4.299	8	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]N[3,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[3,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.6920	0.000	1	111.6920	0.000	1	110.7140	0.721	3	111.4816	4.299	8	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.1620	0.000	1	110.1620	0.000	1	110.7140	0.721	3	111.4816	4.299	8	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)2(CC[6a]HH){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.2880	0.000	1	110.2880	0.000	1	110.7140	0.721	3	111.4816	4.299	8	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:4:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	110.9880	0.376	2	110.9880	0.142	2	110.9880	0.142	2	112.4657	6.621	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:4:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[5a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[5a]CH)	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CCHH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[5a]CH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CCHH)(H)	115.4210	0.000	1	115.4210	0.000	1	115.4210	0.000	1	112.4657	6.621	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	110.5440	0.000	1	110.5440	0.000	1	110.5440	0.000	1	110.5440	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:4:3:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:C-3:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(CNS)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(CNS){1|C<4>,3|H<1>}	C(N[6]C[6]2)(CH3)(H)2	112.3220	0.000	1	112.3220	0.000	1	112.3220	0.000	1	112.3220	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:3:4:4:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHS)(CF3)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHS)(CF3){1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6]2)(H)3	119.9440	0.000	1	119.9440	0.000	1	119.9440	0.000	1	119.9440	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:1:1:1:	C[5,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CH3)	C[6](N[6]C[5,6]C)(C[6]N[6]HH)(H)2	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6]C)(C[6]N[6]HH)(H)2{1|Fe<8>,3|C<4>}	C(N[6]C[5,6]C[6])(H)3	114.6995	3.401	4	114.6995	11.570	4	114.6995	11.570	4	112.0802	6.698	27	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6,6]C[6])(H)3	109.1300	0.000	1	108.7622	0.836	5	108.6545	0.738	6	112.0802	6.698	27	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6,6]C[6])(H)3	108.0000	0.338	2	108.7622	0.836	5	108.6545	0.738	6	112.0802	6.698	27	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){3|H<1>,4|C<3>}	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6,6]C[6])(H)3	109.3405	1.124	2	108.7622	0.836	5	108.6545	0.738	6	112.0802	6.698	27	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6,6]C[6])(H)3	108.1160	0.000	1	108.1160	0.000	1	108.6545	0.738	6	112.0802	6.698	27	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:1:1:1:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]P[6,6]C[6])(H)3	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|N<2>}	C(N[6]P[6,6]C[6])(H)3	112.4200	1.886	3	112.6729	1.995	17	112.6729	1.995	17	112.0802	6.698	27	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:1:1:1:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]P[6,6]C[6])(H)3	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|P<4>}	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	C(N[6]P[6,6]C[6])(H)3	116.4180	0.000	1	112.6729	1.995	17	112.6729	1.995	17	112.0802	6.698	27	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:1:1:1:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]P[6,6]C[6])(H)3	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3){1|C<4>,2|P<4>,3|H<1>}	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	C(N[6]P[6,6]C[6])(H)3	111.7389	0.212	7	112.6729	1.995	17	112.6729	1.995	17	112.0802	6.698	27	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:1:1:1:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]P[6,6]C[6])(H)3	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3){2|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	C(N[6]P[6,6]C[6])(H)3	113.2650	0.649	6	112.6729	1.995	17	112.6729	1.995	17	112.0802	6.698	27	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:3:1:1:	C[5,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	113.0840	0.000	1	112.0085	2.313	2	112.0085	2.313	2	111.2931	6.989	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:3:1:1:	C[5,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|O<2>,3|H<1>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	110.9330	0.000	1	112.0085	2.313	2	112.0085	2.313	2	111.2931	6.989	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(CCH)(H)2	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH){3|C<4>,5|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(N[6]C[6,6]C[6])(CCH)(H)2	108.2940	0.874	2	108.2940	0.764	2	108.2940	0.764	2	111.2931	6.989	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CC[6a]HH){3|C<4>,5|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,2|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	108.3930	0.000	1	108.3930	0.000	1	110.3663	4.127	6	111.2931	6.989	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH){3|C<4>,5|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	108.8720	0.000	1	108.8720	0.000	1	110.3663	4.127	6	111.2931	6.989	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	109.7400	0.454	2	109.7400	0.206	2	110.3663	4.127	6	111.2931	6.989	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	111.6370	0.000	1	112.7265	2.374	2	110.3663	4.127	6	111.2931	6.989	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	113.8160	0.000	1	112.7265	2.374	2	110.3663	4.127	6	111.2931	6.989	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:3:1:1:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	111.9500	0.000	1	111.9500	0.000	1	113.3188	7.362	5	111.2931	6.989	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:3:1:1:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	113.6610	3.006	4	113.6610	9.035	4	113.3188	7.362	5	111.2931	6.989	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:3:3:1:	C[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]2H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)2(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]2H){3|C<4>,5|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)2(H)	111.2800	0.341	4	111.2800	0.116	4	111.2800	0.116	4	111.2800	0.116	4	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:3:4:1:	C[5,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C-4:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]CH)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	110.2930	0.000	1	110.2930	0.000	1	110.2930	0.000	1	110.2930	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(CCHH)	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2	C(N[6]C[3x6]C[6])(CCHH)(H)2	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(CCHH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(N[6]C[3x6]C[6])(CCHH)(H)2	108.4220	0.000	1	108.4220	0.000	1	112.1997	11.130	3	112.9817	5.629	49	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(CCHH)	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2	C(N[6]C[3x6]C[6])(CCHH)(H)2	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(CCHH){2|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(N[6]C[3x6]C[6])(CCHH)(H)2	114.7420	0.000	1	114.7420	0.000	1	112.1997	11.130	3	112.9817	5.629	49	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[3x6]C[5,4x6]C[6,6]O)(C[6]C[6]HH)(CCHH)	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2	C(N[6]C[3x6]C[6])(CCHH)(H)2	N[6](C[3x6]C[5,4x6]C[6,6]O)(C[6]C[6]HH)(CCHH){4|C<4>,4|H<1>}	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(N[6]C[3x6]C[6])(CCHH)(H)2	113.4350	0.000	1	113.4350	0.000	1	112.1997	11.130	3	112.9817	5.629	49	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(CCHH)	C[6](N[6]C[5,6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[5,6,6]C[6])(CCHH)(H)2	N[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(CCHH){1|C<3>,4|C<4>,4|H<1>}	C[6](N[6]C[5,6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(N[6]C[5,6,6]C[6])(CCHH)(H)2	114.4455	0.028	2	114.4455	0.001	2	114.4455	0.001	2	112.9817	5.629	49	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(CCHH)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[5,6]C[6])(CCHH)(H)2	N[6](C[5,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(CCHH){1|O<1>,2|H<1>,4|C<4>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(N[6]C[5,6]C[6])(CCHH)(H)2	111.9585	0.088	2	111.9585	0.008	2	112.8820	8.880	5	112.9817	5.629	49	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CCHH)	C[6](N[6]C[5,6]C)(C[6]N[6]HH)(H)2	C(N[6]C[5,6]C[6])(CCHH)(H)2	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6]C)(C[6]N[6]HH)(H)2{1|Fe<8>,3|C<4>}	C(N[6]C[5,6]C[6])(CCHH)(H)2	110.2870	0.000	1	110.2870	0.000	1	112.8820	8.880	5	112.9817	5.629	49	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]HH)(CCHH)	C[6](N[6]C[5,6]C)(C[6]C[6]HN)(H)2	C(N[6]C[5,6]C[6])(CHHN)(H)2	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[5,6]C)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,3|H<1>}	C(N[6]C[5,6]C[6])(CHHN)(H)2	112.1700	0.000	1	112.1700	0.000	1	112.8820	8.880	5	112.9817	5.629	49	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[5,6]C[6])(CCHH)(H)2	N[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH){1|S<2>,2|H<1>,4|C<4>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C(N[6]C[5,6]C[6])(CCHH)(H)2	118.0360	0.000	1	118.0360	0.000	1	112.8820	8.880	5	112.9817	5.629	49	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	N[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH){4|C<4>,4|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(N[6]C[6,6]C[6])(CCHH)(H)2	112.7960	0.000	1	112.7960	0.000	1	111.5014	7.293	12	112.9817	5.629	49	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){1|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6,6]C[6])(CCHH)(H)2	115.6620	0.000	1	114.0410	1.660	5	111.5014	7.293	12	112.9817	5.629	49	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6,6]C[6])(CCHH)(H)2	113.6358	1.057	4	114.0410	1.660	5	111.5014	7.293	12	112.9817	5.629	49	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(CC[5a]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(N[6]C[6,6]C[6])(CC[5a]HH)(H)2	109.0946	1.310	5	109.0946	1.716	5	111.5014	7.293	12	112.9817	5.629	49	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){1|C<3>,2|O<2>,5|H<1>}	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C(N[6]C[6,6]C[6])(CCHH)(H)2	109.5430	0.000	1	109.5430	0.000	1	111.5014	7.293	12	112.9817	5.629	49	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:4:1:1:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]P[6,6]C[6])(CCHH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH){1|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|N<2>}	C(N[6]P[6,6]C[6])(CCHH)(H)2	114.0020	1.058	2	113.8952	6.315	13	113.7764	4.105	21	112.9817	5.629	49	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:4:1:1:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]P[6,6]C[6])(CCHH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH){1|C<4>,2|P<4>,3|H<1>}	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	C(N[6]P[6,6]C[6])(CCHH)(H)2	113.8758	2.732	11	113.8952	6.315	13	113.7764	4.105	21	112.9817	5.629	49	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:4:1:1:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]P[6,6]C[6])(CH3)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH){2|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	C(N[6]P[6,6]C[6])(CH3)(H)2	113.5834	0.914	8	113.5834	0.835	8	113.7764	4.105	21	112.9817	5.629	49	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:4:1:1:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[5]-4:H-1:H-1:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[5]HH)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]P[6,6]C[6])(C[5]C[5]2Fe)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[5]HH){1|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|N<2>}	C(N[6]P[6,6]C[6])(C[5]C[5]2Fe)(H)2	112.7000	0.006	2	113.1465	0.841	6	113.1465	0.841	6	112.9817	5.629	49	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:1:1:	3:4:1:1:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[5]-4:H-1:H-1:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[5]HH)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]P[6,6]C[6])(C[5]C[5]2Fe)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[5]HH){2|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	C(N[6]P[6,6]C[6])(C[5]C[5]2Fe)(H)2	113.3697	1.096	4	113.1465	0.841	6	113.1465	0.841	6	112.9817	5.629	49	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[6]C[6]C)(H){2|C<4>,3|H<1>,4|C<3>}	C(N[6]C[6]2)(H)3	110.9887	0.724	4	110.9887	0.525	4	110.9887	0.525	4	110.9031	4.876	51	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H){3|C<4>,3|H<1>,4|C<3>}	C(N[6]C[6]2)(H)3	109.9800	0.406	2	109.9800	0.165	2	111.3577	5.776	3	110.9031	4.876	51	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H){2|C<3>,3|C<4>,7|H<1>}	C(N[6]C[6]2)(H)3	114.1130	0.000	1	114.1130	0.000	1	111.3577	5.776	3	110.9031	4.876	51	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C(N[6]C[6]2)(H)3	110.4640	0.000	1	110.4640	0.000	1	110.5693	4.643	40	110.9031	4.876	51	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	111.8055	0.435	2	111.8055	0.189	2	110.5693	4.643	40	110.9031	4.876	51	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)2(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)2(CH3){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(H)3	109.2575	0.670	11	109.5876	2.135	15	110.5693	4.643	40	110.9031	4.876	51	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)2(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)2(CH3){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(H)3	109.4620	0.000	1	109.5876	2.135	15	110.5693	4.643	40	110.9031	4.876	51	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)2(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)2(CH3){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(H)3	109.3655	2.536	2	109.5876	2.135	15	110.5693	4.643	40	110.9031	4.876	51	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)2(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)2(CH3){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(N[6]C[6]2)(H)3	113.7880	0.000	1	109.5876	2.135	15	110.5693	4.643	40	110.9031	4.876	51	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)2(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)2(CH3){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(H)3	109.0192	0.538	11	108.9872	0.275	12	110.5693	4.643	40	110.9031	4.876	51	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)2(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)2(CH3){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(H)3	108.6350	0.000	1	108.9872	0.275	12	110.5693	4.643	40	110.9031	4.876	51	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)2(CH3)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<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>}	C(N[6]C[6]2)(H)3	114.6860	0.000	1	113.7037	0.240	10	110.5693	4.643	40	110.9031	4.876	51	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)2(CH3)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	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>}	C(N[6]C[6]2)(H)3	113.7710	0.000	1	113.7037	0.240	10	110.5693	4.643	40	110.9031	4.876	51	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)2(CH3)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	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>}	C(N[6]C[6]2)(H)3	113.5725	0.388	8	113.7037	0.240	10	110.5693	4.643	40	110.9031	4.876	51	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6]-4:S[6]-4:C-4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]C[5]H)(S[6]O[6]OO)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]F)(N[6]S[6]C)(H)	C(N[6]C[6]S[6])(H)3	N[6](C[6]C[6,6a]C[5]H)(S[6]O[6]OO)(CH3){1|F<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]F)(N[6]S[6]C)(H){1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<3>}	C(N[6]C[6]S[6])(H)3	114.8850	0.000	1	114.8850	0.000	1	114.8850	0.000	1	110.9031	4.876	51	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6]-4:S[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(S[6]N[6]OO)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]C)(H)	C(N[6]C[6]S[6])(H)3	N[6](C[6]C[6a]C[6]H)(S[6]N[6]OO)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C(N[6]C[6]S[6])(H)3	