856	466	769	0:SP2_SP2_SP3	N[6]	C[6]	C[4a]	3:4:4:	3:4:1:1:	3:3:3:	C[4a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[4a]-3:C[4a]-3:N[6]-3:	N[6](C[4a]C[4a]2)(C[6]C[6]HH)2	C[6](N[6]C[4a]C[6])(C[6]C[6]HH)(H)2	C[4a](C[4a]C[4a]O)2(N[6]C[6]2)	N[6](C[4a]C[4a]2)(C[6]C[6]HH)2{1|C<3>,1|C<4>,2|O<1>,4|H<1>}	C[6](N[6]C[4a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[4a](C[4a]C[4a]O)2(N[6]C[6]2){1|C<3>,2|C<4>,4|H<1>}	122.2703	0.553	4	122.2703	0.305	4	122.5392	1.503	6	122.5392	1.503	6	122.5392	1.503	6	122.5392	1.503	6
856	466	769	0:SP2_SP2_SP3	N[6]	C[6]	C[4a]	3:4:4:	3:4:1:1:	3:3:3:	C[4a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[4a]-3:C[4a]-3:N[6]-3:	N[6](C[4a]C[4a]2)(C[6]C[6]HH)2	C[6](N[6]C[4a]C[6])(C[6]O[6]HH)(H)2	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(N[6]C[6]2)	N[6](C[4a]C[4a]2)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](N[6]C[4a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(N[6]C[6]2){1|O<1>,2|C<4>,4|H<1>}	123.0770	2.394	2	123.0770	5.732	2	122.5392	1.503	6	122.5392	1.503	6	122.5392	1.503	6	122.5392	1.503	6
856	466	769	6:SP2_SP2_SP3	N[6]	C[6]	C[4a,6]	3:4:4:	3:4:1:1:	3:3:3:	C[4a,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[4a,6]-3:C[4a]-3:N[6]-3:	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[4a,6](C[4a,6]C[4a]N[6])(C[4a]C[4a]O)(N[6]C[6]C)	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[4a,6](C[4a,6]C[4a]N[6])(C[4a]C[4a]O)(N[6]C[6]C){1|O<1>,2|C<4>,2|H<1>}	113.1350	0.861	2	113.1350	0.742	2	113.1350	0.742	2	113.1350	0.742	2	113.1350	0.742	2	113.1350	0.742	2
856	466	770	0:SP2_SP2_SP3	N[6]	C[6]	B	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:B-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(BC[6a]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)(H)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(BC[6a]2){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)(H){3|H<1>,4|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)	119.7270	0.000	1	119.7270	0.000	1	119.7270	0.000	1	119.7270	0.000	1	120.6771	5.514	9	120.6771	5.514	9
856	466	770	0:SP2_SP2_SP3	N[6]	C[6]	B	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:B-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6]HH)2(BC[6a]2)	C[6](C[6]C[6]HH)(N[6]C[6]B)(H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)	N[6](C[6]C[6]HH)2(BC[6a]2){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]B)(H)2{1|C<4>,4|H<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)	124.4935	0.323	2	124.4935	0.104	2	124.4935	0.104	2	124.4935	0.104	2	120.6771	5.514	9	120.6771	5.514	9
856	466	770	0:SP2_SP2_SP3	N[6]	C[6]	B	4:4:3:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-4:B-3:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:N-3:Cl-1:	N[6](C[6]C[6]CC)2(BClN)	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	B(N[6]C[6]2)(NC[6a]H)(Cl)	N[6](C[6]C[6]CC)2(BClN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2{2|H<1>,3|C<4>}	B(N[6]C[6]2)(NC[6a]H)(Cl)	120.6690	0.506	2	120.6690	0.256	2	120.6690	0.256	2	120.6690	0.256	2	120.6771	5.514	9	120.6771	5.514	9
856	466	770	0:SP2_SP2_SP3	N[6]	C[6]	B	4:4:3:	4:3:4:4:	3:3:2:	C[6]-4:C[6]-4:B-3:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:N-3:O-2:	N[6](C[6]C[6]CC)2(BNO)	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	B(N[6]C[6]2)(NC[6a]H)(OC)	N[6](C[6]C[6]CC)2(BNO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2{2|H<1>,3|C<4>}	B(N[6]C[6]2)(NC[6a]H)(OC)	118.8450	0.537	2	118.8450	0.289	2	118.8450	0.289	2	119.0105	0.871	4	120.6771	5.514	9	120.6771	5.514	9
856	466	770	0:SP2_SP2_SP3	N[6]	C[6]	B	4:4:3:	4:3:4:4:	3:3:2:	C[6]-4:C[6]-4:B-3:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:N[6]-3:As-2:	N[6](C[6]C[6]CC)2(BN[6]As)	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	B(N[6]C[6]2)2(AsC[6a])	N[6](C[6]C[6]CC)2(BN[6]As){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2{2|H<1>,3|C<4>}	B(N[6]C[6]2)2(AsC[6a])	119.1760	1.488	2	119.1760	2.213	2	119.1760	2.213	2	119.0105	0.871	4	120.6771	5.514	9	120.6771	5.514	9
856	466	770	0:SP3_SP2_SP3	N[6]	C[6]	B	4:4:3:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-4:B-3:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:N-3:Br-1:	N[6](C[6]C[6]CC)2(BBrN)	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	B(N[6]C[6]2)(NC[6a]H)(Br)	N[6](C[6]C[6]CC)2(BBrN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2{2|H<1>,3|C<4>}	B(N[6]C[6]2)(NC[6a]H)(Br)	117.5730	0.378	2	117.5730	0.143	2	117.5730	0.143	2	117.5730	0.143	2	117.5730	0.143	2	117.5730	0.143	2
856	466	778	0:SP3_SP3_SPD5	N[6,6]	C[3x6]	C[3x3,4,3x5,14x6]	5:4:2:	3:4:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[3x6]-4:O[6,6]-2:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:N[6,6]-3:	N[6,6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[3x6]C[6,6]2H)(O[6,6]C[3x6])	C[3x6](N[6,6]C[3x3,4,3x5,14x6]O[6,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(N[6,6]C[3x6]O[6,6])	N[6,6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[3x6]C[6,6]2H)(O[6,6]C[3x6]){1|C<3>,1|C<4>,1|C<5>,5|B<6>,8|H<1>}	C[3x6](N[6,6]C[3x3,4,3x5,14x6]O[6,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,3|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(N[6,6]C[3x6]O[6,6]){1|B<6>,1|C<3>,1|N<3>,2|C<4>,6|H<1>}	121.5170	0.000	1	121.5170	0.000	1	121.5170	0.000	1	121.5170	0.000	1	120.8347	0.244	4	120.8347	0.244	4
856	466	778	0:SP3_SP3_SPD5	N[6,6]	C[3x6]	C[3x3,4,3x5,14x6]	5:4:2:	3:4:3:4:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[3x6]-4:O[6,6]-2:	N[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:N[6,6]-3:	N[6,6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[3x6]C[6,6]2C)(O[6,6]C[3x6])	C[3x6](N[6,6]C[3x3,4,3x5,14x6]O[6,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(N[6,6]C[3x6]O[6,6])	N[6,6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[3x6]C[6,6]2C)(O[6,6]C[3x6]){1|C<3>,1|C<5>,2|C<4>,5|B<6>,7|H<1>}	C[3x6](N[6,6]C[3x3,4,3x5,14x6]O[6,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|C<4>,3|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(N[6,6]C[3x6]O[6,6]){1|B<6>,1|C<3>,3|C<4>,6|H<1>}	120.6073	0.237	3	120.6073	0.056	3	120.6073	0.056	3	120.6073	0.056	3	120.8347	0.244	4	120.8347	0.244	4
856	466	786	0:SP2_SP3_SP3	N[6,6]	C[6]	B[5,6,6]	4:3:4:	3:4:1:1:	3:3:3:2:	B[5,6,6]-4:C[3x6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	O[5,6,6]-3:N[6,6]-3:N[6,6]-3:O[5]-2:	N[6,6](B[5,6,6]O[5,6,6]N[6,6]O[5])(C[3x6]N[6,6]2)(C[6]C[6]HH)	C[6](N[6,6]B[5,6,6]C[3x6])(C[6]C[6]HH)(H)2	B[5,6,6](O[5,6,6]C[5,6a]B[6,6])(N[6,6]C[3x6]C[6])2(O[5]C[5,6a])	N[6,6](B[5,6,6]O[5,6,6]N[6,6]O[5])(C[3x6]N[6,6]2)(C[6]C[6]HH){1|B<4>,2|H<1>,3|C<3>,4|C<4>}	C[6](N[6,6]B[5,6,6]C[3x6])(C[6]C[6]HH)(H)2{1|O<2>,1|O<3>,2|H<1>,3|N<3>}	B[5,6,6](O[5,6,6]C[5,6a]B[6,6])(N[6,6]C[3x6]C[6])2(O[5]C[5,6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>,4|N<3>}	117.1040	3.864	2	117.1040	14.928	2	117.1040	14.928	2	117.1040	14.928	2	117.1040	14.928	2	117.1040	14.928	2
856	466	786	6:SP2_SP3_SP3	N[6,6]	C[6]	B[5,6,6]	4:3:4:	3:4:1:1:	3:3:3:2:	B[5,6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:N[6,6]-3:O[6]-2:	N[6,6](B[5,6,6]C[5,6a]N[5,6]O[6])(C[6]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](N[6,6]B[5,6,6]C[6])(C[6]C[6]HH)(H)2	B[5,6,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6,6]C[6]2)(O[6]C[6])	N[6,6](B[5,6,6]C[5,6a]N[5,6]O[6])(C[6]C[6,6a]C[6a])(C[6]C[6]HH){2|C<4>,2|H<1>,6|C<3>}	C[6](N[6,6]B[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	B[5,6,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6,6]C[6]2)(O[6]C[6]){1|C<4>,5|C<3>,7|H<1>}	111.8480	0.000	1	111.8480	0.000	1	111.8480	0.000	1	111.8480	0.000	1	111.8480	0.000	1	111.8480	0.000	1
856	466	790	0:SP3_SP-NON_SP3	N[6]	C[6]	Cl	4:4:1:	4:3:1:1:	3:	C[5,6]-4:C[6]-4:Cl-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:	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	Cl(N[6]C[5,6]C[6])	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>}	Cl(N[6]C[5,6]C[6])	108.4470	0.000	1	108.4470	0.000	1	108.4470	0.000	1	108.4470	0.000	1	108.4470	0.000	1	108.4470	0.000	1
856	466	794	0:SP2_SP3_SPD5	N[3x6]	C[6]	C[4,4,6,6]	3:5:4:	3:4:1:1:	4:4:3:1:1:	C[3x6,6a]-3:C[4,4,6,6]-5:C[6]-4:	N[3x6]-3:C[6]-4:H-1:H-1:	C[3x4,6]-4:C[3x4,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[4,4,6,6]C[3x4,6]2HH)(C[6]C[6]HH)	C[6](N[3x6]C[4,4,6,6]C[3x6,6a])(C[6]C[6]HH)(H)2	C[4,4,6,6](C[3x4,6]C[4,4,6,6]H[4,4]H)2(N[3x6]C[3x6,6a]C[6])(H)2	N[3x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[4,4,6,6]C[3x4,6]2HH)(C[6]C[6]HH){1|H<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[3x6]C[4,4,6,6]C[3x6,6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[4,4,6,6](C[3x4,6]C[4,4,6,6]H[4,4]H)2(N[3x6]C[3x6,6a]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	115.3270	0.000	1	115.3270	0.000	1	115.3270	0.000	1	115.3270	0.000	1	115.3270	0.000	1	115.3270	0.000	1
856	466	813	0:SP2_SP2_SP3	N[6]	C[6,6]	N[5a]	3:4:3:	4:3:4:3:	3:3:3:	C[6]-3:C[6,6]-4:N[5a]-3:	C[6]-4:N[6]-3:C[6]-4:C[6]-3:	N[6]-3:C[5a]-3:C[5a]-3:	N[6](C[6]C[6,6a]O)(C[6,6]C[6]3)(N[5a]C[5a]2)	C[6,6](C[6]C[6,6a]HH)(N[6]N[5a]C[6])(C[6]C[6]HH)(C[6]C[6]C)	N[5a](N[6]C[6,6]C[6])(C[5a]C[5a]H)2	N[6](C[6]C[6,6a]O)(C[6,6]C[6]3)(N[5a]C[5a]2){2|C<4>,5|C<3>,6|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6]N[5a]C[6])(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5a](N[6]C[6,6]C[6])(C[5a]C[5a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	119.4075	0.717	4	119.4075	0.513	4	119.4075	0.513	4	119.4075	0.513	4	119.4075	0.513	4	119.4075	0.513	4