112.4640	0.000	1	113.4573	4.523	3	113.4573	4.523	3	110.9031	4.876	51	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6]-4:S[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(S[6]N[6]OO)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]C)(H)	C(N[6]C[6]S[6])(H)3	N[6](C[6]C[6a]C[6]H)(S[6]N[6]OO)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]C)(H){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C(N[6]C[6]S[6])(H)3	113.9540	2.751	2	113.4573	4.523	3	113.4573	4.523	3	110.9031	4.876	51	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-3:N[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]N[6])(N[6]C[6]ReH)(N[6]C[6]C)(H)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|Re<6>,1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]N[6])(N[6]C[6]ReH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	115.7020	0.000	1	115.7020	0.000	1	115.7020	0.000	1	110.5791	3.891	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[5a]HH)	C[6](C[6a]C[6a]2)(C[6]O[6]HO)(N[6]C[6]C)(H)	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[5a]HH){2|C<3>,2|O<2>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HO)(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	112.9510	0.000	1	112.9510	0.000	1	112.9510	0.000	1	110.5791	3.891	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.2550	0.338	2	110.2550	0.114	2	109.9327	1.592	12	110.5791	3.891	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){3|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.2070	0.000	1	110.2070	0.000	1	109.9327	1.592	12	110.5791	3.891	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.4740	1.023	3	111.4740	1.047	3	109.9327	1.592	12	110.5791	3.891	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	108.7820	0.000	1	109.0260	0.692	5	109.9327	1.592	12	110.5791	3.891	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH){2|H<1>,3|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	109.0870	0.948	4	109.0260	0.692	5	109.9327	1.592	12	110.5791	3.891	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	108.9230	0.000	1	108.9230	0.000	1	109.9327	1.592	12	110.5791	3.891	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C(N[6]C[6]2)(COO)(H)2	110.8420	0.000	1	110.8420	0.000	1	110.8420	0.000	1	110.5791	3.891	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]2H)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]2H){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	112.2370	0.078	2	112.2370	0.006	2	112.2370	0.006	2	112.2370	0.006	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[5a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[5a]CH)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CCHH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[5a]CH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CCHH)(H)	112.6140	0.000	1	112.6140	0.000	1	112.6140	0.000	1	113.7103	0.701	6	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	113.9296	0.718	5	113.9296	0.515	5	113.9296	0.515	5	113.7103	0.701	6	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6a]C[6]H)2(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6a]C[6]H)2(CCHH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C(N[6]C[6]2)(CHHO)(H)2	111.2807	0.748	4	111.2807	0.559	4	111.2807	0.559	4	111.2807	0.559	4	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:4:2:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:C-2:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCCH)(CN)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	C(N[6]C[6]2)(CCCH)(CN)(H)	114.3870	0.000	1	114.3870	0.000	1	114.3870	0.000	1	114.3870	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	3:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:C-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCCH)(COO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(N[6]C[6]2)(CCCH)(COO)(H)	114.8547	0.663	3	114.8547	0.439	3	114.8547	0.439	3	114.8547	0.439	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C(N[6]C[5,6,6]C[6])(H)3	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3){1|H<1>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(N[6]C[5,6,6]C[6])(H)3	110.1910	0.167	2	110.1910	0.028	2	110.1910	0.028	2	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]C[5,6]C)(H)2	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CH3){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]C[5,6]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	C(N[6]C[5,6]C[6])(H)3	110.9313	0.211	3	110.9313	0.044	3	110.9313	0.044	3	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6])(H)3	111.1310	0.000	1	111.3304	0.482	12	110.9043	0.810	49	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6]C[6])(H)3	110.5010	0.000	1	111.3304	0.482	12	110.9043	0.810	49	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6])(H)3	111.4333	0.705	10	111.3304	0.482	12	110.9043	0.810	49	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6])(H)3	110.3594	1.370	5	111.0533	0.880	16	110.9043	0.810	49	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(N[6]C[6,6]C[6])(H)3	111.0820	0.000	1	111.0533	0.880	16	110.9043	0.810	49	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6])(H)3	111.3974	0.484	10	111.0533	0.880	16	110.9043	0.810	49	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[4,4x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[4,4x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6])(H)3	111.0190	0.000	1	111.0190	0.000	1	110.9043	0.810	49	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[4x6]N[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[4x6]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[4x6]N[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[6]C[6,6]C[6])(H)3	110.1435	0.436	2	110.1435	0.190	2	110.9043	0.810	49	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6])(H)3	110.3453	1.310	3	110.2760	1.162	4	110.9043	0.810	49	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(N[6]C[6,6]C[6])(H)3	110.0680	0.000	1	110.2760	1.162	4	110.9043	0.810	49	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6,6]C[6])(H)3	109.9965	0.264	2	109.9965	0.070	2	110.9043	0.810	49	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6])(H)3	110.5355	0.221	2	111.0030	0.345	7	110.9043	0.810	49	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6])(H)3	111.1900	0.594	5	111.0030	0.345	7	110.9043	0.810	49	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3){3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6,6]C[6])(H)3	110.2365	1.428	2	110.2365	2.038	2	110.9043	0.810	49	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(N[6]C[6,6]C[6])(H)3	110.5520	0.000	1	110.5520	0.000	1	110.9043	0.810	49	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]N[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]N[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|N<3>,2|C<4>,2|H<1>}	C(N[6]C[6,6]C[6])(H)3	110.5220	2.053	2	110.5220	4.217	2	110.9043	0.810	49	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CH3)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C(N[6]C[6]2)(H)3	113.6090	0.000	1	113.2200	0.068	4	113.2200	0.068	4	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CH3)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	113.0903	0.033	3	113.2200	0.068	4	113.2200	0.068	4	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3){2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>,6|H<1>}	C(N[6]C[6]2)(H)3	108.8540	0.000	1	108.8540	0.000	1	108.8540	0.000	1	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	113.6542	0.596	4	113.6542	0.355	4	112.3850	1.926	43	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(H)3	110.8930	0.450	3	112.4964	0.994	29	112.3850	1.926	43	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C(N[6]C[6]2)(H)3	112.6815	0.868	26	112.4964	0.994	29	112.3850	1.926	43	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[6,6]C[5])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[6,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,4|H<1>,5|C<4>}	C(N[6]C[6]2)(H)3	111.2720	0.000	1	111.2720	0.000	1	112.3850	1.926	43	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{3|C<4>,5|H<1>}	C(N[6]C[6]2)(H)3	110.2850	0.000	1	110.2850	0.000	1	112.3850	1.926	43	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C(N[6]C[6]2)(H)3	112.0570	0.000	1	112.0570	0.000	1	112.3850	1.926	43	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C(N[6]C[6]2)(H)3	109.9670	0.000	1	109.9670	0.000	1	112.3850	1.926	43	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]HH)2(CH3)	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)2(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	113.5810	0.831	4	113.5810	0.691	4	112.3850	1.926	43	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]HH)2(CH3)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)2(CH3){1|C<3>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C(N[6]C[6]2)(H)3	108.8180	0.573	2	108.8180	0.328	2	112.3850	1.926	43	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<4>,2|C<4>,5|H<1>}	C(N[6]C[6]2)(H)3	109.8405	2.662	2	109.8405	7.088	2	110.6395	1.462	39	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	110.6960	0.000	1	110.6960	0.000	1	110.6395	1.462	39	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	112.4945	0.306	2	112.4945	0.094	2	110.6395	1.462	39	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]2H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C(N[6]C[6]2)(H)3	109.8870	0.000	1	109.8870	0.000	1	110.6395	1.462	39	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C(N[6]C[6]2)(H)3	108.7020	0.000	1	110.4155	5.872	2	110.6395	1.462	39	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C(N[6]C[6]2)(H)3	112.1290	0.000	1	110.4155	5.872	2	110.6395	1.462	39	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C(N[6]C[6]2)(H)3	110.0575	0.404	4	110.4584	1.011	19	110.6395	1.462	39	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|C<4>,6|H<1>}	C(N[6]C[6]2)(H)3	110.4230	0.472	2	110.4584	1.011	19	110.6395	1.462	39	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(N[6]C[6]2)(H)3	110.4264	0.597	9	110.4584	1.011	19	110.6395	1.462	39	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,1|P<4>,3|H<1>}	C(N[6]C[6]2)(H)3	112.3085	1.644	2	110.4584	1.011	19	110.6395	1.462	39	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|C<4>,6|H<1>}	C(N[6]C[6]2)(H)3	109.5895	1.706	2	110.4584	1.011	19	110.6395	1.462	39	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(N[6]C[6]2)(H)3	110.1070	0.000	1	110.8917	1.431	6	110.6395	1.462	39	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	112.2760	0.885	2	110.8917	1.431	6	110.6395	1.462	39	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	C(N[6]C[6]2)(H)3	109.6530	0.000	1	110.8917	1.431	6	110.6395	1.462	39	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	C(N[6]C[6]2)(H)3	110.7530	0.000	1	110.8917	1.431	6	110.6395	1.462	39	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	C(N[6]C[6]2)(H)3	110.2850	0.000	1	110.8917	1.431	6	110.6395	1.462	39	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){1|C<4>,2|C<3>,2|N<3>}	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	111.8225	0.296	2	111.5232	0.153	4	110.6395	1.462	39	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){1|C<4>,2|C<3>,2|N<3>}	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(N[6]C[6]2)(H)3	111.2240	0.112	2	111.5232	0.153	4	110.6395	1.462	39	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C(N[6]C[6]2)(H)3	109.3515	0.641	2	109.3515	0.411	2	110.6395	1.462	39	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C(N[6]C[6]2)(H)3	108.5005	0.356	2	108.5005	0.127	2	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	108.7840	0.000	1	108.7840	0.000	1	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	110.5990	0.000	1	110.5990	0.000	1	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C(N[6]C[6]2)(H)3	110.6360	0.000	1	110.6360	0.000	1	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(H)3	110.7020	0.000	1	111.4698	0.320	4	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(H)3	111.7257	0.294	3	111.4698	0.320	4	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]2)(H)3	112.2630	0.000	1	112.2630	0.000	1	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(N[6]C[6]2)(H)3	111.2535	0.401	2	111.2535	0.161	2	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]2)(H)3	110.4060	0.000	1	110.4060	0.000	1	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	110.7070	0.000	1	110.7070	0.000	1	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]N[5]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]N[5]H)(N[6]C[6]C)(H)2{1|N<3>,3|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	109.4920	0.000	1	109.4920	0.000	1	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>}	C(N[6]C[6]2)(H)3	113.8860	0.000	1	113.8860	0.000	1	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]2)(H)3	111.2011	0.954	7	111.2011	0.910	7	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]2)(H)3	111.6658	0.808	4	111.6658	0.653	4	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]2)(H)3	108.5745	0.063	2	110.0163	6.239	3	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]2)(H)3	112.9000	0.000	1	110.0163	6.239	3	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(N[6]C[6]2)(H)3	110.4353	0.564	3	110.4353	0.318	3	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3){1|C<2>,1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,2|C<4>}	C(N[6]C[6]2)(H)3	109.4660	0.000	1	109.7893	0.091	3	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	109.8400	0.000	1	109.7893	0.091	3	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>}	C(N[6]C[6]2)(H)3	110.0620	0.000	1	109.7893	0.091	3	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C(N[6]C[6]2)(H)3	110.5452	0.712	4	110.5452	0.506	4	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	110.4820	0.000	1	110.4820	0.000	1	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	111.4690	0.000	1	111.4690	0.000	1	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<4>}	C(N[6]C[6]2)(H)3	108.0120	0.000	1	108.0120	0.000	1	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C(N[6]C[6]2)(H)3	110.1955	0.545	2	110.1955	0.297	2	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	109.4470	0.000	1	110.6310	1.083	5	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(H)3	111.0000	0.494	2	110.6310	1.083	5	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	C(N[6]C[6]2)(H)3	111.9300	0.000	1	110.6310	1.083	5	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	109.7780	0.000	1	110.6310	1.083	5	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	109.9430	0.000	1	110.3771	1.494	39	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(H)3	110.3240	0.000	1	110.3771	1.494	39	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	110.3990	0.503	2	110.3771	1.494	39	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(N[6]C[6]2)(H)3	109.9057	0.705	6	110.3771	1.494	39	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	110.4116	1.402	26	110.3771	1.494	39	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(H)3	111.3650	1.126	2	110.3771	1.494	39	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	110.7770	0.000	1	110.3771	1.494	39	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(H)3	110.9400	0.000	1	110.9400	0.000	1	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C(N[6]C[6]2)(H)3	109.7560	0.000	1	110.4877	0.403	3	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6]2)(H)3	110.8860	0.000	1	110.4877	0.403	3	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(N[6]C[6]2)(H)3	110.8210	0.000	1	110.4877	0.403	3	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	111.5260	0.000	1	110.6806	0.950	387	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(N[6]C[6]2)(H)3	110.3110	0.000	1	110.6806	0.950	387	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	110.9690	0.000	1	110.6806	0.950	387	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	110.5855	0.741	204	110.6806	0.950	387	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C(N[6]C[6]2)(H)3	110.4259	0.588	12	110.6806	0.950	387	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(H)3	110.2087	0.395	3	110.6806	0.950	387	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|P<3>,2|H<1>}	C(N[6]C[6]2)(H)3	110.8265	1.331	2	110.6806	0.950	387	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|P<4>,2|H<1>}	C(N[6]C[6]2)(H)3	110.4393	0.855	12	110.6806	0.950	387	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(N[6]C[6]2)(H)3	109.8798	0.640	6	110.6806	0.950	387	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	110.8823	1.448	83	110.6806	0.950	387	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	111.2510	0.158	2	110.6806	0.950	387	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Al<5>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	110.9827	0.499	4	110.6806	0.950	387	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Al<7>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	110.7690	0.328	2	110.6806	0.950	387	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Bi<5>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	111.3865	0.692	14	110.6806	0.950	387	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|V<7>,3|H<1>}	C(N[6]C[6]2)(H)3	110.5160	0.567	2	110.6806	0.950	387	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(H)3	109.9760	1.100	4	110.6806	0.950	387	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	111.8855	0.057	2	110.6806	0.950	387	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	109.8040	0.624	2	110.6806	0.950	387	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Sb<4>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	111.0870	0.242	4	110.6806	0.950	387	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Sb<5>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	110.6733	0.416	12	110.6806	0.950	387	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Zn<4>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	110.3338	0.671	4	110.6806	0.950	387	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	111.5845	1.928	6	110.6806	0.950	387	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C(N[6]C[6]2)(H)3	110.2520	0.407	4	110.6806	0.950	387	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]O[6]CC)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CC)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	108.8395	0.104	2	108.8395	0.011	2	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	110.7935	0.209	2	110.7935	0.044	2	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	106.1513	7.237	6	106.1513	52.375	6	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)	C[6](C[6]P[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|P<4>,4|H<1>}	C[6](C[6]P[6]HH)(N[6]C[6]C)(H)2{1|Fe<5>,1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	110.4173	1.970	20	110.4173	3.881	20	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,2|F<1>}	C(N[6]C[6]2)(H)3	109.2460	0.000	1	109.2460	0.000	1	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{1|H<1>,2|C<4>,3|C<3>}	C(N[6]C[6]2)(H)3	108.8270	0.028	2	108.8270	0.001	2	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]2)(H)3	111.1600	0.000	1	111.1600	0.000	1	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]Si[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]Si[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|I<1>,2|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Si<4>,1|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	107.7990	0.000	1	107.7990	0.000	1	110.5719	1.912	515	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	N[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CH3)	C[6](N[6,6]C[6,6]Ga[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CH3){1|Ga<4>,3|C<4>}	C[6](N[6,6]C[6,6]Ga[6]C)(N[6]C[6]C)(H)2{1|Ga<4>,1|N<3>,3|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	108.9390	0.000	1	108.9390	0.000	1	108.9390	0.000	1	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)2(CH3){1|Al<4>,3|C<4>}	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2{1|Al<4>,1|N<3>,3|H<1>}	C(N[6]C[6]2)(H)3	109.6425	0.363	2	110.1066	0.377	5	110.7014	2.459	7	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)2(CH3){1|Al<4>,3|C<4>}	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2{1|Si<4>,1|N<3>,3|H<1>}	C(N[6]C[6]2)(H)3	109.7580	0.000	1	110.1066	0.377	5	110.7014	2.459	7	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)2(CH3){2|Al<4>,3|C<4>}	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2{1|N<4>,4|H<1>}	C(N[6]C[6]2)(H)3	110.7450	0.086	2	110.1066	0.377	5	110.7014	2.459	7	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)2(CH3){1|H<1>,3|C<4>}	C[6](N[6]C[6]CH)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	C(N[6]C[6]2)(H)3	112.1885	2.657	2	112.1885	7.058	2	110.7014	2.459	7	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	P[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]CH)(C[6]P[6]HH)(CH3)	C[6](P[6]C[5,6]C[6a]2)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]CH)(C[6]P[6]HH)(CH3){1|Fe<10>,2|C<3>,2|C<4>}	C[6](P[6]C[5,6]C[6a]2)(N[6]C[6]C)(H)2{1|Fe<10>,1|H<1>,3|C<4>,4|C<3>}	C(N[6]C[6]2)(H)3	109.5830	0.000	1	109.5830	0.000	1	109.5830	0.000	1	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:P[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]HH)(P[6]N[6]NN)(CH3)	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2	C(N[6]C[6]P[6])(H)3	N[6](C[6]C[6]HH)(P[6]N[6]NN)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2{1|N<3>,2|H<1>,2|N<2>}	C(N[6]C[6]P[6])(H)3	112.6070	1.207	3	112.6070	1.456	3	112.6070	1.456	3	110.7372	2.028	668	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:2:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-2:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C(N[6]C[6]2)(CC)(H)2	108.7300	0.693	2	108.7300	0.480	2	108.7300	0.480	2	111.3921	1.274	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:2:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-2:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(CC)(H)2	111.3000	0.233	4	111.0327	0.130	8	111.6568	0.695	20	111.3921	1.274	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:2:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-2:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2)(CC)(H)2	110.7655	0.244	4	111.0327	0.130	8	111.6568	0.695	20	111.3921	1.274	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:2:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-2:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2)(CC)(H)2	111.8744	0.913	8	111.8744	0.834	8	111.6568	0.695	20	111.3921	1.274	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:2:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-2:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(CN)(H)2	112.2750	0.335	2	112.4698	0.104	4	111.6568	0.695	20	111.3921	1.274	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:2:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-2:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2)(CN)(H)2	112.6645	0.220	2	112.4698	0.104	4	111.6568	0.695	20	111.3921	1.274	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:2:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:H-1:H-1:	N[6](C[6]C[6]HH)2(CHHO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(H)2	N[6](C[6]C[6]HH)2(CHHO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(OC)(H)2	111.4075	0.231	2	111.4075	0.053	2	111.4075	0.053	2	111.3921	1.274	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CC[6a]HH)	C[6](C[6,6]C[6]2N[6])(N[6]C[5,6]C)(H)2	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CC[6a]HH){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6]2N[6])(N[6]C[5,6]C)(H)2{4|C<4>,6|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	109.7320	0.000	1	109.7320	0.000	1	109.7320	0.000	1	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[3x6]N[6]H)(C[6]C[6,6]HH)(CC[6a]HH)	C[6](C[6,6]C[3x6]C[6,6]H)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[3x6]N[6]H)(C[6]C[6,6]HH)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(N[6]C[6,6]C)(H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	110.2350	0.000	1	110.2350	0.000	1	111.6952	3.243	5	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6,6]CC)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	114.5360	0.000	1	113.3410	2.856	2	111.6952	3.243	5	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6,6]CC)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CC)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	112.1460	0.000	1	113.3410	2.856	2	111.6952	3.243	5	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CC[6a]HH){1|N<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	111.4470	0.000	1	111.4470	0.000	1	111.6952	3.243	5	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,6|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	110.1120	0.000	1	110.1120	0.000	1	111.6952	3.243	5	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]HH){1|C<4>,2|C<3>,2|O<2>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|H<1>,4|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.4215	1.554	2	111.4215	2.413	2	111.4215	2.413	2	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CC[6a]HH)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	108.9480	0.000	1	108.9480	0.000	1	110.6090	5.518	2	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>,5|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.2700	0.000	1	112.2700	0.000	1	110.6090	5.518	2	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(N[6]C[6]C)(H)2	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH){2|C<3>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	112.0480	0.000	1	112.0480	0.000	1	112.7735	1.053	2	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH){2|C<3>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2{1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	113.4990	0.000	1	113.4990	0.000	1	112.7735	1.053	2	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.3320	0.000	1	112.3320	0.000	1	111.2853	1.566	19	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<3>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	109.7035	0.887	2	109.7035	0.788	2	111.2853	1.566	19	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	113.1840	1.428	2	113.1840	2.040	2	111.2853	1.566	19	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[4]N[5])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[4]N[5])(N[6]C[6]C)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.1540	0.000	1	112.1540	0.000	1	111.2853	1.566	19	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.1190	0.000	1	110.1190	0.000	1	111.2853	1.566	19	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]C)(H)2{2|C<4>,2|O<2>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.2450	0.000	1	111.2450	0.000	1	111.2853	1.566	19	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.3400	0.000	1	110.3400	0.000	1	111.2853	1.566	19	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.9470	0.000	1	110.9470	0.000	1	111.2853	1.566	19	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H)2{1|N<3>,3|C<3>,5|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.1910	0.000	1	111.1910	0.000	1	111.2853	1.566	19	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)2(CC[6a]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)2(CC[6a]HH){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.8820	0.269	3	110.8820	0.072	3	111.2853	1.566	19	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)2(CC[6a]HH)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)2(CC[6a]HH){1|C<3>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.0435	0.702	2	112.0435	0.493	2	111.2853	1.566	19	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)2(CC[6a]HH)	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)2(CC[6a]HH){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.1947	1.819	3	111.1947	3.308	3	111.2853	1.566	19	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C(N[6]C[6]2)(CCH)(H)2	113.3840	0.000	1	113.3840	0.000	1	113.3840	0.000	1	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[6]C)(H)2	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH){2|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	115.0230	0.000	1	115.0230	0.000	1	111.9392	4.816	44	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	114.4520	0.000	1	114.4520	0.000	1	111.9392	4.816	44	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	113.0895	5.106	2	111.2915	13.061	4	111.9392	4.816	44	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	109.4935	0.424	2	111.2915	13.061	4	111.9392	4.816	44	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<3>,3|C<4>}	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	114.0180	0.000	1	113.7568	5.632	5	111.9392	4.816	44	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<4>,3|C<3>}	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	113.6915	2.735	4	113.7568	5.632	5	111.9392	4.816	44	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>,2|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.3860	0.000	1	111.2551	3.938	12	111.9392	4.816	44	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.1560	0.000	1	111.2551	3.938	12	111.9392	4.816	44	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.0940	0.000	1	111.2551	3.938	12	111.9392	4.816	44	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.4070	0.000	1	111.2551	3.938	12	111.9392	4.816	44	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	108.7535	2.282	2	111.2551	3.938	12	111.9392	4.816	44	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.4857	0.296	4	111.2551	3.938	12	111.9392	4.816	44	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.2840	0.291	2	111.2551	3.938	12	111.9392	4.816	44	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	110.2223	0.647	4	110.2223	0.418	4	111.9392	4.816	44	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.0815	3.539	2	112.0926	3.249	16	111.9392	4.816	44	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.4230	0.000	1	112.0926	3.249	16	111.9392	4.816	44	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.9695	0.364	2	112.0926	3.249	16	111.9392	4.816	44	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|O<1>,3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.2040	0.000	1	112.0926	3.249	16	111.9392	4.816	44	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|S<2>,5|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.2100	0.645	2	112.0926	3.249	16	111.9392	4.816	44	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|S<4>,5|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.9140	1.126	2	112.0926	3.249	16	111.9392	4.816	44	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,1|S<4>,5|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.2925	0.087	2	112.0926	3.249	16	111.9392	4.816	44	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|S<3>,6|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	113.1125	0.105	2	112.0926	3.249	16	111.9392	4.816	44	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|O<2>,1|S<4>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.8470	1.850	2	112.0926	3.249	16	111.9392	4.816	44	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.4670	0.000	1	112.4670	0.000	1	111.9392	4.816	44	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(N[6]C[6]2)(COO)(H)2	115.8997	1.799	4	115.8997	3.238	4	113.1446	11.443	8	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<4>,6|H<1>}	C(N[6]C[6]2)(CCH)(H)2	110.2430	1.689	2	110.2430	2.851	2	113.1446	11.443	8	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	C(N[6]C[6]2)(CNO)(H)2	110.5360	2.594	2	110.5360	6.727	2	113.1446	11.443	8	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[5]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(C[5]C[5]N[5])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[5]HH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(C[5]C[5]N[5])(N[6]C[6]2)(H)2	110.8610	0.000	1	110.8610	0.000	1	110.4986	3.455	9	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[5]C[5]N[5])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[5]C[5]N[5])(N[6]C[6]2)(H)2	110.4532	1.982	8	110.4532	3.927	8	110.4986	3.455	9	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH){1|C<3>,1|N<3>,4|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	109.2405	1.201	2	109.2405	1.443	2	110.4612	1.793	16	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	109.4015	0.569	2	109.4015	0.324	2	110.4612	1.793	16	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[5a]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[5a]HH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	113.2130	0.000	1	113.2130	0.000	1	110.4612	1.793	16	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	111.2495	0.049	2	111.2495	0.002	2	110.4612	1.793	16	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	109.4875	1.298	2	109.4875	1.684	2	110.4612	1.793	16	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[5a]N[5a]O[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(C[5a]N[5a]O[5a])(N[6]C[6]2)(H)2	110.4265	1.760	2	110.4265	3.098	2	110.4612	1.793	16	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5a]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	