856	466	813	0:SP3_SP2_SP3	N[6]	C[6]	N[5a]	3:4:4:	3:4:1:1:	3:2:3:	N[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-2:N[6]-3:	N[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]N[5a]C[6])(C[6]O[6]HH)(H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(N[6]C[6]2)	N[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<3>,1|O<2>,2|N<2>,4|H<1>}	C[6](N[6]N[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	110.7843	0.230	4	110.7843	0.053	4	110.7843	0.053	4	110.7843	0.053	4	110.7843	0.053	4	110.7843	0.053	4
856	466	813	6:SP3_SP2_SP3	N[6,6]	C[6,6]	N[5a,6]	3:4:3:	3:3:3:1:	3:3:3:	N[5a,6]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[5a,6]-3:N[6,6]-3:C[5a]-3:	N[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]N[5a,6]C[6])(N[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]H)	N[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6]){3|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]N[5a,6]C[6])(N[6]C[6]H)(H){1|H<1>,1|O<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	107.8180	0.000	1	107.8180	0.000	1	107.8180	0.000	1	107.8180	0.000	1	107.8180	0.000	1	110.3816	7.721	7
856	466	813	6:SP3_SP2_SP3	N[6]	C[6,6]	N[5a,6]	3:4:1:	3:4:4:4:	3:3:2:	N[5a,6]-3:C[6,6]-4:H-1:	N[6]-3:C[6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]3)(H)	C[6,6](N[6]N[5a,6]H)(C[6]C[6]HH)2(C[6]S[6]CH)	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[6,6]H)(N[5a]N[5a])	N[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]3)(H){1|N<2>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](N[6]N[5a,6]H)(C[6]C[6]HH)2(C[6]S[6]CH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[6,6]H)(N[5a]N[5a]){1|C<3>,3|C<4>}	112.2925	0.127	2	112.2925	0.016	2	112.2925	0.016	2	112.2925	0.016	2	112.2925	0.016	2	110.3816	7.721	7
856	466	813	6:SP3_SP2_SP3	N[6]	C[6]	N[5a,6]	3:4:1:	3:3:4:4:	3:2:3:	N[5a,6]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]C)(H)	C[6](N[6]N[5a,6]H)(C[6a]C[6a]2)(C[6]S[6]CH)(CH3)	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H)	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]C)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6](N[6]N[5a,6]H)(C[6a]C[6a]2)(C[6]S[6]CH)(CH3){1|N<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H){2|C<3>,2|C<4>}	113.1000	0.000	1	113.1000	0.000	1	113.1000	0.000	1	113.1000	0.000	1	110.0670	10.679	4	110.3816	7.721	7
856	466	813	6:SP3_SP2_SP3	N[6]	C[6]	N[5a,6]	3:4:1:	3:4:1:1:	3:2:3:	N[5a,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)	C[6](N[6]N[5a,6]H)(C[6]N[6]HH)(H)2	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(N[6]C[6]H)	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](N[6]N[5a,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>}	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(N[6]C[6]H){1|C<4>,3|H<1>}	106.8950	0.000	1	106.8950	0.000	1	106.8950	0.000	1	106.8950	0.000	1	110.0670	10.679	4	110.3816	7.721	7
856	466	813	6:SP3_SP2_SP3	N[6]	C[6]	N[5a,6]	3:4:1:	3:4:4:4:	3:2:3:	N[5a,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:C-4:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)	C[6](N[6]N[5a,6]H)(C[6]S[6]CH)(CH3)2	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H)	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6](N[6]N[5a,6]H)(C[6]S[6]CH)(CH3)2{1|C<3>,1|N<2>}	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H){1|C<3>,3|C<4>}	112.6630	0.000	1	112.6630	0.000	1	112.6630	0.000	1	112.6630	0.000	1	110.0670	10.679	4	110.3816	7.721	7
856	466	813	6:SP3_SP2_SP3	N[6]	C[6]	N[5a,6]	3:4:4:	4:3:1:1:	3:3:3:	N[5a,6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:N[6]-3:	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	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]N)(N[6]C[6]C)	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>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]N)(N[6]C[6]C){1|O<1>,2|C<4>,3|H<1>}	107.6100	0.000	1	107.6100	0.000	1	107.6100	0.000	1	107.6100	0.000	1	110.0670	10.679	4	110.3816	7.721	7
856	466	818	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C[5,6]	4:3:4:	3:3:4:1:	3:4:3:	C[6,6]-4:C[5,6]-3:C[3x6]-4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[5,6]-4:C[5]-3:	N[6,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[3x6]C[6,6]2H)	C[6,6](N[6,6]C[3x6]C[5,6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5,6](N[6,6]C[3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[3x6]C[6,6]2H){1|C<3>,6|H<1>,7|C<4>}	C[6,6](N[6,6]C[3x6]C[5,6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[5,6](N[6,6]C[3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	118.3320	0.000	1	118.3320	0.000	1	118.3320	0.000	1	118.3320	0.000	1	118.3320	0.000	1	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	3:4:3:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C[5]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-3:C[5]-3:N[6]-3:	N[6](C[6]C[6,6a]H)(C[6]C[6]HH)(C[5]C[5]2)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[5]C[6])(H)2	C[5](C[5]C[5,6a]O)2(N[6]C[6]2)	N[6](C[6]C[6,6a]H)(C[6]C[6]HH)(C[5]C[5]2){1|H<1>,2|O<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[5]C[6])(H)2{1|H<1>,6|C<3>}	C[5](C[5]C[5,6a]O)2(N[6]C[6]2){1|C<4>,3|C<3>,3|H<1>}	118.9150	0.000	1	118.9150	0.000	1	118.9150	0.000	1	118.9150	0.000	1	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	3:4:4:	3:4:1:1:	2:3:2:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	Se[5]-2:N[6]-3:N[5]-2:	N[6](C[5]Se[5]N[5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[5](Se[5]Se[5])(N[6]C[6]2)(N[5]C[5])	N[6](C[5]Se[5]N[5])(C[6]C[6]HH)2{1|Se<2>,1|C<3>,1|O<2>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|Se<2>,1|C<4>,1|N<2>,2|H<1>}	C[5](Se[5]Se[5])(N[6]C[6]2)(N[5]C[5]){1|N<2>,2|C<4>,4|H<1>}	123.2280	1.319	2	123.2280	1.741	2	123.2280	1.741	2	123.2280	1.741	2	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	3:4:4:	3:4:1:1:	3:2:2:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[5]-2:S[5]-2:	N[6](C[5]N[5]S[5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](N[6]C[6]2)(N[5]C[5])(S[5]C[5])	N[6](C[5]N[5]S[5])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	C[5](N[6]C[6]2)(N[5]C[5])(S[5]C[5]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	122.6335	1.525	26	122.6335	2.324	26	122.6335	2.324	26	122.4317	2.898	28	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	3:4:4:	3:4:1:1:	3:2:2:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:Se[5]-2:N[5]-2:	N[6](C[5]Se[5]N[5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](N[6]C[6]2)(Se[5]C[5])(N[5]C[5])	N[6](C[5]Se[5]N[5])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<4>,1|N<2>,4|H<1>}	C[5](N[6]C[6]2)(Se[5]C[5])(N[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	119.8075	2.306	2	119.8075	5.317	2	119.8075	5.317	2	122.4317	2.898	28	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	3:4:4:	3:4:1:1:	3:2:3:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5]-3:O[5]-2:N[6]-3:	N[6](C[5]N[5]O[5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(N[6]C[6]2)	N[6](C[5]N[5]O[5])(C[6]C[6]HH)2{1|Pt<4>,1|N<3>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(N[6]C[6]2){1|N<3>,3|C<4>,5|H<1>}	123.4690	1.965	4	123.3933	2.805	6	123.3933	2.805	6	123.3933	2.805	6	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	3:4:4:	3:4:1:1:	3:2:3:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5]-3:O[5]-2:N[6]-3:	N[6](C[5]N[5]O[5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(N[6]C[6]2)	N[6](C[5]N[5]O[5])(C[6]C[6]HH)2{1|Pt<4>,1|N<3>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(N[6]C[6]2){1|O<2>,4|C<4>,4|H<1>}	123.2420	1.540	2	123.3933	2.805	6	123.3933	2.805	6	123.3933	2.805	6	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	3:4:4:	3:4:1:1:	3:3:2:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[6]-3:N[5]-2:	N[6](C[5]C[5,6a]N[5])(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)(N[5]C[5])	N[6](C[5]C[5,6a]N[5])(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|N<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(N[5]C[5]){2|C<4>,3|C<3>,5|H<1>}	123.1185	4.833	2	123.1185	23.359	2	123.1185	23.359	2	123.0724	5.584	8	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	3:4:4:	3:4:1:1:	3:3:2:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-3:N[6]-3:S[5]-2:	N[6](C[5]C[5]S[5])(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]C)(N[6]C[6]2)(S[5]C[5])	N[6](C[5]C[5]S[5])(C[6]C[6]HH)2{1|C<2>,1|C<3>,1|C<4>,1|O<2>,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|S<2>,2|H<1>}	C[5](C[5]C[5]C)(N[6]C[6]2)(S[5]C[5]){1|O<1>,2|C<4>,6|H<1>}	124.2095	1.752	2	124.2095	3.068	2	124.2095	3.068	2	123.0724	5.584	8	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	3:4:4:	3:4:1:1:	3:3:2:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5]-3:N[6]-3:O[5]-2:	N[6](C[5]N[5]O[5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](N[5]C[5]Pt)(N[6]C[6]2)(O[5]N[5])	N[6](C[5]N[5]O[5])(C[6]C[6]HH)2{1|Pt<4>,1|N<3>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5](N[5]C[5]Pt)(N[6]C[6]2)(O[5]N[5]){1|C<3>,3|C<4>,5|H<1>}	122.4808	1.700	4	122.4808	2.891	4	122.4808	2.891	4	123.0724	5.584	8	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	3:4:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:N[6]-3:	N[6](C[5]C[5,6]C[5])(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]C[5,6]C[6])(C[5]C[5]C)(N[6]C[6]2)	N[6](C[5]C[5,6]C[5])(C[6]C[6]HH)2{1|C<2>,1|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(N[6]C[6]2){1|C<2>,2|C<3>,3|C<4>,6|H<1>}	122.2555	0.984	2	122.2555	0.967	2	120.6780	3.706	4	120.6780	3.706	4	