111.6745	0.593	2	111.6745	0.352	2	110.4612	1.793	16	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5a]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[5a]N[5a,6a]C[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[5a]N[5a,6a]C[5a])(N[6]C[6]2)(H)2	110.7980	0.397	2	110.7980	0.158	2	110.4612	1.793	16	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[5a]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[5a]HH){2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	109.6100	0.000	1	109.6100	0.000	1	110.4612	1.793	16	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	C(C[6]C[6]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(N[6]C[6]2)(H)2	109.8780	0.000	1	109.8780	0.000	1	110.6098	2.006	27	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	111.3323	1.048	4	111.3323	1.099	4	110.6098	2.006	27	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6]C[6]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(N[6]C[6]2)(H)2	110.4325	0.939	8	110.5434	2.338	20	110.6098	2.006	27	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6]C[6]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2)(N[6]C[6]2)(H)2	110.6172	1.861	12	110.5434	2.338	20	110.6098	2.006	27	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[6]C[6]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]2)(N[6]C[6]2)(H)2	110.1950	1.168	2	110.1950	1.365	2	110.6098	2.006	27	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	109.8890	0.000	1	109.3610	0.558	2	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	108.8330	0.000	1	109.3610	0.558	2	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.2010	0.052	2	111.2010	0.003	2	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.4500	0.000	1	111.4500	0.000	1	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[5,6]CO)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]CO)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.4370	0.000	1	110.4370	0.000	1	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.0930	0.000	1	110.0930	0.000	1	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.2900	0.000	1	112.2900	0.000	1	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.4690	0.000	1	112.4690	0.000	1	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	108.1260	0.000	1	108.1260	0.000	1	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.7163	1.721	10	111.3215	2.820	13	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	109.4790	0.000	1	111.3215	2.820	13	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.2685	0.112	2	111.3215	2.820	13	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[5a,6]CH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	109.5980	0.000	1	109.5980	0.000	1	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	113.5640	0.000	1	112.0025	4.877	2	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.4410	0.000	1	112.0025	4.877	2	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.3320	0.000	1	111.6960	0.265	2	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.0600	0.000	1	111.6960	0.265	2	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[6,6a]CH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6,6a]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.0260	0.000	1	112.0260	0.000	1	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.9080	0.000	1	110.4610	2.957	4	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.3090	0.000	1	110.4610	2.957	4	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	109.6510	0.000	1	110.4610	2.957	4	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	108.9760	0.000	1	110.4610	2.957	4	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	108.9470	0.000	1	108.9470	0.000	1	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.1480	1.676	2	110.1480	2.808	2	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.1065	2.435	2	109.1037	5.981	3	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	107.0980	0.000	1	109.1037	5.981	3	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	109.5690	0.000	1	109.5690	0.000	1	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]HH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.6790	0.000	1	112.6790	0.000	1	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.1287	0.920	4	111.1287	0.847	4	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]O[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]O[6]HH)(CC[6a]HH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<2>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.7740	0.000	1	111.7740	0.000	1	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	108.4370	0.000	1	108.4370	0.000	1	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.7990	0.000	1	109.8222	1.414	5	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	109.5780	1.220	4	109.8222	1.414	5	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.9260	0.057	2	110.9260	0.003	2	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.1270	0.000	1	110.5403	0.981	10	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|H<1>,2|C<4>,2|F<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.3510	0.000	1	110.5403	0.981	10	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.6156	1.107	8	110.5403	0.981	10	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]ClC)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){2|Cl<1>,1|F<1>,2|C<4>}	C[6](C[6]C[6]ClC)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.4280	0.000	1	112.4280	0.000	1	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]ClF)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){2|Cl<1>,1|F<1>,2|C<4>}	C[6](C[6]C[6]ClF)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	109.9580	0.000	1	109.9580	0.000	1	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]FF)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|H<1>,2|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.8290	0.000	1	110.8290	0.000	1	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	110.6695	0.169	2	110.6695	0.029	2	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	109.6440	0.000	1	110.5308	1.107	85	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	109.6935	1.086	4	110.5308	1.107	85	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	109.8915	1.191	2	110.5308	1.107	85	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.3508	1.426	8	110.5308	1.107	85	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.5405	0.469	2	110.5308	1.107	85	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.1370	0.000	1	110.5308	1.107	85	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.8683	1.781	3	110.5308	1.107	85	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.5495	0.288	2	110.5308	1.107	85	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.8850	1.075	2	110.5308	1.107	85	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	109.7290	0.939	2	110.5308	1.107	85	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.5047	0.753	20	110.5308	1.107	85	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.8654	1.148	28	110.5308	1.107	85	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|F<1>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.5265	0.145	2	110.5308	1.107	85	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.1979	1.053	8	110.5308	1.107	85	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HI)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]HI)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	109.6200	0.386	2	109.6200	0.149	2	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.8885	0.736	2	111.8885	0.542	2	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]C[6]N[5]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]C)(H)2{1|N<3>,3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.0990	0.000	1	111.0990	0.000	1	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]N[5a]C[6]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.4490	0.000	1	110.4490	0.000	1	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.5840	0.000	1	111.5840	0.000	1	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a,6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a,6a]2)(N[6]C[6]2)(H)2	110.7450	0.429	2	110.6340	0.303	4	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a,6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(C[6a]C[6a,6a]2)(N[6]C[6]2)(H)2	110.5230	0.822	2	110.6340	0.303	4	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	111.1540	0.834	4	111.1540	0.696	4	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.4270	0.000	1	111.0696	1.350	206	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.7639	1.070	40	111.0696	1.350	206	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.8970	1.686	4	111.0696	1.350	206	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.1668	1.122	137	111.0696	1.350	206	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.5590	0.661	8	111.0696	1.350	206	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	110.7769	1.352	16	111.0696	1.350	206	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	112.2690	0.424	2	112.2690	0.180	2	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]O[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]O[6a])(N[6]C[6]2)(H)2	112.9640	0.772	2	111.8143	2.010	4	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]O[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(C[6a]C[6a]O[6a])(N[6]C[6]2)(H)2	110.6645	0.383	2	111.8143	2.010	4	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.1325	0.558	2	111.1325	0.311	2	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	111.8525	0.309	2	111.8525	0.095	2	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	111.1395	0.095	2	111.1395	0.009	2	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.0357	1.362	83	111.0357	1.856	83	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|Re<6>,1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|C<3>,1|N<4>,3|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	114.1970	0.000	1	114.1970	0.000	1	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	109.3045	0.624	2	109.3045	0.390	2	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	109.1175	0.986	2	109.1175	0.973	2	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	108.6720	0.000	1	108.6720	0.000	1	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	109.5795	0.155	2	109.1715	0.234	4	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	108.7635	0.114	2	109.1715	0.234	4	110.8951	1.573	480	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[5]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	110.1670	1.335	2	110.1670	1.782	2	113.9613	2.216	54	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[5]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[5]C[5]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]2)(N[6]C[6]2)(H)2	113.2670	0.103	2	113.2670	0.011	2	113.9613	2.216	54	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[5]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	113.7490	2.030	16	114.0412	2.872	26	113.9613	2.216	54	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[5]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	114.5087	0.846	10	114.0412	2.872	26	113.9613	2.216	54	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[5]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[5]C[5,6a]C[5])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[5]C[5,6a]C[5])(N[6]C[6]2)(H)2	114.1650	0.270	2	114.1650	0.073	2	113.9613	2.216	54	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[5]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[5]C[5]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[5]C[5]2)(N[6]C[6]2)(H)2	114.6197	0.567	4	114.6197	0.321	4	113.9613	2.216	54	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[5]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	114.1757	0.777	18	114.1757	0.604	18	113.9613	2.216	54	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	113.4430	0.000	1	111.0637	4.422	3	112.9783	5.417	23	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	109.8740	0.594	2	111.0637	4.422	3	112.9783	5.417	23	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	111.7955	2.597	6	111.7955	6.746	6	112.9783	5.417	23	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[5a]C[5a,6a]N[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(N[6]C[6]2)(H)2	114.0955	0.510	2	114.0955	0.260	2	112.9783	5.417	23	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(N[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	114.1460	0.219	2	114.1460	0.048	2	112.9783	5.417	23	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	114.3833	1.747	6	114.3833	3.051	6	112.9783	5.417	23	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5a]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	110.7255	2.222	2	110.7255	4.939	2	112.9783	5.417	23	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[5a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[5a]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[5a]N[5a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[5a]N[5a]2)(N[6]C[6]2)(H)2	115.1520	0.219	2	115.1520	0.048	2	112.9783	5.417	23	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	C(N[6]C[6]2)(CNO)(H)2	111.4190	0.000	1	111.4190	0.000	1	110.7715	1.553	67	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCC)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2)(CCC)(H)2	109.1650	0.000	1	109.1650	0.000	1	110.7715	1.553	67	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[4]O)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(CC[4]O)(H)2	110.0980	0.540	2	110.0980	0.292	2	110.7715	1.553	67	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(CNO)(H)2	110.7900	0.622	2	110.7900	0.387	2	110.7715	1.553	67	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[5]O)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(CN[5]O)(H)2	111.8600	0.184	2	111.8600	0.034	2	110.7715	1.553	67	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[6]O)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(CN[6]O)(H)2	110.1695	1.752	2	110.1695	3.068	2	110.7715	1.553	67	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCC)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2)(CCC)(H)2	110.9950	0.961	6	110.9950	0.924	6	110.7715	1.553	67	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(CCH)(H)2	110.2550	0.943	2	109.9582	0.485	4	110.7715	1.553	67	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2)(CCH)(H)2	109.6615	0.460	2	109.9582	0.485	4	110.7715	1.553	67	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<2>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(CHH)(H)2	109.4545	3.987	2	109.4545	15.899	2	110.7715	1.553	67	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(CNO)(H)2	110.9112	0.972	12	111.0626	1.666	18	110.7715	1.553	67	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C(N[6]C[6]2)(CNO)(H)2	109.3495	1.470	2	111.0626	1.666	18	110.7715	1.553	67	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2)(CNO)(H)2	112.3730	0.959	4	111.0626	1.666	18	110.7715	1.553	67	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[6]O)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(CN[6]O)(H)2	110.6141	0.940	8	110.4863	1.059	10	110.7715	1.553	67	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[6]O)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(N[6]C[6]2)(CN[6]O)(H)2	109.9750	1.640	2	110.4863	1.059	10	110.7715	1.553	67	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(COO)(H)2	111.2605	0.480	2	111.2605	0.231	2	110.7715	1.553	67	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCN)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(CCN)(H)2	110.8718	0.569	6	110.8718	0.324	6	110.7715	1.553	67	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[4]N)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(CC[4]N)(H)2	112.8505	0.654	2	112.8505	0.428	2	110.7715	1.553	67	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(CNO)(H)2	111.8625	0.402	2	111.8625	0.162	2	110.7715	1.553	67	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[4]O)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|S<2>,4|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(CC[4]O)(H)2	110.3295	0.431	2	110.3295	0.185	2	110.7715	1.553	67	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[6]O)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|S<2>,4|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(CN[6]O)(H)2	109.5785	2.070	2	109.5785	4.284	2	110.7715	1.553	67	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(COO)(H)2	109.5790	0.000	1	109.5790	