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	3:4:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:N[6]-3:	N[6](C[5]C[5,6]C[5])(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[5,6]C[6])(C[5]C[5,6]C)(N[6]C[6]2)	N[6](C[5]C[5,6]C[5])(C[6]C[6]HH)2{1|C<2>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]C)(N[6]C[6]2){1|S<2>,2|C<4>,3|C<3>,6|H<1>}	119.1005	0.442	2	119.1005	0.195	2	120.6780	3.706	4	120.6780	3.706	4	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	3:4:4:	3:4:1:1:	4:3:2:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:N[6]-3:N[5]-2:	N[6](C[5]C[5]N[5])(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]CH)(N[6]C[6]2)(N[5]P[5])	N[6](C[5]C[5]N[5])(C[6]C[6]HH)2{1|C<3>,1|P<4>,2|C<4>,5|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]CH)(N[6]C[6]2)(N[5]P[5]){1|W<6>,3|C<4>,6|H<1>}	121.6515	3.915	2	121.6515	15.329	2	121.6515	15.329	2	123.2819	6.867	12	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	3:4:4:	3:4:1:1:	4:3:2:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:N[6]-3:O[5]-2:	N[6](C[5]C[5]O[5])(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]O[5]CC)(N[6]C[6]2)(O[5]B[5])	N[6](C[5]C[5]O[5])(C[6]C[6]HH)2{1|B<4>,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)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]O[5]CC)(N[6]C[6]2)(O[5]B[5]){2|C<4>,2|F<1>,4|H<1>}	123.3485	3.224	2	123.3485	10.392	2	123.6080	5.981	10	123.2819	6.867	12	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	3:4:4:	3:4:1:1:	4:3:2:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:N[6]-3:O[5]-2:	N[6](C[5]C[5]O[5])(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]O[5]CC)(N[6]C[6]2)(O[5]B[5])	N[6](C[5]C[5]O[5])(C[6]C[6]HH)2{1|B<4>,1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]O[5]CC)(N[6]C[6]2)(O[5]B[5]){2|C<4>,2|F<1>,4|H<1>}	123.6729	2.486	8	123.6729	6.181	8	123.6080	5.981	10	123.2819	6.867	12	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	3:4:4:	3:4:1:1:	4:3:3:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:N[6]-3:	N[6](C[5]C[5,6]C[5])(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]C[6]2O[5])(C[5]C[5]C)(N[6]C[6]2)	N[6](C[5]C[5,6]C[5])(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(N[6]C[6]2){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	123.6490	1.720	2	123.6490	2.957	2	123.6490	2.957	2	123.6490	2.957	2	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	3:4:4:	3:4:1:1:	4:4:3:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[4,5]-4:B[5]-4:N[6]-3:	N[6](C[5]C[4,5]B[5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[4,5]C[4,5]B[4]N[6])(B[5]C[6a]2C[5])(N[6]C[6]2)	N[6](C[5]C[4,5]B[5])(C[6]C[6]HH)2{1|B<4>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,4|H<1>}	C[5](C[4,5]C[4,5]B[4]N[6])(B[5]C[6a]2C[5])(N[6]C[6]2){1|N<3>,1|N<4>,2|F<1>,4|C<3>,4|C<4>,4|H<1>}	125.4120	0.824	2	125.4120	0.680	2	125.4120	0.680	2	125.4120	0.680	2	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	3:4:4:	3:4:4:4:	4:4:3:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:C-4:C-4:	C[3,5]-4:C[5]-4:N[6]-3:	N[6](C[5]C[3,5]C[5])(C[6]C[6]CC)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2	C[5](C[3,5]B[3,5]B[3]H)(C[5]C[5]HH)(N[6]C[6]2)	N[6](C[5]C[3,5]C[5])(C[6]C[6]CC)2{1|B<4>,1|B<5>,2|C<4>,7|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2{2|H<1>,5|C<4>}	C[5](C[3,5]B[3,5]B[3]H)(C[5]C[5]HH)(N[6]C[6]2){2|H<1>,3|C<3>,7|C<4>}	121.1340	1.317	2	121.1340	1.734	2	121.1340	1.734	2	121.1340	1.734	2	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	4:3:4:	3:3:1:1:	3:2:2:	C[6]-4:C[5]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:N[5]-2:O[5]-2:	N[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(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](N[6]C[6]2)(N[5]C[5])(O[5]N[5])	N[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5](N[6]C[6]2)(N[5]C[5])(O[5]N[5]){2|C<4>,3|C<3>,4|H<1>}	121.6510	0.000	1	121.6510	0.000	1	121.6510	0.000	1	121.6510	0.000	1	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	4:3:4:	4:3:1:1:	3:2:2:	C[6]-4:C[5]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[5]-2:O[5]-2:	N[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2	C[5](N[6]C[6]2)(N[5]C[5])(O[5]N[5])	N[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[6]C[6]2)(N[5]C[5])(O[5]N[5]){2|C<4>,3|C<3>,4|H<1>}	117.7010	0.000	1	117.7010	0.000	1	117.7010	0.000	1	117.7010	0.000	1	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:2:2:	C[6]-4:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:S[5]-2:S[5]-2:	N[6](C[6]C[6]HH)2(C[5]S[5]2)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](N[6]C[6]2)(S[5]C[5])2	N[6](C[6]C[6]HH)2(C[5]S[5]2){1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|S<2>,4|H<1>}	C[5](N[6]C[6]2)(S[5]C[5])2{1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	121.4515	0.023	2	121.4515	0.001	2	121.4515	0.001	2	121.4515	0.001	2	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:2:	C[6]-4:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[5]-3:N[6]-3:N[5]-2:	N[6](C[6]C[6]HH)2(C[5]N[5]2)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[5](N[5]C[5]H)(N[6]C[6]2)(N[5]C[5])	N[6](C[6]C[6]HH)2(C[5]N[5]2){1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5]H)(N[6]C[6]2)(N[5]C[5]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	121.8975	2.700	4	120.2858	11.547	6	120.2858	11.547	6	120.2858	11.547	6	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:2:	C[6]-4:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[5]-3:N[6]-3:N[5]-2:	N[6](C[6]C[6]HH)2(C[5]N[5]2)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[5](N[5]C[5]H)(N[6]C[6]2)(N[5]C[5])	N[6](C[6]C[6]HH)2(C[5]N[5]2){1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[5](N[5]C[5]H)(N[6]C[6]2)(N[5]C[5]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	117.0625	2.166	2	120.2858	11.547	6	120.2858	11.547	6	120.2858	11.547	6	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:3:	C[6]-4:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-3:C[5]-3:N[6]-3:	N[6](C[6]C[6]HH)2(C[5]C[5]2)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5]C[5]H)(C[5]N[5]O)(N[6]C[6]2)	N[6](C[6]C[6]HH)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(N[6]C[6]2){1|O<1>,3|C<4>,4|H<1>}	123.2085	4.068	2	123.2085	16.549	2	123.2085	16.549	2	123.2085	16.549	2	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	4:4:3:	3:4:1:1:	4:3:3:	C[6]-4:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5]-3:N[6]-3:	N[6](C[6]C[6]HH)2(C[5]C[5]2)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[6]C[6]2)	N[6](C[6]C[6]HH)2(C[5]C[5]2){1|Cl<1>,1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[6]C[6]2){1|O<1>,2|C<4>,4|H<1>}	123.7705	0.084	2	123.7705	0.007	2	123.0502	2.244	6	123.0502	2.244	6	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	4:4:3:	3:4:1:1:	4:3:3:	C[6]-4:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5]-3:N[6]-3:	N[6](C[6]C[6]HH)2(C[5]C[5]2)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[6]C[6]2)	N[6](C[6]C[6]HH)2(C[5]C[5]2){1|Cl<1>,1|C<3>,1|N<3>,2|O<2>,5|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[6]C[6]2){1|O<1>,2|C<4>,4|H<1>}	122.6900	1.794	4	122.6900	3.218	4	123.0502	2.244	6	123.0502	2.244	6	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	4:4:3:	3:4:1:1:	4:4:3:	C[6]-4:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:N[6]-3:	N[6](C[6]C[6]HH)2(C[5]C[5]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)	N[6](C[6]C[6]HH)2(C[5]C[5]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>,4|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2){2|C<4>,8|H<1>}	123.5035	0.875	2	123.5035	0.765	2	123.5035	0.765	2	123.5035	0.765	2	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP2_SP2_SP3	N[6]	C[6]	C[5]	4:4:3:	3:4:4:4:	2:3:2:	C[6]-4:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:C-4:C-4:	O[5]-2:N[6]-3:O[5]-2:	N[6](C[6]C[6]CC)2(C[5]O[5]2)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2	C[5](O[5]B[5,5])(N[6]C[6]2)(O[5]C[5])	N[6](C[6]C[6]CC)2(C[5]O[5]2){1|B<4>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2{2|H<1>,2|O<2>,3|C<4>}	C[5](O[5]B[5,5])(N[6]C[6]2)(O[5]C[5]){1|Sn<4>,1|H<1>,2|O<2>,6|C<4>}	116.8145	2.070	2	116.8145	4.284	2	116.8145	4.284	2	116.8145	4.284	2	122.3619	5.730	89	122.3171	5.846	90
856	466	818	0:SP3_SP2_SP3	N[6,6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[5,6]-3:C[5]-3:	N[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6]C[6,6])(H)2	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]N[5]O)	N[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6]C[6,6])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]N[5]O){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	117.9370	0.000	1	117.9370	0.000	1	117.9370	0.000	1	117.9370	0.000	1	117.9370	0.000	1	118.6924	14.231	14
856	466	818	0:SP3_SP2_SP3	N[6]	C[6]	C[5]	3:4:4:	3:4:1:1:	3:3:2:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-3:N[6]-3:N[5]-2:	N[6](C[5]C[5]N[5])(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]S[5]S)(N[6]C[6]2)(N[5]S[5])	N[6](C[5]C[5]N[5])(C[6]C[6]HH)2{1|N<3>,1|S<1>,2|S<2>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5](C[5]S[5]S)(N[6]C[6]2)(N[5]S[5]){2|C<4>,4|H<1>}	114.3380	0.550	2	114.3380	0.303	2	114.3380	0.303	2	114.3380	0.303	2	118.7505	15.366	13	118.6924	14.231	14
856	466	818	0:SP3_SP2_SP3	N[6]	C[6]	C[5]	3:4:4:	3:4:1:1:	3:4:3:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[4,5]-3:B[5]-4:N[6]-3:	N[6](C[5]C[4,5]B[5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[4,5]C[4,5]N[4,6])(B[5]C[6a]2C[5])(N[6]C[6]2)	N[6](C[5]C[4,5]B[5])(C[6]C[6]HH)2{1|N<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[4,5]C[4,5]N[4,6])(B[5]C[6a]2C[5])(N[6]C[6]2){1|B<4>,2|N<3>,4|C<3>,4|C<4>,4|H<1>}	122.0910	2.011	2	122.0910	4.044	2	122.0910	4.044	2	122.0910	4.044	2	118.7505	15.366	13	118.6924	14.231	14
856	466	818	0:SP3_SP2_SP3	N[6]	C[6]	C[5]	3:4:4:	3:4:1:1:	4:3:3:	C[5]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	B[5,5a]-4:C[5,5]-3:N[6]-3:	N[6](C[5]B[5,5a]C[5,5])(C[6]C[6]HH)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](B[5,5a]N[5,6]O[5a]2)(C[5,5]C[5,5]N[5,6])(N[6]C[6]2)	N[6](C[5]B[5,5a]C[5,5])(C[6]C[6]HH)2{1|C<3>,1|C<4>,2|N<4>,2|O<2>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[5](B[5,5a]N[5,6]O[5a]2)(C[5,5]C[5,5]N[5,6])(N[6]C[6]2){1|B<4>,3|C<3>,4|H<1>,6|C<4>}	111.8440	0.000	1	111.8440	0.000	1	111.8440	0.000	1	111.8440	0.000	1	118.7505	15.366	13	118.6924	14.231	14
856	466	818	0:SP3_SP2_SP3	N[6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:2:	C[6]-4:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[5]-3:N[6]-3:N[5]-2:	N[6](C[6]C[6]HH)2(C[5]N[5]2)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[5](N[5]C[5]H)(N[6]C[6]2)(N[5]C[5])	N[6](C[6]C[6]HH)2(C[5]N[5]2){1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[5](N[5]C[5]H)(N[6]C[6]2)(N[5]C[5]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	120.8675	3.560	2	120.8675	12.676	2	119.8058	11.704	6	119.8058	11.704	6	118.7505	15.366	13	118.6924	14.231	14
856	466	818	0:SP3_SP2_SP3	N[6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:2:	C[6]-4:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[5]-3:N[6]-3:N[5]-2:	N[6](C[6]C[6]HH)2(C[5]N[5]2)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[5](N[5]C[6a]C[5])(N[6]C[6]2)(N[5]C[5])	N[6](C[6]C[6]HH)2(C[5]N[5]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<4>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[6]C[6]2)(N[5]C[5]){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	119.2750	3.762	4	119.2750	14.155	4	119.8058	11.704	6	119.8058	11.704	6	118.7505	15.366	13	118.6924	14.231	14
856	466	818	0:SP3_SP2_SP3	N[6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:3:	C[6]-4:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-3:C[5]-3:N[6]-3:	N[6](C[6]C[6]HH)2(C[5]C[5]2)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5]C[5]N)(C[5]N[5]C)(N[6]C[6]2)	N[6](C[6]C[6]HH)2(C[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]N)(C[5]N[5]C)(N[6]C[6]2){2|C<4>,5|H<1>}	120.1095	1.479	2	120.1095	2.186	2	120.1095	2.186	2	120.1095	2.186	2	118.7505	15.366	13	118.6924	14.231	14
856	466	818	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[5,6,6]	3:4:1:	3:3:3:1:	4:3:3:	C[5,6,6]-3:C[3x6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	C[5,3x6]-4:N[6,6]-3:C[5]-3:	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]H)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]H)(C[5]C[5]H)	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H){1|H<1>,1|S<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]H)(C[5]C[5]H){1|H<1>,5|C<3>}	114.9070	0.000	1	114.9070	0.000	1	114.9070	0.000	1	114.0250	0.609	3	113.9705	1.839	6	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[5,6,6]	3:4:1:	3:3:3:1:	4:3:3:	C[5,6,6]-3:C[3x6]-4:O-1:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	C[5,3x6]-4:N[6,6]-3:C[5]-3:	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]O)(C[5]C[5]H)	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(O){1|H<1>,1|S<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]O)(C[5]C[5]H){1|H<1>,5|C<3>}	113.5840	0.226	2	113.5840	0.051	2	113.5840	0.051	2	114.0250	0.609	3	113.9705	1.839	6	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[5,6,6]	3:4:2:	3:3:3:1:	4:3:3:	C[5,6,6]-3:C[3x6]-4:O-2:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	C[5,3x6]-4:N[6,6]-3:C[5]-3:	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(OB)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]O)(C[5]C[5]H)	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(OB){1|H<1>,1|S<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]O)(C[5]C[5]H){1|H<1>,5|C<3>}	115.0655	0.179	2	115.0655	0.032	2	115.0655	0.032	2	115.0655	0.032	2	113.9705	1.839	6	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[5,6,6]	3:4:4:	3:3:3:1:	4:3:3:	C[5,6,6]-3:C[3x6]-4:B-4:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	C[5,3x6]-4:N[6,6]-3:C[5]-3:	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(BC[6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]B)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]B)(C[5]C[5]H)	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(BC[6a]3){1|H<1>,1|S<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]B)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]B)(C[5]C[5]H){1|H<1>,5|C<3>}	111.6170	0.000	1	111.6170	0.000	1	111.6170	0.000	1	111.6170	0.000	1	113.9705	1.839	6	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[5,6]	4:3:4:	3:4:4:1:	3:4:3:	C[6,6]-4:C[5,6]-3:C[3x6]-4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:C[5,6]-4:C[5]-3:	N[6,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[3x6]C[6,6]2H)	C[3x6](N[6,6]C[5,6]C[6,6])(C[6,6]C[6]2H)2(H)	C[5,6](N[6,6]C[3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[3x6]C[6,6]2H){1|C<3>,6|H<1>,7|C<4>}	C[3x6](N[6,6]C[5,6]C[6,6])(C[6,6]C[6]2H)2(H){1|C<3>,1|N<3>,3|C<4>,9|H<1>}	C[5,6](N[6,6]C[3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	121.7100	0.000	1	121.7100	0.000	1	121.7100	0.000	1	121.7100	0.000	1	121.7100	0.000	1	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[5,6]	4:3:3:	3:3:3:1:	3:3:2:	C[6,6]-4:C[5,6]-3:C[6]-3:	N[5,6]-3:N[6,6]-3:C[6]-3:H-1:	N[5,6]-3:N[6,6]-3:N[5]-2:	N[6,6](C[6,6]N[5,6]C[6]H)(C[5,6]N[5,6]N[5])(C[6]C[6]H)	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[5,6]C[6])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(N[5]C[5])	N[6,6](C[6,6]N[5,6]C[6]H)(C[5,6]N[5,6]N[5])(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(N[5]C[5]){2|C<3>,2|N<3>,6|H<1>}	118.0460	0.000	1	118.0460	0.000	1	118.0460	0.000	1	118.0460	0.000	1	118.0460	0.000	1	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6,6]	C[6]	C[5,6,6]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:N[6,6]-3:	N[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(N[6,6]C[6]2)	N[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,3|H<1>,5|C<4>}	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(N[6,6]C[6]2){10|H<1>,1|O<1>,2|C<4>}	114.9860	0.000	1	114.9860	0.000	1	114.9860	0.000	1	114.9860	0.000	1	120.4652	3.425	13	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6,6]	C[6]	C[5,6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:N[6,6]-3:	N[6,6](C[5,6,6]N[5,6]2)(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](N[5,6]B[5,5]C[6])2(N[6,6]C[6]2)	N[6,6](C[5,6,6]N[5,6]2)(C[6]C[6]HH)2{2|B<4>,2|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<4>,2|N<3>,4|H<1>}	C[5,6,6](N[5,6]B[5,5]C[6])2(N[6,6]C[6]2){2|C<2>,2|C<4>,2|N<3>,8|H<1>}	120.8630	1.130	4	120.9218	0.779	12	120.9218	0.779	12	120.9218	0.779	12	120.4652	3.425	13	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6,6]	C[6]	C[5,6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:N[6,6]-3:	N[6,6](C[5,6,6]N[5,6]2)(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](N[5,6]B[5,5]C[6])2(N[6,6]C[6]2)	N[6,6](C[5,6,6]N[5,6]2)(C[6]C[6]HH)2{2|B<4>,2|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<4>,2|N<3>,4|H<1>}	C[5,6,6](N[5,6]B[5,5]C[6])2(N[6,6]C[6]2){2|C<4>,2|N<3>,2|O<2>,8|H<1>}	121.2827	1.041	4	120.9218	0.779	12	120.9218	0.779	12	120.9218	0.779	12	120.4652	3.425	13	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6,6]	C[6]	C[5,6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:N[6,6]-3:	N[6,6](C[5,6,6]N[5,6]2)(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](N[5,6]B[5,5]C[6])2(N[6,6]C[6]2)	N[6,6](C[5,6,6]N[5,6]2)(C[6]C[6]HH)2{2|B<4>,2|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<4>,2|N<3>,4|H<1>}	C[5,6,6](N[5,6]B[5,5]C[6])2(N[6,6]C[6]2){2|C<4>,4|N<3>,8|H<1>}	120.6197	0.444	4	120.9218	0.779	12	120.9218	0.779	12	120.9218	0.779	12	120.4652	3.425	13	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6]	C[6,6]	C[5,6]	3:4:1:	3:4:4:3:	3:3:4:	C[5,6]-3:C[6,6]-4:H-1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[5,6]-3:N[6]-3:C[5]-4:	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2N[6])(H)	C[6,6](N[6]C[5,6]H)(C[6]C[6]HH)2(N[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6]H)(C[5]C[5]HH)	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2N[6])(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](N[6]C[5,6]H)(C[6]C[6]HH)2(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	117.3560	0.000	1	117.3560	0.000	1	117.3560	0.000	1	117.3560	0.000	1	117.3560	0.000	1	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:1:	3:3:3:3:	3:3:2:	C[5,6]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:C[6]-3:	N[5,6]-3:N[6]-3:S[5]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]2C[6])(H)	C[6](C[6a]C[6a]2)2(N[6]C[5,6]H)(C[6]C[6]H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6]H)(S[5]C[5])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]2C[6])(H){1|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)2(N[6]C[5,6]H)(C[6]C[6]H){1|Re<6>,1|N<3>,1|S<2>,4|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6]H)(S[5]C[5]){1|Re<6>,2|H<1>,3|C<3>}	118.0920	0.000	1	118.0920	0.000	1	118.0920	0.000	1	118.0920	0.000	1	118.1455	8.551	20	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	119.1920	0.000	1	