0.000	1	110.7715	1.553	67	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NNiC)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN){1|Ni<5>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<4>,4|H<1>}	C(N[6]C[6]2)(NNiC)(H)2	116.0770	0.000	1	116.0770	0.000	1	116.0770	0.000	1	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	C(N[6]C[6]2)2(H)2	111.8300	1.754	8	111.8300	3.076	8	111.5758	2.290	28	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)2(H)2	N[6](C[6]C[6]HH)2(CN[6]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(N[6]C[6]2)2(H)2	110.3648	0.879	4	110.3648	0.773	4	111.5758	2.290	28	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[6]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)2(H)2	N[6](C[6]C[6]HH)2(CN[6]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2)2(H)2	110.8451	1.179	8	111.7514	2.072	16	111.5758	2.290	28	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[6]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)2(H)2	N[6](C[6]C[6]HH)2(CN[6]HH){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)2(H)2	112.6578	1.084	8	111.7514	2.072	16	111.5758	2.290	28	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:P-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CHHP)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(PCC)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2)(PCC)(H)2	111.0069	1.527	8	111.0069	2.333	8	111.1108	1.490	14	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:P-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CHHP)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(PCC)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(PCC)(H)2	111.2493	0.754	6	111.2493	0.568	6	111.1108	1.490	14	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CN[6a]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[6a]HH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	115.1705	0.156	2	115.1705	0.024	2	115.1705	0.024	2	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CC[6]HH)	C[6](N[6]C[6]CuC)(N[6]C[6]C)(H)2	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[6]HH){1|Cu<5>,3|C<4>}	C[6](N[6]C[6]CuC)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	117.1280	0.000	1	117.1280	0.000	1	117.1280	0.000	1	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CC[6a]HH)	C[6](N[6]C[6]CuC)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH){2|Cu<2>,3|C<4>}	C[6](N[6]C[6]CuC)(N[6]C[6]C)(H)2{1|N<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	113.8035	1.262	2	113.8035	1.593	2	112.4127	6.600	3	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CC[6a]HH)	C[6](N[6]C[6]CuC)(N[6]C[6]C)(H)2	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH){1|Cu<5>,3|C<4>}	C[6](N[6]C[6]CuC)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	109.6310	0.000	1	109.6310	0.000	1	112.4127	6.600	3	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)	C[6](N[6]C[6]NiC)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NNiC)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN){1|Ni<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]NiC)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(NNiC)(H)2	116.3020	0.000	1	116.3020	0.000	1	116.3020	0.000	1	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	P[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH)	C[6](P[6]C[6]PdC)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH){1|Pd<4>,3|C<4>}	C[6](P[6]C[6]PdC)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	109.4830	0.829	2	109.4830	0.687	2	109.4830	0.687	2	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:P[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6]C[6]HH)(P[6]N[6]NN)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2	C(N[6]C[6]P[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]HH)(P[6]N[6]NN)(CC[6a]HH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2{1|N<3>,2|H<1>,2|N<2>}	C(N[6]C[6]P[6])(C[6a]C[6a]2)(H)2	114.5936	2.292	5	114.5936	5.254	5	114.5936	5.254	5	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:S[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH)	C[6](C[6]C[6]CH)(N[6]S[6]C)(H)2	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]S[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	115.3240	0.000	1	115.3240	0.000	1	114.6175	0.998	2	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[6]-4:S[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]S[6]C)(H)2	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]S[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	113.9110	0.000	1	113.9110	0.000	1	114.6175	0.998	2	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:1:1:	S[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](S[6]C[6,6]OO)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6,6]HH)(N[6]S[6]C)(H)2	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](S[6]C[6,6]OO)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]S[6]C)(H)2{1|H<1>,2|C<4>,2|O<1>}	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	115.4110	0.058	2	115.4110	0.003	2	115.4110	0.003	2	111.3225	3.072	822	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:2:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-2:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CC)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CC)(H)	111.9935	0.124	2	111.9935	0.015	2	111.9935	0.015	2	111.9935	0.015	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[6]-3:H-1:	N[6](CC[5a]C[6a]H)(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](CC[5a]C[6a]H)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	112.1560	0.857	2	112.1560	0.734	2	112.1560	0.734	2	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[5]-3:N[6]-3:H-1:	N[6](CC[6a]N[5]H)(C[6]C[6]HH)2	C[6](C[6]Se[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(N[6]C[6]2)(H)	N[6](CC[6a]N[5]H)(C[6]C[6]HH)2{1|Se<2>,4|H<1>}	C[6](C[6]Se[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(N[6]C[6]2)(H)	113.1170	3.189	2	113.1170	10.170	2	113.1170	10.170	2	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	N[6](CC[6a]N[6]H)(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)2(H)	N[6](CC[6a]N[6]H)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)2(H)	113.1942	1.197	4	113.1942	1.433	4	113.2878	3.630	16	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	N[6](CC[6a]N[6]H)(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)2(H)	N[6](CC[6a]N[6]H)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)2(H)	113.3190	2.134	12	113.3190	4.554	12	113.2878	3.630	16	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]2H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6,6]HH)2(CC[6a]2H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	111.1068	0.594	4	111.1068	0.353	4	111.1068	0.353	4	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:C-3:H-1:	N[6](C[6]C[6]HH)2(CC[5a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[5a]N[5a]2)(N[6]C[6]2)(CNO)(H)	N[6](C[6]C[6]HH)2(CC[5a]CH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[5a]N[5a]2)(N[6]C[6]2)(CNO)(H)	111.8037	1.330	4	111.8037	1.769	4	111.8037	1.769	4	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]2H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]2H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	115.2350	0.000	1	115.2350	0.000	1	111.4750	2.494	99	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	109.0570	0.133	2	109.0570	0.018	2	111.4750	2.494	99	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	110.7132	1.649	6	111.5321	4.328	8	111.4750	2.494	99	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	113.9890	0.775	2	111.5321	4.328	8	111.4750	2.494	99	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	111.3453	1.267	20	111.4281	2.045	74	111.4750	2.494	99	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	110.7275	0.258	2	111.4281	2.045	74	111.4750	2.494	99	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	109.7965	0.821	2	111.4281	2.045	74	111.4750	2.494	99	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	111.3610	1.040	10	111.4281	2.045	74	111.4750	2.494	99	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	111.4991	1.029	10	111.4281	2.045	74	111.4750	2.494	99	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Cu<4>,1|C<4>,3|H<1>}	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	112.4617	1.767	8	111.4281	2.045	74	111.4750	2.494	99	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Cu<4>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	111.9815	4.085	2	111.4281	2.045	74	111.4750	2.494	99	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	111.2734	1.523	20	111.4281	2.045	74	111.4750	2.494	99	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	112.1405	1.654	8	112.1405	2.736	8	111.4750	2.494	99	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	110.5667	1.819	4	110.5667	3.309	4	111.4750	2.494	99	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]2H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]2H){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	112.6740	0.091	2	112.6740	0.008	2	111.4750	2.494	99	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-3:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[3]O)(H)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[3]O)(H)	109.7570	0.000	1	109.7570	0.000	1	111.3936	3.393	9	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-3:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(COO)(H)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(COO)(H)	111.4870	3.055	2	111.4870	9.331	2	111.3936	3.393	9	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-3:H-1:	N[6](C[6]C[6]HH)2(CC[6a]CH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CCH)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CCH)(H)	110.8935	0.886	2	110.8935	0.785	2	111.3936	3.393	9	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-3:H-1:	N[6](C[6]C[6]HH)2(CC[6a]CH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CCN)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CCN)(H)	112.0060	2.027	4	112.0060	4.110	4	111.3936	3.393	9	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N-3:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(NCC)(H)	N[6](C[6]C[6]HH)2(CC[6a]HN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(NCC)(H)	113.1010	0.154	2	113.1010	0.024	2	113.2955	1.497	8	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N-3:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(NCH)(H)	N[6](C[6]C[6]HH)2(CC[6a]HN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(NCH)(H)	112.4305	0.517	2	112.4305	0.267	2	113.2955	1.497	8	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N-3:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[5a]H)(H)	N[6](C[6]C[6]HH)2(CC[6a]HN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[5a]H)(H)	114.6220	2.035	2	114.6220	4.141	2	113.2955	1.497	8	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N-3:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(NCH)(H)	N[6](C[6]C[6]HH)2(CC[6a]HN){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(NCH)(H)	113.0285	0.903	2	113.0285	0.815	2	113.2955	1.497	8	111.8036	2.970	144	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:3:3:	C-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:N[6]-3:	N[6](CC[5a]C[6a]2)(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	N[6](CC[5a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	115.0330	1.584	2	115.0330	2.509	2	115.0330	2.509	2	115.0330	2.509	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C-4:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	111.2940	0.000	1	111.2940	0.000	1	111.2940	0.000	1	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC[6a]CH)	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(H)2	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3)(H)	109.5000	0.000	1	109.5000	0.000	1	109.6670	0.056	2	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC[6a]CH)	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	109.8340	0.000	1	109.8340	0.000	1	109.6670	0.056	2	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	111.1900	0.000	1	111.1900	0.000	1	110.9135	0.153	2	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	110.6370	0.000	1	110.6370	0.000	1	110.9135	0.153	2	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6]HH)2(CC[6a]CH)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6,6]HH)2(CC[6a]CH){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	113.4737	2.774	4	113.4737	7.697	4	113.4737	7.697	4	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	B[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CB[6a]CH)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(B[6a]N[6a]2)(N[6]C[6]2)(CC[6a]HH)(H)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CB[6a]CH){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	C(B[6a]N[6a]2)(N[6]C[6]2)(CC[6a]HH)(H)	109.7630	0.000	1	109.7630	0.000	1	109.7630	0.000	1	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]HH)2(CC[5a]CH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CC[5a]HO)(H)	N[6](C[6]C[6]HH)2(CC[5a]CH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CC[5a]HO)(H)	112.9000	1.885	2	112.9000	3.554	2	112.9000	3.554	2	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]HH)2(CC[6]CH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[6]C[6]2)(N[6]C[6]2)(CC[6a]HO)(H)	N[6](C[6]C[6]HH)2(CC[6]CH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]2)(N[6]C[6]2)(CC[6a]HO)(H)	111.3355	1.077	2	111.3355	1.160	2	111.3355	1.160	2	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	111.9980	0.000	1	112.1680	0.058	2	112.8200	2.391	36	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	112.3380	0.000	1	112.1680	0.058	2	112.8200	2.391	36	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	111.8020	0.000	1	111.8020	0.000	1	112.8200	2.391	36	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]N[5,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	111.9000	0.000	1	111.9000	0.000	1	112.8200	2.391	36	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<2>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	110.4045	0.317	2	112.5930	6.659	4	112.8200	2.391	36	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	114.7815	0.848	2	112.5930	6.659	4	112.8200	2.391	36	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<2>,2|C<4>,2|O<2>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	114.3190	0.000	1	114.3190	0.000	1	112.8200	2.391	36	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|H<1>,2|O<2>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	112.2280	0.000	1	112.2280	0.000	1	112.8200	2.391	36	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	110.9720	0.000	1	111.2445	0.348	4	112.8200	2.391	36	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	110.5530	0.000	1	111.2445	0.348	4	112.8200	2.391	36	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	111.6130	0.000	1	111.2445	0.348	4	112.8200	2.391	36	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	111.8400	0.000	1	111.2445	0.348	4	112.8200	2.391	36	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	113.4700	0.000	1	113.4700	0.000	1	112.8200	2.391	36	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]HH)2(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]FH)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]FH)(H)	113.2055	1.618	4	113.2055	2.616	4	112.8200	2.391	36	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]HH)2(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	111.9210	0.082	2	111.9210	0.007	2	112.8200	2.391	36	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]HH)2(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CHHO)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CHHO)(H)	112.7225	1.573	2	112.7225	2.475	2	112.8200	2.391	36	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]HH)2(CC[6a]CH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CCCH)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CCCH)(H)	113.7645	2.347	2	113.7645	5.508	2	112.8200	2.391	36	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]HH)2(CC[6a]CH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CCHO)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CCHO)(H)	115.3400	1.503	2	115.3400	2.260	2	112.8200	2.391	36	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]HH)2(CC[6a]CH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	112.6285	0.684	2	112.6285	0.468	2	112.8200	2.391	36	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]HH)2(CC[6a]CH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(CCHH)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(CCHH)(H)	114.1075	2.300	2	114.1075	5.291	2	112.8200	2.391	36	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	112.8648	0.830	5	112.8648	0.689	5	112.8200	2.391	36	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:C-4:H-1:	N[6](C[6]C[6]HH)2(CCCH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]O)(CH3)(H)	N[6](C[6]C[6]HH)2(CCCH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(CC[6a]O)(CH3)(H)	113.2820	1.445	2	113.2820	2.089	2	113.0450	1.480	6	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:C-4:H-1:	N[6](C[6]C[6]HH)2(CCCH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[6]O)(CH3)(H)	N[6](C[6]C[6]HH)2(CCCH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(CN[6]O)(CH3)(H)	114.0555	0.207	2	114.0555	0.043	2	113.0450	1.480	6	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:C-4:H-1:	N[6](C[6]C[6]HH)2(CCCH)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[6]O)(CH3)(H)	N[6](C[6]C[6]HH)2(CCCH){1|S<2>,4|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(CN[6]O)(CH3)(H)	111.7975	0.012	2	111.7975	0.000	2	113.0450	1.480	6	112.5781	2.929	56	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C(N[6]C[5,6,6]C[6])(CH3)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH){1|O<2>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(N[6]C[5,6,6]C[6])(CH3)(H)2	112.1000	0.000	1	112.0095	0.016	2	110.7271	1.286	18	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C(N[6]C[5,6,6]C[6])(CH3)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH){1|O<2>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{4|C<4>,4|H<1>}	C(N[6]C[5,6,6]C[6])(CH3)(H)2	111.9190	0.000	1	112.0095	0.016	2	110.7271	1.286	18	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[5,6,6]C)(H)2	C(N[6]C[5,6,6]C[6])(CH3)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,1|O<2>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[5,6,6]C)(H)2{4|C<4>,4|H<1>}	C(N[6]C[5,6,6]C[6])(CH3)(H)2	111.6790	0.000	1	111.6790	0.000	1	110.7271	1.286	18	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C(N[6]C[5,6,6]C[6])(CH3)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(N[6]C[5,6,6]C[6])(CH3)(H)2	110.1844	1.346	7	110.4597	1.389	13	110.7271	1.286	18	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C(N[6]C[5,6,6]C[6])(CH3)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(N[6]C[5,6,6]C[6])(CH3)(H)2	110.5370	0.000	1	110.4597	1.389	13	110.7271	1.286	18	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C(N[6]C[5,6,6]C[6])(CH3)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{4|C<4>,4|H<1>}	C(N[6]C[5,6,6]C[6])(CH3)(H)2	110.8296	1.070	5	110.4597	1.389	13	110.7271	1.286	18	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[5,6,6]C)(H)2	C(N[6]C[5,6,6]C[6])(CH3)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,1|O<2>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[5,6,6]C)(H)2{4|C<4>,4|H<1>}	C(N[6]C[5,6,6]C[6])(CH3)(H)2	110.7070	0.238	2	110.7070	0.056	2	110.7271	1.286	18	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(CHHO)(H)2	N[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(CCHH){1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2{1|C<4>,3|C<3>}	C(N[6]C[6,6]C[6])(CHHO)(H)2	109.6630	0.000	1	109.6630	0.000	1	109.6630	0.000	1	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[3]-4:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(C[3]C[3]2H)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6])(C[3]C[3]2H)(H)2	111.0970	2.459	2	111.0970	6.048	2	111.3535	2.613	4	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[3]-4:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(C[3]C[3]2H)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6])(C[3]C[3]2H)(H)2	111.6100	1.236	2	111.6100	1.528	2	111.3535	2.613	4	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	110.4190	0.000	1	110.4190	0.000	1	110.4190	0.000	1	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C(N[6]C[6]2)(CH3)(H)2	111.9053	1.014	3	111.9053	1.028	3	112.3560	1.498	4	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(H)2{1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	113.7080	0.000	1	113.7080	0.000	1	112.3560	1.498	4	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHO)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(N[6]C[6]2)(CCHO)(H)2	108.8825	0.060	2	108.8825	0.004	2	110.4500	4.624	4	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	112.0175	2.010	2	112.0175	4.041	2	110.4500	4.624	4	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	108.7180	0.000	1	108.7180	0.000	1	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	116.7060	0.000	1	116.7060	0.000	1	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]2)(CCHH)(H)2	107.5550	0.000	1	107.5550	0.000	1	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CCHH){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	C(N[6]C[6]2)(CHHO)(H)2	110.6025	2.368	2	110.6025	5.608	2	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	112.6140	0.000	1	112.6140	0.000	1	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]2)(CH3)(H)2	113.1340	0.000	1	113.1340	0.000	1	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHN)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2)(CCHN)(H)2	111.5960	0.000	1	111.5960	0.000	1	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	111.9570	0.000	1	111.9570	0.000	1	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<4>}	C(N[6]C[6]2)(CHHO)(H)2	112.9110	0.000	1	112.9110	0.000	1	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHS)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	C(N[6]C[6]2)(CHHS)(H)2	110.8190	2.225	2	110.8190	4.949	2	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[5a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(N[6]C[6]2)(CC[5a]HH)(H)2	115.1970	0.000	1	115.1970	0.000	1	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]HO)(H)2	N[6](C[6]C[6]HH)2(CCHH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(N[6]C[6]2)(CC[6a]HO)(H)2	111.5463	0.687	3	111.5463	0.472	3	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	110.3358	0.875	6	110.6595	1.360	42	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	110.6118	1.495	6	110.6595	1.360	42	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	110.9892	0.961	8	110.6595	1.360	42	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	110.7356	1.236	20	110.6595	1.360	42	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	109.6930	1.319	2	110.6595	1.360	42	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(CCHO)(H)2	110.7990	1.541	4	110.7990	2.375	4	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[5]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(CC[5]HH)(H)2	110.8755	1.432	8	110.8755	2.051	8	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(CC[6]HH)(H)2	111.4020	0.639	2	111.4020	0.409	2	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2)(CC[6a]HH)(H)2	111.6527	0.520	4	111.1195	1.381	8	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(N[6]C[6]2)(CC[6a]HH)(H)2	110.5863	1.481	4	111.1195	1.381	8	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]HO)(H)2	N[6](C[6]C[6]HH)2(CCHH){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(N[6]C[6]2)(CC[6a]HO)(H)2	112.4450	1.939	3	112.4450	3.761	3	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(CHHN)(H)2	111.5299	1.273	16	111.5299	1.622	16	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(N[6]C[6]2)(CHHO)(H)2	110.8125	1.774	4	110.9707	3.497	58	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(CHHO)(H)2	110.9824	1.892	54	110.9707	3.497	58	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHS)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(CHHS)(H)2	115.6225	1.696	2	115.6225	2.878	2	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[5a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(CN[5a]HH)(H)2	112.5533	0.411	4	112.5533	0.169	4	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(CN[6]HH)(H)2	110.0315	1.730	2	110.0315	2.994	2	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC3)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(CC3)(H)2	112.5133	1.575	10	112.5133	2.479	10	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	110.6256	1.434	34	110.5380	1.969	96	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	110.4762	1.406	58	110.5380	1.969	96	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	110.6340	1.725	2	110.5380	1.969	96	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	110.7440	1.704	2	110.5380	1.969	96	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(CCHO)(H)2	110.2985	1.508	2	110.6008	3.407	4	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2)(CCHO)(H)2	110.9030	2.753	2	110.6008	3.407	4	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(CC[6a]HH)(H)2	111.2032	1.118	6	111.2032	1.250	6	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CClHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(CClHH)(H)2	111.2017	1.547	6	111.2017	2.393	6	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(CH3)(H)2	110.6963	1.407	14	110.8452	2.149	26	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2)(CH3)(H)2	111.0190	1.576	12	110.8452	2.149	26	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(CHHN)(H)2	111.1935	0.759	4	111.4585	1.921	30	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2)(CHHN)(H)2	111.0393	1.030	10	111.4585	1.921	30	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(CHHN)(H)2	111.4158	1.357	14	111.4585	1.921	30	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C(N[6]C[6]2)(CHHN)(H)2	114.3830	1.150	2	111.4585	1.921	30	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(CHHO)(H)2	111.0072	1.400	4	110.9789	2.039	28	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(N[6]C[6]2)(CHHO)(H)2	110.7885	1.981	2	110.9789	2.039	28	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2)(CHHO)(H)2	111.1737	1.302	16	110.9789	2.039	28	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2)(CHHO)(H)2	110.5042	1.885	6	110.9789	2.039	28	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHP)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2)(CHHP)(H)2	112.5295	0.605	2	112.5295	0.366	2	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHS)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2)(CHHS)(H)2	111.8285	1.432	2	111.8285	2.050	2	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2)(CN[5]HH)(H)2	111.3535	1.891	6	111.3535	3.577	6	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	111.3201	1.940	30	111.3201	3.765	30	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(CCHO)(H)2	112.8805	0.552	2	112.8805	0.305	2	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[5]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(CC[5]HH)(H)2	111.9825	2.174	2	111.9825	4.728	2	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6]HS)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(CC[6]HS)(H)2	111.0445	1.344	2	111.0445	1.807	2	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(CC[6a]HH)(H)2	109.9490	2.383	2	109.9490	5.678	2	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(CHHN)(H)2	111.6191	1.797	60	111.6191	3.229	60	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(CHHO)(H)2	110.8469	1.437	16	110.8469	2.064	16	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(CN[5]HH)(H)2	112.0901	1.320	12	112.0901	1.743	12	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[5a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(CN[5a]HH)(H)2	110.6640	1.588	4	110.6640	2.523	4	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(CN[6]HH)(H)2	111.4426	1.222	8	111.4426	1.493	8	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[6a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(CN[6a]HH)(H)2	111.7210	1.551	2	111.7210	2.407	2	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHS)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|S<2>,4|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(CHHS)(H)2	111.4402	1.091	4	111.4402	1.190	4	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(CHHN)(H)2	110.8180	0.000	1	110.8180	0.000	1	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	114.6190	0.000	1	114.6190	0.000	1	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	C(N[6]C[6]2)(CN[6]HH)(H)2	112.7458	1.872	4	112.7458	3.506	4	111.1632	2.702	531	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NNiCH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN){1|Ni<5>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<4>,4|H<1>}	C(N[6]C[6]2)(NNiCH)(H)2	117.3770	0.000	1	117.3770	0.000	1	117.3770	0.000	1	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:P-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CHHP)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(PCCO)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2)(PCCO)(H)2	111.4890	0.689	2	111.4890	0.474	2	111.7755	3.436	52	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:P-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CHHP)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(PC[6a]2O)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(PC[6a]2O)(H)2	110.8375	2.091	4	110.8375	4.372	4	111.7755	3.436	52	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:P-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CHHP)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(PCCO)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(PCCO)(H)2	110.8463	0.690	6	110.8463	0.476	6	111.7755	3.436	52	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:P-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CHHP)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(PCCS)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(PCCS)(H)2	111.9435	0.769	6	111.9435	0.591	6	111.7755	3.436	52	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:P-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CHHP)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(PCuCC)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(PCuCC)(H)2	112.6366	2.513	18	112.6366	6.317	18	111.7755	3.436	52	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:P-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CHHP)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(PRuCH)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(PRuCH)(H)2	111.1490	2.248	4	111.1490	5.054	4	111.7755	3.436	52	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:P-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CHHP)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(PSeCC)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(PSeCC)(H)2	111.4339	0.873	12	111.4339	0.762	12	111.7755	3.436	52	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CHHS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SO3)(H)2	N[6](C[6]C[6]HH)2(CHHS){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2)(SO3)(H)2	116.4140	0.314	2	116.4140	0.099	2	116.4140	0.099	2	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	N[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]N[6,6]HH)2(CCHH)	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]N[6,6]HH)2(CCHH){4|C<4>}	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	C(N[6]C[6]2)(CN[6]HH)(H)2	117.0140	0.110	2	117.0140	0.012	2	117.0140	0.012	2	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-4:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)	C[6](N[6]C[6]NiC)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NNiCH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN){1|Ni<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]NiC)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(NNiCH)(H)2	115.1400	0.000	1	115.1400	0.000	1	115.1400	0.000	1	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:P[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[5]-4:H-1:H-1:	N[6](C[6]C[6]HH)(P[6]O[6]NN)(CC[5]HH)	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2	C(N[6]C[6]P[6])(C[5]C[5]2Fe)(H)2	N[6](C[6]C[6]HH)(P[6]O[6]NN)(CC[5]HH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2{1|O<2>,2|H<1>,2|N<2>}	C(N[6]C[6]P[6])(C[5]C[5]2Fe)(H)2	116.2230	0.000	1	116.2230	0.000	1	116.2230	0.000	1	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:S[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]HH)(S[6]C[6]OO)(CCHH)	C[6](C[6]C[6]HS)(N[6]S[6]C)(H)2	C(N[6]C[6]S[6])(CCHH)(H)2	N[6](C[6]C[6]HH)(S[6]C[6]OO)(CCHH){1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[6]HS)(N[6]S[6]C)(H)2{1|C<4>,2|H<1>,2|O<1>}	C(N[6]C[6]S[6])(CCHH)(H)2	116.0770	0.000	1	116.0770	0.000	1	116.0770	0.000	1	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:1:1:	S[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[5a,6]HN)(N[6]S[6]C)(H)2	