119.1920	0.000	1	119.1920	0.000	1	121.2275	8.287	2	118.1455	8.551	20	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:N[6]-3:	N[6](C[5,6]N[5,6]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[5]C[5]C)(N[6]C[6]H)	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(N[6]C[6]H){1|O<1>,2|C<4>,5|H<1>}	123.2630	0.000	1	123.2630	0.000	1	123.2630	0.000	1	121.2275	8.287	2	118.1455	8.551	20	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:N[6]-3:	N[6](C[5,6]N[5,6]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[5]C[5]HH)(N[6]C[6]H)	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H){1|C<4>,8|H<1>}	120.7420	0.000	1	120.7420	0.000	1	120.0895	0.852	2	120.0895	0.852	2	118.1455	8.551	20	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:N[6]-3:	N[6](C[5,6]N[5,6]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[5]C[5]HP)(N[6]C[6]H)	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H){1|P<3>,3|C<4>,3|H<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HP)(N[6]C[6]H){1|C<4>,8|H<1>}	119.4370	0.000	1	119.4370	0.000	1	120.0895	0.852	2	120.0895	0.852	2	118.1455	8.551	20	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:1:	3:4:1:1:	4:3:2:	C[5,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[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](C[5,6]C[5]C[6]C)(N[6]C[6]H)(N[5]C[5])	N[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H){1|C<2>,2|H<1>,3|C<4>}	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(N[6]C[6]H)(N[5]C[5]){2|C<4>,7|H<1>}	119.6330	0.000	1	119.6330	0.000	1	119.6330	0.000	1	119.6330	0.000	1	118.1455	8.551	20	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[5,6,6]-3:N[5]-3:N[6]-3:	N[6](C[5,6]N[5,6,6]N[5])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]HH)(N[6]C[5,6]H)(CC[6a]HH)(H)	C[5,6](N[5,6,6]C[5,6]C[6,6])(N[5]C[5]H)(N[6]C[6]H)	N[6](C[5,6]N[5,6,6]N[5])(C[6]C[6]CH)(H){3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[5,6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,2|N<3>}	C[5,6](N[5,6,6]C[5,6]C[6,6])(N[5]C[5]H)(N[6]C[6]H){4|C<4>,5|H<1>}	119.6150	0.000	1	119.6150	0.000	1	119.6150	0.000	1	119.6150	0.000	1	118.1455	8.551	20	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:1:	4:3:4:4:	3:3:3:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:C-4:	N[5,5,6]-3:N[5]-3:N[6]-3:	N[6](C[5,6]N[5,5,6]N[5])(C[6]C[6]CC)(H)	C[6](C[6]C[5,6]HH)(N[6]C[5,6]H)(CH3)2	C[5,6](N[5,5,6]C[5,5]C[5,6])(N[5]C[5]H)(N[6]C[6]H)	N[6](C[5,6]N[5,5,6]N[5])(C[6]C[6]CC)(H){3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[5,6]H)(CH3)2{1|C<4>,1|O<2>,2|N<3>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(N[5]C[5]H)(N[6]C[6]H){1|O<2>,3|H<1>,5|C<4>}	119.1890	0.000	1	119.1890	0.000	1	119.1890	0.000	1	119.1890	0.000	1	118.1455	8.551	20	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:3:	3:3:4:1:	3:2:3:	C[5,6]-3:C[6]-4:C-3:	C[6a]-3:N[6]-3:C[6]-4:H-1:	N[5,6]-3:S[5]-2:N[6]-3:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)(CCO)	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(C[6]C[6]CH)(H)	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6]C)	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)(CCO){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(C[6]C[6]CH)(H){1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	120.1410	0.000	1	120.1410	0.000	1	120.1410	0.000	1	120.1410	0.000	1	118.1455	8.551	20	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:3:	3:3:4:1:	3:3:3:	C[5,6]-3:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:N[6]-3:C[5]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)	C[6](N[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[6]O[5])(N[6]C[6a]C[6])(C[5]C[5]H)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2){2|O<2>,4|H<1>,6|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){2|H<1>,7|C<3>}	C[5,6](C[5,6]C[6]O[5])(N[6]C[6a]C[6])(C[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	117.5420	0.000	1	117.5420	0.000	1	117.5420	0.000	1	117.5420	0.000	1	118.1455	8.551	20	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:N[6]-3:	N[6](C[5,6]N[5,6]C[5])(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)	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCO){3|C<4>,4|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[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C){1|C<4>,8|H<1>}	119.0770	0.000	1	119.0770	0.000	1	118.9565	0.029	2	118.9565	0.029	2	118.1455	8.551	20	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:N[6]-3:	N[6](C[5,6]N[5,6]C[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](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(COO){3|C<4>,4|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[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C){1|C<4>,8|H<1>}	118.8360	0.000	1	118.8360	0.000	1	118.9565	0.029	2	118.9565	0.029	2	118.1455	8.551	20	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(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])(N[6]C[6]S)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]S){1|C<4>,3|C<3>,6|H<1>}	112.3010	0.116	2	112.3010	0.013	2	112.3010	0.013	2	112.3010	0.013	2	118.1455	8.551	20	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:N[6]-3:	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[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(N[6]C[6]C)	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[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(N[6]C[6]C){1|C<4>,8|H<1>}	120.5620	0.000	1	120.5620	0.000	1	120.6800	0.028	2	120.6800	0.028	2	118.1455	8.551	20	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:N[6]-3:	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[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(N[6]C[6]C)	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[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(N[6]C[6]C){1|C<4>,8|H<1>}	120.7980	0.000	1	120.7980	0.000	1	120.6800	0.028	2	120.6800	0.028	2	118.1455	8.551	20	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:N[6]-3:	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[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]C)(N[6]C[6]C)	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[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]C)(N[6]C[6]C){1|O<1>,2|C<4>,4|H<1>}	115.5435	0.117	2	115.5435	0.014	2	115.5435	0.014	2	115.5435	0.014	2	118.1455	8.551	20	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:4:	3:4:4:1:	3:3:3:	C[5,6]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[5]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(N[6]C[6]S)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(SC[6a]OO){1|O<1>,2|H<1>,3|C<4>}	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(N[6]C[6]S){3|C<4>,6|H<1>}	113.6270	0.000	1	113.6270	0.000	1	113.6270	0.000	1	113.6270	0.000	1	118.1455	8.551	20	118.3308	9.737	42
856	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:3:4:	B[5a]-4:C[5,6]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[6]-3:C[5]-4:	N[6](B[5a]B[5a]O[5a]2)(C[5,6]N[5,6]C[5])(C[6]C[6]HH)	C[6](N[6]C[5,6]B[5a])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(N[6]B[5a]C[6])(C[5]C[5]HH)	N[6](B[5a]B[5a]O[5a]2)(C[5,6]N[5,6]C[5])(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](N[6]C[5,6]B[5a])(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[5,6](N[5,6]C[5]C[6])(N[6]B[5a]C[6])(C[5]C[5]HH){1|B<4>,1|C<4>,2|O<2>,8|H<1>}	117.4740	0.000	1	117.4740	0.000	1	117.4740	0.000	1	117.4740	0.000	1	118.1455	8.551	20	118.3308	9.737	42
856	466	818	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[5,6]	3:4:4:	3:3:4:1:	3:3:3:	C[5,6]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6]-3:C[6]-4:H-1:	N[6,6]-3:C[5,6]-3:C[5]-3:	N[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[5,6]C[6])(N[6]C[6,6a]H)(C[6]C[6]HH)(H)	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]N[5]O)	N[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[5,6]C[6])(N[6]C[6,6a]H)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]N[5]O){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	114.2120	0.000	1	114.2120	0.000	1	114.2120	0.000	1	114.2120	0.000	1	114.2120	0.000	1	113.3350	2.939	6
856	466	818	6:SP3_SP2_SP3	N[6]	C[6]	C[5,6,6]	3:4:4:	3:4:1:1:	4:3:3:	C[5,6,6]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-3:N[6]-3:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[5,6,6]S)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]C[6])(N[6]C[6]S)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[6]C[5,6,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]C[6])(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	111.8240	0.000	1	111.8240	0.000	1	111.8240	0.000	1	111.8240	0.000	1	111.8240	0.000	1	113.3350	2.939	6
856	466	818	6:SP3_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:1:	3:4:4:1:	3:3:3:	C[5,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:N[5]-3:N[6]-3:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]CH)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]H)	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]CH)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	116.3740	0.000	1	116.3740	0.000	1	116.3740	0.000	1	116.3740	0.000	1	113.4935	3.847	4	113.3350	2.939	6
856	466	818	6:SP3_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:3:	3:3:1:1:	3:3:3:	C[5,6]-3:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CC[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(N[6]C[6]C)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CC[6a]N){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2{1|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(N[6]C[6]C){1|Cl<1>,3|H<1>,5|C<3>}	112.3350	0.000	1	112.3350	0.000	1	112.3350	0.000	1	112.3350	0.000	1	113.4935	3.847	4	113.3350	2.939	6