C(N[6]C[6]S[6])(CCHH)(H)2	N[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CCHH){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[5a,6]HN)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	C(N[6]C[6]S[6])(CCHH)(H)2	114.8020	0.000	1	114.8020	0.000	1	114.8020	0.000	1	111.2761	3.086	624	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:3:1:	C-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6](CC[6a]C[6]H)(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(N[6]C[6]2)(H)	N[6](CC[6a]C[6]H)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(N[6]C[6]2)(H)	114.3760	3.526	2	114.3760	12.430	2	114.3760	12.430	2	114.1932	6.636	9	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	N[6](C[6]C[6]HH)2(CCCH)	C[6](C[6]C[5a]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[5a]HH)(COO)(H)	N[6](C[6]C[6]HH)2(CCCH){2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(CC[5a]HH)(COO)(H)	119.2730	0.000	1	119.2730	0.000	1	114.1410	6.762	7	114.1932	6.636	9	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	N[6](C[6]C[6]HH)2(CCCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[5a]HH)(COO)(H)	N[6](C[6]C[6]HH)2(CCCH){2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(CC[5a]HH)(COO)(H)	113.0460	0.000	1	113.0460	0.000	1	114.1410	6.762	7	114.1932	6.636	9	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	N[6](C[6]C[6]HH)2(CCCH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(COO)(H)	N[6](C[6]C[6]HH)2(CCCH){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2)(CCHH)(COO)(H)	113.2855	2.985	2	113.2855	8.908	2	114.1410	6.762	7	114.1932	6.636	9	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCCH)(COO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(N[6]C[6]2)(CCCH)(COO)(H)	113.3657	0.656	3	113.3657	0.430	3	114.1410	6.762	7	114.1932	6.636	9	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:3:4:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-3:C-4:	N[6](C[6]C[6]HH)2(CC3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]CH)(CN[6]O)(CH3)	N[6](C[6]C[6]HH)2(CC3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	C(N[6]C[6]2)(CC[6a]CH)(CN[6]O)(CH3)	114.4325	0.897	2	114.4325	0.805	2	114.4325	0.805	2	114.4325	0.805	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]C[6,6]HH)2(CCCH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6,6]HH)2(CCCH){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(N[6]C[6]2)(CH3)2(H)	109.6745	0.623	2	109.6745	0.388	2	109.6745	0.388	2	112.6652	4.497	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]C[6]HH)2(CCCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(CH3)(H)	N[6](C[6]C[6]HH)2(CCCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2)(CCHH)(CH3)(H)	112.0608	1.225	6	112.0608	1.500	6	113.1253	3.494	13	112.6652	4.497	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]C[6]HH)2(CCCH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHP)(CH3)(H)	N[6](C[6]C[6]HH)2(CCCH){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2)(CHHP)(CH3)(H)	113.4985	3.566	2	113.4985	12.716	2	113.1253	3.494	13	112.6652	4.497	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]C[6]HH)2(CCCH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(CCHS)(H)	N[6](C[6]C[6]HH)2(CCCH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(CCHH)(CCHS)(H)	115.2435	0.814	2	115.2435	0.662	2	113.1253	3.494	13	112.6652	4.497	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]C[6]HH)2(CCCH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)2(H)	N[6](C[6]C[6]HH)2(CCCH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(CCHH)2(H)	113.6975	2.068	2	113.6975	4.278	2	113.1253	3.494	13	112.6652	4.497	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(CCCH)	C[6](C[6]N[5,6]C[6a]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(CCCH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]N[5,6]C[6a]H)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(N[6]C[6]2)(CH3)2(H)	113.3850	0.000	1	113.3850	0.000	1	113.1253	3.494	13	112.6652	4.497	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:4:2:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:C-2:	N[6](C[6]C[6]HH)2(CC3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)2(CC)	N[6](C[6]C[6]HH)2(CC3){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(CH3)2(CC)	113.6925	0.319	2	113.6925	0.102	2	113.4770	0.085	6	113.4770	0.085	6	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:4:2:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:C-2:	N[6](C[6]C[6]HH)2(CC3)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHN)(CH3)(CC)	N[6](C[6]C[6]HH)2(CC3){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(N[6]C[6]2)(CCHN)(CH3)(CC)	113.3692	0.249	4	113.3692	0.062	4	113.4770	0.085	6	113.4770	0.085	6	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:4:4:	B[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2	C(N[6]B[6]C[6])(CH3)3	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]B[6]C[6])(CH3)3	113.3840	0.000	1	113.3840	0.000	1	113.3840	0.000	1	114.4271	1.463	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:4:4:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]C[6,6]HH)2(CC3)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHN)2(CH3)	N[6](C[6]C[6,6]HH)2(CC3){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C(N[6]C[6]2)(CHHN)2(CH3)	114.4555	2.312	2	114.4555	5.343	2	114.4555	5.343	2	114.4271	1.463	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:4:4:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]C[6]HH)2(CC3)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)3	N[6](C[6]C[6]HH)2(CC3){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(N[6]C[6]2)(CH3)3	113.4052	0.504	4	113.4052	0.254	4	114.5093	1.270	12	114.4271	1.463	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:4:4:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]C[6]HH)2(CC3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)3	N[6](C[6]C[6]HH)2(CC3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(N[6]C[6]2)(CH3)3	115.5063	0.477	6	115.5063	0.228	6	114.5093	1.270	12	114.4271	1.463	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	3:4:4:4:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]C[6]HH)2(CC3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)3	N[6](C[6]C[6]HH)2(CC3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2)(CH3)3	113.7265	0.057	2	113.7265	0.003	2	114.5093	1.270	12	114.4271	1.463	15	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:N[6]-3:H-1:H-1:	N[6](CC[5,6,6]HH)(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[5,6,6]C[5,6,6]C[5,6]2)(N[6]C[6]2)(H)2	N[6](CC[5,6,6]HH)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[5,6,6]C[5,6,6]C[5,6]2)(N[6]C[6]2)(H)2	111.1419	1.815	8	111.1419	3.293	8	111.1419	3.293	8	111.7664	3.427	83	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CCHH)	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]C)(H)2	C(CC[5,6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){1|Cl<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]C)(H)2{1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C(CC[5,6]HH)(N[6]C[6]2)(H)2	115.3250	0.000	1	115.3480	0.023	6	115.0279	0.436	12	111.7664	3.427	83	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CCHH)	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]C)(H)2	C(CC[5,6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C(CC[5,6]HH)(N[6]C[6]2)(H)2	115.3526	0.170	5	115.3480	0.023	6	115.0279	0.436	12	111.7664	3.427	83	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]Cl)(N[6]C[6]C)(H)2	C(CC[5,6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){1|Cl<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Cl)(N[6]C[6]C)(H)2{1|O<1>,3|C<4>,3|H<1>}	C(CC[5,6]HH)(N[6]C[6]2)(H)2	115.9210	0.000	1	115.9210	0.000	1	115.0279	0.436	12	111.7664	3.427	83	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]O)(N[6]C[6]C)(H)2	C(CC[5,6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(CC[5,6]HH)(N[6]C[6]2)(H)2	114.4652	0.649	5	114.4652	0.421	5	115.0279	0.436	12	111.7664	3.427	83	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[3]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[3]HH)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]C)(H)2	C(C[3]C[3]2H)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[3]HH){2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<4>,3|C<4>,4|H<1>}	C(C[3]C[3]2H)(N[6]C[6]2)(H)2	110.9845	1.826	2	110.9845	3.336	2	110.9845	3.336	2	111.7664	3.427	83	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[5]HH)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2	C(C[5]C[5]2Fe)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[5]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5]2Fe)(N[6]C[6]2)(H)2	112.6370	0.000	1	112.6370	0.000	1	112.6370	0.000	1	111.7664	3.427	83	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(CN[3x6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(CN[3x6]HH)(N[6]C[6]2)(H)2	111.4062	0.788	4	111.4062	0.621	4	111.4062	0.621	4	111.7664	3.427	83	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[5]C[5]2Fe)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[5]C[5]2Fe)(N[6]C[6]2)(H)2	110.9338	0.755	6	110.9338	0.570	6	110.7686	1.471	42	111.7664	3.427	83	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	109.9565	1.328	4	110.3040	1.442	6	110.7686	1.471	42	111.7664	3.427	83	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	110.9990	0.686	2	110.3040	1.442	6	110.7686	1.471	42	111.7664	3.427	83	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	110.6153	1.090	16	110.8923	1.717	20	110.7686	1.471	42	111.7664	3.427	83	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	112.0005	1.701	4	110.8923	1.717	20	110.7686	1.471	42	111.7664	3.427	83	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	110.4558	0.725	4	110.4558	0.525	4	110.7686	1.471	42	111.7664	3.427	83	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	111.6150	1.019	4	111.6150	1.038	4	110.7686	1.471	42	111.7664	3.427	83	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]HH)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH){1|S<2>,4|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	109.3625	1.995	2	109.3625	3.979	2	110.7686	1.471	42	111.7664	3.427	83	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[6]C[6]2O)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]2O)(N[6]C[6]2)(H)2	112.1165	1.066	4	112.1165	1.137	4	112.1847	0.697	6	111.7664	3.427	83	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[6]C[6]O[6]O)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(N[6]C[6]2)(H)2	112.3210	0.140	2	112.3210	0.020	2	112.1847	0.697	6	111.7664	3.427	83	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	P-4:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CHHP)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(PC[6a]2Ru)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(PC[6a]2Ru)(N[6]C[6]2)(H)2	112.6902	0.418	8	112.6902	0.174	8	112.6902	0.174	8	111.7664	3.427	83	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[3]-4:N[6]-3:C-3:H-1:	N[6](C[6]C[6]HH)2(CC[3]CH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[3]C[3]N[3]H)(N[6]C[6]2)(CCH)(H)	N[6](C[6]C[6]HH)2(CC[3]CH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[3]C[3]N[3]H)(N[6]C[6]2)(CCH)(H)	111.6385	0.521	2	111.6385	0.272	2	111.6385	0.272	2	111.6385	0.272	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:2:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:C-2:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(CN)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(CN)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	107.5980	0.000	1	107.5980	0.000	1	110.7025	19.276	2	110.7025	19.276	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:2:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:C-2:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CN)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CN)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	113.8070	0.000	1	113.8070	0.000	1	110.7025	19.276	2	110.7025	19.276	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:2:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-2:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CN)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CN)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	111.9220	0.000	1	111.9220	0.000	1	111.9220	0.000	1	111.9220	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]C[6a]H)(CH3)	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(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]C[6a]H)(CH3){1|N<2>,1|N<3>,3|C<4>,4|C<3>}	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>}	C(N[6]C[5,6]C[6])(H)3	108.5420	0.000	1	108.5420	0.000	1	108.5420	0.000	1	109.7664	10.161	36	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H){1|P<4>,2|H<1>,3|C<4>,4|C<3>}	C(N[6]C[6,6]C[6])(H)3	109.7440	0.000	1	109.7635	0.001	2	109.7635	0.001	2	109.7664	10.161	36	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H){1|Pd<4>,2|H<1>,3|C<4>,4|C<3>}	C(N[6]C[6,6]C[6])(H)3	109.7830	0.000	1	109.7635	0.001	2	109.7635	0.001	2	109.7664	10.161	36	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]C[6a]H)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,7|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C(N[6]C[6]2)(H)3	108.3252	0.565	6	108.3252	0.319	6	109.6987	11.587	31	109.7664	10.161	36	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]C[6a]H)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,2|N<2>,5|C<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>}	C(N[6]C[6]2)(H)3	113.5130	1.632	2	110.2463	16.181	21	109.6987	11.587	31	109.7664	10.161	36	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]C[6a]H)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,2|N<2>,5|C<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|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C(N[6]C[6]2)(H)3	110.4765	0.183	2	110.2463	16.181	21	109.6987	11.587	31	109.7664	10.161	36	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]C[6a]H)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,2|N<2>,5|C<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|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C(N[6]C[6]2)(H)3	108.2846	0.333	9	110.2463	16.181	21	109.6987	11.587	31	109.7664	10.161	36	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]C[6a]H)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,2|N<2>,5|C<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|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(H)3	121.2295	0.260	2	110.2463	16.181	21	109.6987	11.587	31	109.7664	10.161	36	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]C[6a]H)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|N<2>,3|C<4>,4|C<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|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	C(N[6]C[6]2)(H)3	108.3623	0.513	6	110.2463	16.181	21	109.6987	11.587	31	109.7664	10.161	36	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]C[6a]H)2(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C(N[6]C[6]2)(H)3	108.2665	0.759	2	108.8837	0.712	4	109.6987	11.587	31	109.7664	10.161	36	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]C[6a]H)2(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,3|C<3>,7|H<1>}	C(N[6]C[6]2)(H)3	109.5010	0.191	2	108.8837	0.712	4	109.6987	11.587	31	109.7664	10.161	36	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H){2|C<3>,2|H<1>}	C(N[6]C[6]2)(H)3	112.0720	0.000	1	112.0720	0.000	1	111.4315	0.820	2	109.7664	10.161	36	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)2(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)2(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	110.7910	0.000	1	110.7910	0.000	1	111.4315	0.820	2	109.7664	10.161	36	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]C[5,6]HH)(N[6]C[5,6]C)(COO)(H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[5,6]C)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	116.6350	0.000	1	116.6350	0.000	1	116.6350	0.000	1	112.8705	4.361	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CC[6a]HH)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CC[6a]HH){1|H<1>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(N[6]C[6,6]C)(H){1|C<4>,1|O<2>,2|O<1>,4|H<1>,5|C<3>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	111.9105	1.237	2	111.9105	1.530	2	111.9105	1.530	2	112.8705	4.361	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCHH)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	C(N[6]C[6,6]C[6])(CCH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCHH){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H){3|C<4>,3|H<1>,4|C<3>}	C(N[6]C[6,6]C[6])(CCH)(H)2	111.3790	0.539	2	111.3790	0.290	2	111.3790	0.290	2	112.8705	4.361	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[3,6]-4:N[6]-3:C-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[3,6]N[3,6]C[3]H)(N[6]C[6]C)(CNO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[3,6]N[3,6]C[3]H)(N[6]C[6]C)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	109.1330	0.000	1	109.1330	0.000	1	109.1330	0.000	1	112.8705	4.361	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6,6]C[6a]H)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6,6]C[6a]H)2(CCHH){2|C<4>,2|N<2>,5|C<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|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C(N[6]C[6]2)(COO)(H)2	115.4440	2.389	2	115.4440	5.705	2	115.4440	5.705	2	112.8705	4.361	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.8535	1.677	2	112.8535	2.811	2	112.8535	2.811	2	112.8705	4.361	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(COO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	114.2120	0.000	1	114.2120	0.000	1	113.0532	2.905	11	112.8705	4.361	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.6020	1.475	2	112.6020	2.176	2	113.0532	2.905	11	112.8705	4.361	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	115.3450	0.375	2	115.3450	0.140	2	113.0532	2.905	11	112.8705	4.361	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNS)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNS)(H){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	113.1640	0.000	1	113.1640	0.000	1	113.0532	2.905	11	112.8705	4.361	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(COO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(COO)(H){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.8835	0.043	2	111.8835	0.002	2	113.0532	2.905	11	112.8705	4.361	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.6985	2.804	2	112.6985	7.861	2	113.0532	2.905	11	112.8705	4.361	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CNO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.1510	0.000	1	111.1510	0.000	1	113.0532	2.905	11	112.8705	4.361	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]CH)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]CH)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(N[6]C[6]2)(COO)(H)2	110.7585	0.199	2	110.7585	0.039	2	110.7585	0.039	2	112.8705	4.361	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:N-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]HH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(NCO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(NCO)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	114.8470	0.000	1	114.8470	0.000	1	114.8470	0.000	1	112.8705	4.361	24	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:3:2:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:C-2:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CC)(H)	111.1105	1.033	2	111.1105	1.067	2	111.1105	1.067	2	111.1105	1.067	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C(N[6]C[6]2)(CHHN)(H)2	110.6700	0.000	1	110.6700	0.000	1	110.6700	0.000	1	111.5983	0.853	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CNO)(H)	C(N[6]C[6]2)(CCHO)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CNO)(H){2|C<4>,3|H<1>}	C(N[6]C[6]2)(CCHO)(H)2	112.0625	0.643	2	112.0625	0.413	2	112.0625	0.413	2	111.5983	0.853	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:3:2:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-3:C-2:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(CN)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(CN){1|N<3>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	112.7330	0.000	1	112.7330	0.000	1	112.7330	0.000	1	112.7330	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[3x6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)	C[6](C[3x6]C[6,6]2O[6])(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[6,6]2O[6])(N[6]C[6]C)(CCHH)(H){2|C<4>,3|O<2>,4|H<1>}	C(N[6]C[6]2)(H)3	111.0550	0.194	2	111.0550	0.038	2	111.0550	0.038	2	112.6257	9.195	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[5,6]CH)(C[6]P[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]CH)(C[6]P[6]HH)(CH3){1|Fe<10>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]C)(CCHH)(H){1|P<4>,2|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	112.0490	0.000	1	112.0490	0.000	1	112.0490	0.000	1	112.6257	9.195	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<4>,6|H<1>}	C(N[6]C[6]2)(H)3	110.4760	4.270	2	110.4760	18.229	2	110.4760	18.229	2	112.6257	9.195	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]C)(CC[5a]HH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(CC[5a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	112.5300	0.000	1	112.5300	0.000	1	112.3249	3.103	9	112.6257	9.195	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[5a]HH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[5a]HH)(H){2|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	111.0662	0.782	4	111.0662	0.611	4	112.3249	3.103	9	112.6257	9.195	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[5]CO)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[5]CO)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(H)3	116.2700	0.000	1	116.2700	0.000	1	112.3249	3.103	9	112.6257	9.195	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,3|H<1>}	C(N[6]C[6]2)(H)3	113.0650	0.000	1	113.0650	0.000	1	112.3249	3.103	9	112.6257	9.195	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HN)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HN)(H){1|C<4>,2|H<1>}	C(N[6]C[6]2)(H)3	111.9030	0.000	1	111.9030	0.000	1	112.3249	3.103	9	112.6257	9.195	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H){1|H<1>,4|C<3>}	C(N[6]C[6]2)(H)3	112.8910	0.000	1	112.8910	0.000	1	112.3249	3.103	9	112.6257	9.195	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	N[6]-4:N[6]-3:Si-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	C[6](N[6]C[6]AlC)(N[6]C[6]C)(SiC3)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){1|Al<4>,3|C<4>}	C[6](N[6]C[6]AlC)(N[6]C[6]C)(SiC3)(H){1|N<3>,4|H<1>}	C(N[6]C[6]2)(H)3	111.0620	0.000	1	111.0620	0.000	1	111.0620	0.000	1	112.6257	9.195	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[6]-4:S[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CH)(S[6]N[6]OO)(CH3)	C[6](C[6]C[6]HH)(N[6]S[6]C)(CH3)(H)	C(N[6]C[6]S[6])(H)3	N[6](C[6]C[6]CH)(S[6]N[6]OO)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]S[6]C)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C(N[6]C[6]S[6])(H)3	116.4500	0.000	1	116.4500	0.000	1	116.4500	0.000	1	112.6257	9.195	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:1:1:1:	S[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6a]C[6a]O)(N[6]S[6]C)(CH3)(H)	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]CH)(CH3){1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]O)(N[6]S[6]C)(CH3)(H){2|O<1>,4|C<3>}	C(N[6]C[6]S[6])(H)3	121.0900	0.000	1	121.0900	0.000	1	121.0900	0.000	1	112.6257	9.195	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(N[6]C[6]2)(H)2	111.1340	0.000	1	111.1340	0.000	1	111.1340	0.000	1	112.3980	3.184	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CC[6a]2O)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CC[6a]2O)(H){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	113.1610	0.516	2	113.1610	0.266	2	112.4833	3.517	15	112.3980	3.184	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	113.6030	0.000	1	113.6030	0.000	1	112.4833	3.517	15	112.3980	3.184	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CClHH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CClHH)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.0840	0.000	1	112.0840	0.000	1	112.4833	3.517	15	112.3980	3.184	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	108.9860	0.000	1	112.3637	13.853	3	112.4833	3.517	15	112.3980	3.184	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	114.0525	3.255	2	112.3637	13.853	3	112.4833	3.517	15	112.3980	3.184	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.6280	0.000	1	110.4630	2.714	2	112.4833	3.517	15	112.3980	3.184	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	109.2980	0.000	1	110.4630	2.714	2	112.4833	3.517	15	112.3980	3.184	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.5260	0.000	1	111.5260	0.000	1	112.4833	3.517	15	112.3980	3.184	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	114.2360	0.000	1	114.2360	0.000	1	112.4833	3.517	15	112.3980	3.184	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)2(CC[6a]HH){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	112.4800	0.000	1	112.4800	0.000	1	112.4833	3.517	15	112.3980	3.184	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	113.6980	0.515	2	113.6980	0.265	2	112.4833	3.517	15	112.3980	3.184	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	111.5860	0.000	1	111.5860	0.000	1	112.4833	3.517	15	112.3980	3.184	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CFeCH)(H)	C(N[6]C[6]2)(CCC)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CFeCH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(CCC)(H)2	112.3820	0.000	1	112.3820	0.000	1	112.3820	0.000	1	112.3980	3.184	17	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]2H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]2H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	111.1060	0.000	1	111.1060	0.000	1	111.1060	0.000	1	111.1060	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(CH3)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(CH3)(H){1|N<2>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	116.9260	0.000	1	116.9260	0.000	1	116.1365	1.247	2	114.9656	4.273	10	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CCHO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CCHO)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	115.3470	0.000	1	115.3470	0.000	1	116.1365	1.247	2	114.9656	4.273	10	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC[6a]CH)	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(CClHH)(H)	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(CClHH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3)(H)	114.3070	0.000	1	114.3070	0.000	1	114.6729	4.826	8	114.9656	4.273	10	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC[6a]CH)	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(CClHH)(H)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(CClHH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	113.3900	0.000	1	113.3900	0.000	1	114.6729	4.826	8	114.9656	4.273	10	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]CH)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]CH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H){2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	115.1330	0.000	1	115.1330	0.000	1	114.6729	4.826	8	114.9656	4.273	10	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	113.4750	0.000	1	113.4750	0.000	1	114.6729	4.826	8	114.9656	4.273	10	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	114.0050	0.000	1	114.0050	0.000	1	114.6729	4.826	8	114.9656	4.273	10	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	111.4700	0.000	1	111.4700	0.000	1	114.6729	4.826	8	114.9656	4.273	10	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	117.6090	0.000	1	117.6090	0.000	1	114.6729	4.826	8	114.9656	4.273	10	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	117.9940	0.000	1	117.9940	0.000	1	114.6729	4.826	8	114.9656	4.273	10	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(CCHN)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(CCHN)(H)2	112.9970	0.000	1	112.9970	0.000	1	112.9907	0.655	3	112.9907	0.655	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(N[6]C[6]2)(CCHH)(H)2	113.7970	0.000	1	113.7970	0.000	1	112.9907	0.655	3	112.9907	0.655	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6a]O[6]O)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6a]O[6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	C(N[6]C[6]2)(CHHO)(H)2	112.1780	0.000	1	112.1780	0.000	1	112.9907	0.655	3	112.9907	0.655	3	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:1:	3:4:4:4:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]C[6]CH)2(CC3)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CBrHH)(H)	C(N[6]C[6]2)(CH3)3	N[6](C[6]C[6]CH)2(CC3){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(CBrHH)(H){1|H<1>,2|C<4>}	C(N[6]C[6]2)(CH3)3	118.4080	1.459	4	118.4080	2.129	4	118.4080	2.129	4	118.4080	2.129	4	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:2:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:C-2:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3){1|C<2>,1|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN){1|C<4>,2|C<3>,2|H<1>}	C(N[6]C[6]2)(H)3	113.9070	0.000	1	113.8690	0.003	2	113.8690	0.003	2	113.8690	0.003	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:2:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:C-2:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN){1|C<4>,2|C<3>,4|H<1>}	C(N[6]C[6]2)(H)3	113.8310	0.000	1	113.8690	0.003	2	113.8690	0.003	2	113.8690	0.003	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:2:	3:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:C-2:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(CN)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(CN){1|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	118.1470	0.000	1	118.1470	0.000	1	118.1470	0.000	1	118.1470	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:4:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CF3)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3){1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CF3)2{2|C<3>,2|H<1>}	C(N[6]C[6]2)(H)3	119.0030	0.000	1	119.0030	0.000	1	113.5408	4.463	9	113.5408	4.463	9	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:4:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]CC)2(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CC)2(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C(N[6]C[6]2)(H)3	112.8580	0.553	8	112.8580	0.306	8	113.5408	4.463	9	113.5408	4.463	9	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:4:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-3:H-1:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CHHN)2	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(CHHN)2{1|C<3>,2|H<1>}	C(N[6]C[6]2)(COO)(H)2	119.2450	1.278	2	119.2450	1.634	2	119.2450	1.634	2	119.2450	1.634	2	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:4:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]CC)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CC)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	C(N[6]C[6]2)(CCHH)(H)2	114.1165	0.235	2	114.1165	0.055	2	113.8834	0.395	8	113.8834	0.395	8	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:4:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]CC)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C(N[6]C[6]2)(CC[4]HH)(H)2	N[6](C[6]C[6]CC)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	C(N[6]C[6]2)(CC[4]HH)(H)2	113.8815	0.005	2	113.8815	0.000	2	113.8834	0.395	8	113.8834	0.395	8	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:4:	3:4:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6](C[6]C[6]CC)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C(N[6]C[6]2)(CN[5]CH)(H)2	N[6](C[6]C[6]CC)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	C(N[6]C[6]2)(CN[5]CH)(H)2	113.7678	0.922	4	113.7678	0.849	4	113.8834	0.395	8	113.8834	0.395	8	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:3:4:4:	3:4:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-4:C-4:H-1:	N[6](C[6]C[6]CC)2(CCCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C(N[6]C[6]2)(CHHO)2(H)	N[6](C[6]C[6]CC)2(CCCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	C(N[6]C[6]2)(CHHO)2(H)	116.5195	2.965	4	116.5195	8.790	4	116.5195	8.790	4	116.5195	8.790	4	111.6694	4.692	3499	111.8189	5.026	3748
856	466	490	0:SP3_SP3_SP3	N[6]	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	Si[5]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]Si[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](Si[5]N[5]2I)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)3	N[6](C[6]Si[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|I<1>,2|N<3>,4|H<1>}	C[6](Si[5]N[5]2I)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C(N[6]C[6]2)(H)3	112.1070	0.000	1	112.1070	0.000	1	112.1070	0.000	1	112.1070	0.000	1	111.6694	4.692	3499	111.8189	5.026	3748