856	466	818	6:SP3_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:4:	3:3:2:1:	3:3:3:	C[5,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:O-2:H-1:	C[5,6]-3:N[5]-3:N[6]-3:	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[5,6](C[5,6]C[5]N[6])(N[5]C[5]C)(N[6]C[6]C)	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[5,6](C[5,6]C[5]N[6])(N[5]C[5]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	113.0900	0.000	1	113.0900	0.000	1	113.0900	0.000	1	113.0900	0.000	1	113.4935	3.847	4	113.3350	2.939	6
856	466	818	6:SP3_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(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])(N[6]C[6]S)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]S){1|C<4>,3|C<3>,6|H<1>}	112.1750	0.000	1	112.1750	0.000	1	112.1750	0.000	1	112.1750	0.000	1	113.4935	3.847	4	113.3350	2.939	6
856	466	846	0:SP2_SP2_SP3	N[6]	C[6]	C[4]	3:4:4:	3:4:1:1:	4:3:3:	C[4]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	B[4]-4:C[4]-3:N[6]-3:	N[6](C[4]B[4]C[4])(C[6]C[6]HH)2	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	C[4](B[4]N[4,6]C[6a]Cl)(C[4]N[4,6]B)(N[6]C[6]2)	N[6](C[4]B[4]C[4])(C[6]C[6]HH)2{1|Cl<1>,1|B<3>,1|C<3>,1|C<4>,1|N<4>,4|H<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[4](B[4]N[4,6]C[6a]Cl)(C[4]N[4,6]B)(N[6]C[6]2){2|C<3>,4|C<4>,4|H<1>}	123.2945	2.733	4	123.2945	7.468	4	123.2945	7.468	4	123.2945	7.468	4	122.4337	4.766	10	122.4337	4.766	10
856	466	846	0:SP2_SP2_SP3	N[6]	C[6]	C[4]	4:4:3:	3:4:1:1:	4:3:3:	C[6]-4:C[6]-4:C[4]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[4]-4:C[4]-3:N[6]-3:	N[6](C[6]C[6]HH)2(C[4]C[4]2)	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	C[4](C[4]C[4]N[6]Sn)(C[4]C[4]N[6])(N[6]C[6]2)	N[6](C[6]C[6]HH)2(C[4]C[4]2){1|Sn<5>,1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[4](C[4]C[4]N[6]Sn)(C[4]C[4]N[6])(N[6]C[6]2){1|N<3>,4|H<1>,6|C<4>}	122.7785	1.266	4	122.7785	1.603	4	122.7785	1.603	4	122.7785	1.603	4	122.4337	4.766	10	122.4337	4.766	10
856	466	846	0:SP2_SP2_SP3	N[6]	C[6]	C[4]	4:4:3:	3:4:4:1:	3:3:3:	C[6]-4:C[6]-4:C[4]-3:	N[6]-3:C[6]-4:C-4:H-1:	N[4]-3:N[4]-3:N[6]-3:	N[6](C[6]C[6]CH)2(C[4]N[4]2)	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(CH3)(H)	C[4](N[4]C[6a]In[4])2(N[6]C[6]2)	N[6](C[6]C[6]CH)2(C[4]N[4]2){1|In<4>,1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(CH3)(H){2|C<4>,2|N<3>,3|H<1>}	C[4](N[4]C[6a]In[4])2(N[6]C[6]2){1|Cl<1>,1|In<4>,2|H<1>,4|C<3>,4|C<4>}	120.0225	0.783	2	120.0225	0.613	2	120.0225	0.613	2	120.0225	0.613	2	122.4337	4.766	10	122.4337	4.766	10
856	466	846	0:SP3_SP2_SP3	N[6]	C[6]	C[4]	4:4:3:	3:4:1:1:	3:3:3:	C[6]-4:C[6]-4:C[4]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[4]-3:C[4]-3:N[6]-3:	N[6](C[6]C[6]HH)2(C[4]C[4]2)	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	C[4](C[4]C[4]N[6])2(N[6]C[6]2)	N[6](C[6]C[6]HH)2(C[4]C[4]2){2|C<4>,2|N<3>,4|H<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[4](C[4]C[4]N[6])2(N[6]C[6]2){1|Sn<5>,1|N<3>,4|H<1>,6|C<4>}	117.7855	0.262	2	117.7855	0.069	2	117.7855	0.069	2	117.7855	0.069	2	117.7855	0.069	2	117.7855	0.069	2
856	466	846	6:SP2_SP2_SP3	N[6,6]	C[6]	C[4,6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[4,6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[4,6]-3:N[4,6]-3:N[6,6]-3:	N[6,6](C[4,6,6]N[4,6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[4,6,6]C[6])(C[6]C[6]HH)(H)2	C[4,6,6](N[4,6]C[6]S[4])2(N[6,6]C[6]2)	N[6,6](C[4,6,6]N[4,6]2)(C[6]C[6]HH)2{1|S<2>,2|C<4>,4|H<1>}	C[6](N[6,6]C[4,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[4,6,6](N[4,6]C[6]S[4])2(N[6,6]C[6]2){2|C<4>,8|H<1>}	117.8765	0.619	2	117.8765	0.383	2	117.8765	0.383	2	117.8765	0.383	2	117.8765	0.383	2	115.7377	13.915	3
856	466	846	6:SP2_SP2_SP3	N[6]	C[6]	C[4,6]	3:4:4:	4:3:1:1:	4:3:3:	C[4,6]-3:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[4,6,6]-4:C[4]-3:N[6]-3:	N[6](C[4,6]C[4,6,6]C[4])(C[6]C[6,6]HH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[4,6]S)(H)2	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]C[6a])(N[6]C[6]S)	N[6](C[4,6]C[4,6,6]C[4])(C[6]C[6,6]HH)(SC[6a]OO){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[4,6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]C[6a])(N[6]C[6]S){2|C<3>,2|C<4>,5|H<1>}	111.4600	0.000	1	111.4600	0.000	1	111.4600	0.000	1	111.4600	0.000	1	111.4600	0.000	1	115.7377	13.915	3
856	466	846	6:SP3_SP2_SP3	N[6]	C[6]	C[4,6]	3:4:4:	4:3:1:1:	4:3:3:	C[4,6]-3:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[4,6,6]-4:C[4]-3:N[6]-3:	N[6](C[4,6]C[4,6,6]C[4])(C[6]C[6,6]HH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[4,6]S)(H)2	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]C[6a])(N[6]C[6]S)	N[6](C[4,6]C[4,6,6]C[4])(C[6]C[6,6]HH)(SC[6a]OO){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[4,6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]C[6a])(N[6]C[6]S){2|C<3>,2|C<4>,5|H<1>}	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1
856	466	849	0:SP2_SP3_SP3	N[6]	C[6]	P[6]	4:4:4:	3:4:1:1:	3:2:2:1:	P[6,6]-4:P[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:Cl-1:	N[6](P[6,6]N[6]2O[6])(P[6]N[6]2Cl)(C[6]C[6]HH)	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2	P[6](N[6]P[6,6]C[6])(N[6]P[6,6])(N[6]P[6])(Cl)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]2Cl)(C[6]C[6]HH){1|C<4>,2|H<1>,4|P<4>}	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|H<1>,4|N<2>}	P[6](N[6]P[6,6]C[6])(N[6]P[6,6])(N[6]P[6])(Cl){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,2|O<2>,3|N<2>}	118.3560	0.000	1	118.3560	0.000	1	119.1153	0.432	3	119.1153	0.432	3	119.1153	0.432	3	119.1153	0.432	3
856	466	849	0:SP2_SP3_SP3	N[6]	C[6]	P[6]	4:4:4:	3:4:1:1:	3:2:2:1:	P[6,6]-4:P[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:Cl-1:	N[6](P[6,6]N[6]2O[6])(P[6]N[6]2Cl)(C[6]C[6]HH)	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2	P[6](N[6]P[6,6]C[6])(N[6]P[6])2(Cl)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]2Cl)(C[6]C[6]HH){1|C<4>,2|H<1>,4|P<4>}	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|H<1>,4|N<2>}	P[6](N[6]P[6,6]C[6])(N[6]P[6])2(Cl){4|Cl<1>,1|C<4>,1|O<2>,2|H<1>,3|N<2>}	119.4950	0.000	2	119.4950	0.000	2	119.1153	0.432	3	119.1153	0.432	3	119.1153	0.432	3	119.1153	0.432	3
856	466	849	0:SP3_SP3_SP3	N[6,6]	C[6]	P[6,6]	4:4:4:	3:3:1:1:	3:2:2:2:	C[6,6]-4:P[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:O[6]-2:N[6]-2:N[6]-2:	N[6,6](C[6,6]C[6,6a]O[6]H)(P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]P[6,6])(H)2	P[6,6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(N[6]P[6])2	N[6,6](C[6,6]C[6,6a]O[6]H)(P[6,6]N[6]2O[6])(C[6]C[6,6a]HH){2|P<4>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]P[6,6])(H)2{1|H<1>,2|N<2>,2|O<2>,4|C<3>}	P[6,6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(N[6]P[6])2{4|Cl<1>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	117.8980	0.000	1	117.8980	0.000	1	117.8980	0.000	1	117.8980	0.000	1	117.8980	0.000	1	119.3742	7.325	24
856	466	849	0:SP3_SP3_SP3	N[6,6]	C[6]	P[6]	4:3:4:	3:4:1:1:	3:3:2:1:	P[6]-4:N[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6,6]-3:O-2:S-1:	N[6,6](P[6]N[6,6]OS)(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](N[6,6]N[6,6]P[6])(C[6]C[6]HH)(H)2	P[6](N[6,6]N[6,6]C[6])2(OC[6a])(S)	N[6,6](P[6]N[6,6]OS)(N[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](N[6,6]N[6,6]P[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<1>,2|H<1>}	P[6](N[6,6]N[6,6]C[6])2(OC[6a])(S){1|C<3>,4|C<4>,4|H<1>}	124.0035	0.951	2	124.0035	0.905	2	124.0035	0.905	2	124.0035	0.905	2	121.4188	9.245	4	119.3742	7.325	24
856	466	849	0:SP3_SP3_SP3	N[6,6]	C[6]	P[6]	5:4:4:	3:4:1:1:	3:3:3:3:	In[3x6]-5:P[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](In[3x6]N[6,6]O[6]2O)(P[6]C[6,6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6,6]In[3x6]P[6])(C[6]C[6]CC)(H)2	P[6](C[6,6a]C[6,6a]C[6a])(N[6,6]In[3x6]C[6])(C[6a]C[6a]2)2	N[6,6](In[3x6]N[6,6]O[6]2O)(P[6]C[6,6a]C[6a]2)(C[6]C[6]HH){1|P<4>,3|C<4>,7|C<3>}	C[6](N[6,6]In[3x6]P[6])(C[6]C[6]CC)(H)2{1|N<3>,2|H<1>,3|C<3>,3|O<2>}	P[6](C[6,6a]C[6,6a]C[6a])(N[6,6]In[3x6]C[6])(C[6a]C[6a]2)2{1|C<4>,1|N<3>,3|O<2>,6|C<3>,7|H<1>}	118.8340	0.328	2	118.8340	0.108	2	118.8340	0.108	2	118.8340	0.108	2	121.4188	9.245	4	119.3742	7.325	24
856	466	849	0:SP3_SP3_SP3	N[6]	C[6]	P[6]	4:4:4:	3:4:1:1:	3:2:2:1:	C[6]-4:C[6]-4:P[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:O[6]-2:O[6]-2:O-1:	N[6](C[6]C[6]HH)2(P[6]O[6]2O)	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2	P[6](N[6]C[6]2)(O[6]C[6])2(O)	N[6](C[6]C[6]HH)2(P[6]O[6]2O){1|N<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2{1|C<4>,1|O<1>,1|P<4>,2|H<1>,2|O<2>}	P[6](N[6]C[6]2)(O[6]C[6])2(O){1|C<3>,3|C<4>,7|H<1>}	122.4575	0.920	2	122.4575	0.846	2	122.4575	0.846	2	120.0174	7.741	7	119.0214	6.637	19	119.3742	7.325	24
856	466	849	0:SP3_SP3_SP3	N[6]	C[6]	P[6]	4:4:4:	3:4:1:1:	3:2:2:1:	C[6]-4:C[6]-4:P[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:O[6]-2:O[6]-2:S-1:	N[6](C[6]C[6]HH)2(P[6]O[6]2S)	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2	P[6](N[6]C[6]2)(O[6]C[6])2(S)	N[6](C[6]C[6]HH)2(P[6]O[6]2S){1|N<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2{1|C<4>,1|P<4>,1|S<1>,2|H<1>,2|O<2>}	P[6](N[6]C[6]2)(O[6]C[6])2(S){3|C<4>,8|H<1>}	116.2340	0.724	2	116.2340	0.524	2	116.2340	0.524	2	120.0174	7.741	7	119.0214	6.637	19	119.3742	7.325	24
856	466	849	0:SP3_SP3_SP3	N[6]	C[6]	P[6]	4:4:4:	3:4:1:1:	3:2:2:1:	P[6,6]-4:P[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:Cl-1:	N[6](P[6,6]N[6]3)(P[6]N[6]2Cl)(C[6]C[6]HH)	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2	P[6](N[6]P[6,6]C[6])(N[6]P[6,6])(N[6]P[6])(Cl)	N[6](P[6,6]N[6]3)(P[6]N[6]2Cl)(C[6]C[6]HH){2|C<4>,2|H<1>,4|P<4>}	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|H<1>,4|N<2>}	P[6](N[6]P[6,6]C[6])(N[6]P[6,6])(N[6]P[6])(Cl){2|Cl<1>,1|C<4>,2|H<1>,3|N<2>,3|N<3>}	120.9890	0.000	1	120.9890	0.000	1	120.9890	0.000	1	120.0174	7.741	7	119.0214	6.637	19	119.3742	7.325	24
856	466	849	0:SP3_SP3_SP3	N[6]	C[6]	P[6]	4:4:4:	3:4:1:1:	3:2:2:1:	P[6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:Cl-1:	N[6](P[6]N[6]2Cl)(C[6]C[6]HH)2	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2	P[6](N[6]C[6]2)(N[6]P[6])2(Cl)	N[6](P[6]N[6]2Cl)(C[6]C[6]HH)2{1|C<4>,2|P<4>,4|H<1>}	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|N<2>,4|H<1>}	P[6](N[6]C[6]2)(N[6]P[6])2(Cl){2|Cl<1>,1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	120.8750	1.457	2	120.8750	2.122	2	120.8750	2.122	2	120.0174	7.741	7	119.0214	6.637	19	119.3742	7.325	24
856	466	849	0:SP3_SP3_SP3	N[6]	C[6]	P[6]	4:4:4:	3:4:1:1:	3:2:2:2:	C[6]-4:C[6]-4:P[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:O-2:	N[6](C[6]C[6]HH)2(P[6]N[6]2O)	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2	P[6](N[6]C[6]2)(N[6]P[6])2(OC)	N[6](C[6]C[6]HH)2(P[6]N[6]2O){1|C<4>,2|P<4>,4|H<1>}	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|N<2>,4|H<1>}	P[6](N[6]C[6]2)(N[6]P[6])2(OC){1|N<2>,1|N<3>,2|C<4>,3|O<2>,4|H<1>}	116.2280	2.056	2	116.2280	4.228	2	116.2280	4.228	2	116.2280	4.228	2	119.0214	6.637	19	119.3742	7.325	24
856	466	849	0:SP3_SP3_SP3	N[6]	C[6]	P[6]	4:4:4:	3:4:1:1:	3:3:2:2:	P[6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6]C[6a]N[6]2)(C[6]C[6]HH)2	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2	P[6](C[6a]C[6a]2)(N[6]C[6]2)(N[6]P[6])2	N[6](P[6]C[6a]N[6]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|P<4>,4|H<1>}	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<2>,4|H<1>}	P[6](C[6a]C[6a]2)(N[6]C[6]2)(N[6]P[6])2{3|Cl<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>,6|H<1>}	120.2300	1.701	2	120.2300	2.894	2	120.2300	2.894	2	120.2300	2.894	2	119.0214	6.637	19	119.3742	7.325	24
856	466	849	0:SP3_SP3_SP3	N[6]	C[6]	P[6]	4:4:4:	3:4:1:1:	3:3:3:3:	P[6]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:N[6]-3:N[6]-3:	N[6](P[6]C[6]2N[6])(C[6]C[6]HH)2	C[6](N[6]C[6]P[6])(C[6]O[6]HH)(H)2	P[6](C[6]C[6]H)2(N[6]C[6]2)2	N[6](P[6]C[6]2N[6])(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](N[6]C[6]P[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	P[6](C[6]C[6]H)2(N[6]C[6]2)2{10|H<1>,1|C<3>,4|C<4>}	117.3492	2.384	4	117.3492	5.681	4	117.3492	5.681	4	117.3492	5.681	4	119.0214	6.637	19	119.3742	7.325	24
856	466	849	0:SP3_SP3_SP3	N[6]	C[6]	P[6]	4:4:4:	4:3:1:1:	2:2:3:3:	C[6]-4:C[6]-4:P[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-2:N[6]-2:N[6]-3:N[6]-3:	N[6](C[6]C[6]HH)2(P[6]N[6]3)	C[6](C[6]C[5,6]HH)(N[6]C[6]P[6])(H)2	P[6](N[6]P[6,6])2(N[6]C[6]2)2	N[6](C[6]C[6]HH)2(P[6]N[6]3){2|P<4>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]P[6])(H)2{1|C<4>,1|N<3>,2|H<1>,2|N<2>,2|O<2>}	P[6](N[6]P[6,6])2(N[6]C[6]2)2{1|N<2>,2|N<3>,2|O<2>,4|C<4>,8|H<1>}	119.7430	1.837	4	119.7430	3.374	4	119.7430	3.374	4	119.7430	3.374	4	119.0214	6.637	19	119.3742	7.325	24
856	466	849	6:SP2_SP3_SP3	N[6,6]	C[6,6]	P[3x6]	4:4:4:	4:3:1:1:	3:3:3:2:	C[6,6]-4:P[3x6]-4:C-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:N[6,6]-3:N-2:	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	P[3x6](N[6,6]C[6,6]C)3(NC[6])	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>}	P[3x6](N[6,6]C[6,6]C)3(NC[6]){1|C<4>,6|H<1>}	115.0710	1.686	3	115.0710	2.843	3	115.0710	2.843	3	115.0710	2.843	3	115.0710	2.843	3	119.5257	10.089	30
856	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6,6]	4:3:4:	3:3:1:1:	3:2:2:2:	P[6,6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:O[6]-2:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C[6a])(H)2	P[6,6](N[6]C[6a]C[6])(O[6]C[6,6a])(N[6]P[6])2	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH){1|H<1>,2|P<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C[6a])(H)2{1|H<1>,1|O<2>,3|C<3>,3|N<2>}	P[6,6](N[6]C[6a]C[6])(O[6]C[6,6a])(N[6]P[6])2{4|Cl<1>,2|H<1>,2|N<2>,3|C<3>}	122.3840	0.857	2	122.3840	0.734	2	122.7560	0.813	4	122.7560	0.813	4	120.3612	9.950	18	119.5257	10.089	30
856	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6,6]	4:3:4:	3:3:1:1:	3:2:2:2:	P[6,6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:O[6]-2:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]C[6a])(H)2	P[6,6](N[6]C[6a]C[6])(O[6]C[6,6a])(N[6]P[6])2	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH){1|H<1>,2|P<4>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]C[6a])(H)2{1|O<2>,3|N<2>,4|C<3>}	P[6,6](N[6]C[6a]C[6])(O[6]C[6,6a])(N[6]P[6])2{2|H<1>,2|N<2>,3|C<3>,4|N<3>}	122.3690	0.000	1	123.1280	1.152	2	122.7560	0.813	4	122.7560	0.813	4	120.3612	9.950	18	119.5257	10.089	30
856	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6,6]	4:3:4:	3:3:1:1:	3:2:2:2:	P[6,6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:O[6]-2:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]C[6a])(H)2	P[6,6](N[6]C[6a]C[6])(O[6]C[6,6a])(N[6]P[6])2	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH){1|H<1>,2|P<4>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]C[6a])(H)2{1|O<2>,3|N<2>,4|C<3>}	P[6,6](N[6]C[6a]C[6])(O[6]C[6,6a])(N[6]P[6])2{4|Cl<1>,2|H<1>,2|N<2>,3|C<3>}	123.8870	0.000	1	123.1280	1.152	2	122.7560	0.813	4	122.7560	0.813	4	120.3612	9.950	18	119.5257	10.089	30
856	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:1:	3:2:1:1:	3:3:3:2:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-2:H-1:H-1:	N[6]-3:N[6]-3:N[6]-3:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	C[6](N[6]P[6,6]H)(C[6]C[6])(H)2	P[6,6](N[6]C[6]H)2(N[6]P[6]H)(N[6]P[6])	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]H)(C[6]C[6])(H)2{1|N<2>,2|H<1>,2|N<3>}	P[6,6](N[6]C[6]H)2(N[6]P[6]H)(N[6]P[6]){1|C<2>,1|N<2>,4|H<1>,4|N<3>}	122.4590	2.312	2	122.4590	5.346	2	122.4590	5.346	2	122.4590	5.346	2	120.3612	9.950	18	119.5257	10.089	30
856	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:1:	3:3:1:1:	2:3:2:2:	P[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	O[6]-2:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]H)(H)2	P[6,6](O[6]C[6,6a])(N[6]C[6]H)(N[6]P[6])2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(H){2|C<3>,2|P<4>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]H)(H)2{1|O<2>,2|N<2>,3|C<3>}	P[6,6](O[6]C[6,6a])(N[6]C[6]H)(N[6]P[6])2{4|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	120.3560	0.000	1	120.3560	0.000	1	120.3560	0.000	1	120.3560	0.000	1	120.3612	9.950	18	119.5257	10.089	30
856	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:1:	3:4:1:1:	2:3:2:2:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-2:N[6]-3:N[6]-2:O[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	115.6250	0.000	1	115.6250	0.000	1	115.6250	0.000	1	115.6250	0.000	1	120.3612	9.950	18	119.5257	10.089	30
856	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:1:	3:4:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{3|Cl<1>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	119.2590	0.000	2	119.2590	0.000	2	121.5117	15.224	3	121.5117	15.224	3	120.3612	9.950	18	119.5257	10.089	30
856	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:1:	3:4:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	P[6,6](N[6]C[6]H)2(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){1|C<4>,2|P<4>,3|H<1>}	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]H)2(N[6]P[6])2{1|C<4>,1|N<2>,4|H<1>,4|N<3>}	126.0170	0.000	1	126.0170	0.000	1	121.5117	15.224	3	121.5117	15.224	3	120.3612	9.950	18	119.5257	10.089	30
856	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:3:1:1:	2:2:3:2:	P[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	O[6]-2:N[6]-2:N[6]-3:N[6]-2:	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	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6])	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>}	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6]){1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	123.5170	0.000	1	123.5170	0.000	1	120.2897	12.569	3	120.2897	12.569	3	120.3612	9.950	18	119.5257	10.089	30
856	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:3:1:1:	2:2:3:2:	P[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	O[6]-2:N[6]-2:N[6]-3:N[6]-2:	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	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6])	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>}	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6]){1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	116.4950	0.000	1	118.6760	9.514	2	120.2897	12.569	3	120.2897	12.569	3	120.3612	9.950	18	119.5257	10.089	30
856	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:3:1:1:	2:2:3:2:	P[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	O[6]-2:N[6]-2:N[6]-3:N[6]-2:	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	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6])	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>}	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6]){2|Cl<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.8570	0.000	1	118.6760	9.514	2	120.2897	12.569	3	120.2897	12.569	3	120.3612	9.950	18	119.5257	10.089	30
856	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	2:3:3:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-2:N[6]-3:N[6]-3:N[6]-2:	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	P[6,6](N[6]P[6,6])(N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])	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>}	P[6,6](N[6]P[6,6])(N[6]C[6]C)(N[6]C[6]H)(N[6]P[6]){1|C<4>,1|N<3>,2|N<2>,2|O<2>,4|H<1>}	119.9970	0.000	1	119.9970	0.000	1	119.9970	0.000	1	119.9970	0.000	1	120.3612	9.950	18	119.5257	10.089	30
856	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	3:2:2:2:	P[6,6]-4:P[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	N[6](P[6,6]N[6]2O[6])(P[6]N[6]2Cl)(C[6]C[6]HH)	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2	P[6,6](N[6]C[6]P[6])(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[6]2Cl)(C[6]C[6]HH){1|C<4>,2|H<1>,4|P<4>}	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|H<1>,4|N<2>}	P[6,6](N[6]C[6]P[6])(N[6]P[6])2(O[6]C[6]){4|Cl<1>,1|C<4>,1|N<3>,3|N<2>,4|H<1>}	116.7830	0.000	1	116.3923	0.114	3	116.3923	0.114	3	116.3923	0.114	3	120.3612	9.950	18	119.5257	10.089	30
856	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	3:2:2:2:	P[6,6]-4:P[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	N[6](P[6,6]N[6]2O[6])(P[6]N[6]2Cl)(C[6]C[6]HH)	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2	P[6,6](N[6]C[6]P[6])(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[6]2Cl)(C[6]C[6]HH){1|C<4>,2|H<1>,4|P<4>}	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|H<1>,4|N<2>}	P[6,6](N[6]C[6]P[6])(N[6]P[6])2(O[6]C[6]){5|Cl<1>,1|C<4>,3|N<2>,4|H<1>}	116.1970	0.000	2	116.3923	0.114	3	116.3923	0.114	3	116.3923	0.114	3	120.3612	9.950	18	119.5257	10.089	30
856	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6]	3:4:4:	3:3:1:1:	3:2:2:1:	C[6a]-3:C[6]-4:P[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:O[6]-2:O-2:O-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]HH)(P[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2	P[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC[6a])(O)	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]HH)(P[6]O[6]OO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2{1|H<1>,1|N<2>,1|O<1>,2|O<2>,3|C<3>}	P[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC[6a])(O){1|N<2>,2|H<1>,3|C<3>}	122.4260	0.000	1	122.4260	0.000	1	122.4260	0.000	1	122.4260	0.000	1	119.3397	5.668	9	119.5257	10.089	30
856	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6]	3:4:4:	3:3:1:1:	3:3:2:1:	C[6a]-3:P[6]-4:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:O[6]-2:O-1:	N[6](C[6a]C[6a]N[6a])(P[6]C[6a]O[6]O)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2	P[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O)	N[6](C[6a]C[6a]N[6a])(P[6]C[6a]O[6]O)(C[6]C[6,6a]HH){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2{1|H<1>,1|N<2>,1|O<1>,1|O<2>,4|C<3>}	P[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O){1|N<2>,4|H<1>,5|C<3>}	120.2930	0.000	1	120.2930	0.000	1	120.2930	0.000	1	120.2930	0.000	1	119.3397	5.668	9	119.5257	10.089	30
856	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6]	4:3:4:	3:3:1:1:	3:2:2:1:	C[6]-4:C[6a]-3:P[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:O[6]-2:O-2:O-1:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(P[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2	P[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC[6a])(O)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(P[6]O[6]OO){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2{1|H<1>,1|O<1>,2|O<2>,4|C<3>}	P[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC[6a])(O){2|H<1>,4|C<3>}	115.1370	0.000	1	115.1370	0.000	1	115.1370	0.000	1	115.1370	0.000	1	119.3397	5.668	9	119.5257	10.089	30
856	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6]	4:4:1:	4:3:1:1:	3:3:3:1:	C[6]-4:P[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:O-1:	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H)	C[6](C[6]C[6]CC)(N[6]P[6]H)(H)2	P[6](N[6]C[6]H)2(NCH)(O)	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(N[6]P[6]H)(H)2{1|O<1>,2|H<1>,2|N<3>}	P[6](N[6]C[6]H)2(NCH)(O){1|C<4>,4|H<1>}	119.1360	0.000	1	119.1360	0.000	1	119.6525	0.534	2	119.6525	0.534	2	119.3397	5.668	9	119.5257	10.089	30
856	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6]	4:4:1:	4:3:1:1:	3:3:3:1:	C[6]-4:P[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:O-1:	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H)	C[6](C[6]C[6]CC)(N[6]P[6]H)(H)2	P[6](N[6]C[6]H)2(NC[6]C)(O)	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(N[6]P[6]H)(H)2{1|O<1>,2|H<1>,2|N<3>}	P[6](N[6]C[6]H)2(NC[6]C)(O){1|C<4>,4|H<1>}	120.1690	0.000	1	120.1690	0.000	1	119.6525	0.534	2	119.6525	0.534	2	119.3397	5.668	9	119.5257	10.089	30
856	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6]	4:4:3:	3:3:1:1:	3:3:2:1:	P[6]-4:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:O[6]-2:S-1:	N[6](P[6]C[6a]O[6]S)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2	P[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(S)	N[6](P[6]C[6a]O[6]S)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2{1|H<1>,1|O<2>,1|S<1>,5|C<3>}	P[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(S){4|H<1>,6|C<3>}	118.3530	0.000	1	118.3530	0.000	1	118.3530	0.000	1	118.3530	0.000	1	119.3397	5.668	9	119.5257	10.089	30
856	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6]	4:4:4:	3:3:3:1:	2:3:2:1:	C[6]-4:P[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	O[6]-2:N[6]-3:O-2:O-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)	P[6](O[6]C[6,6a])(N[6]C[6]C)(OC[6a])(O)	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>}	P[6](O[6]C[6,6a])(N[6]C[6]C)(OC[6a])(O){1|H<1>,3|C<3>}	118.6600	0.000	1	118.6600	0.000	1	118.6600	0.000	1	118.6600	0.000	1	119.3397	5.668	9	119.5257	10.089	30
856	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6]	4:4:4:	3:3:3:1:	2:3:4:1:	C[6]-4:P[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	O[6]-2:N[6]-3:C-4:O-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)	P[6](O[6]C[6,6a])(N[6]C[6]C)(CClHH)(O)	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>}	P[6](O[6]C[6,6a])(N[6]C[6]C)(CClHH)(O){1|H<1>,3|C<3>}	117.2620	0.000	1	117.2620	0.000	1	117.2620	0.000	1	117.2620	0.000	1	119.3397	5.668	9	119.5257	10.089	30
856	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6]	4:4:4:	3:3:4:1:	2:3:4:1:	C[6]-4:P[6]-4:S-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	O[6]-2:N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]CH)(P[6]O[6]CO)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]S)(CH3)(H)	P[6](O[6]C[6,6a])(N[6]C[6]S)(CC3)(O)	N[6](C[6]C[6,6a]CH)(P[6]O[6]CO)(SC[6a]OO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]S)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	P[6](O[6]C[6,6a])(N[6]C[6]S)(CC3)(O){1|C<4>,1|H<1>,2|C<3>}	122.6210	0.000	1	122.6210	0.000	1	122.6210	0.000	1	122.6210	0.000	1	119.3397	5.668	9	119.5257	10.089	30
856	466	849	6:SP3_SP3_SP3	N[6,6]	C[6,6]	P[3x6]	4:4:4:	4:3:1:1:	3:3:3:2:	C[6,6]-4:P[3x6]-4:C-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:N[6,6]-3:N-2:	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	P[3x6](N[6,6]C[6,6]C)3(NC[6])	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>}	P[3x6](N[6,6]C[6,6]C)3(NC[6]){1|C<4>,6|H<1>}	112.9130	1.579	6	112.9130	2.493	6	112.4931	2.266	9	112.4931	2.266	9	113.6523	6.244	12	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6,6]	C[6,6]	P[3x6]	4:4:4:	4:3:1:1:	3:3:3:2:	C[6,6]-4:P[3x6]-4:C-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:N[6,6]-3:N-2:	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	P[3x6](N[6,6]C[6,6]C)3(NS)	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>}	P[3x6](N[6,6]C[6,6]C)3(NS){1|C<4>,6|H<1>}	111.6533	1.114	3	111.6533	1.242	3	112.4931	2.266	9	112.4931	2.266	9	113.6523	6.244	12	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6,6]	C[6,6]	P[3x6]	4:4:4:	4:3:1:1:	3:3:3:4:	C[6,6]-4:P[3x6]-4:C-4:	P[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6,6]-3:N[6,6]-3:B-4:	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	P[3x6](N[6,6]C[6,6]C)3(BH3)	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>}	P[3x6](N[6,6]C[6,6]C)3(BH3){1|P<4>,6|H<1>}	117.1300	1.046	3	117.1300	1.094	3	117.1300	1.094	3	117.1300	1.094	3	113.6523	6.244	12	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6,6]	C[6,6]	P[6,6]	4:4:4:	3:3:2:1:	3:2:2:2:	C[6,6]-4:P[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	N[6,6]-3:O[6]-2:N[6]-2:N[6]-2:	N[6,6](C[6,6]C[6,6a]O[6]H)(P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]P[6,6]C[6])(O[6]C[6,6a])(H)	P[6,6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(N[6]P[6])2	N[6,6](C[6,6]C[6,6a]O[6]H)(P[6,6]N[6]2O[6])(C[6]C[6,6a]HH){2|P<4>,4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]P[6,6]C[6])(O[6]C[6,6a])(H){1|O<2>,2|H<1>,2|N<2>,5|C<3>}	P[6,6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(N[6]P[6])2{4|Cl<1>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	117.5370	0.000	1	117.5370	0.000	1	117.5370	0.000	1	117.5370	0.000	1	117.5370	0.000	1	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:1:	3:3:1:1:	2:3:2:2:	P[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	O[6]-2:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]H)(H)2	P[6,6](O[6]C[6,6a])(N[6]C[6]H)(N[6]P[6])2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(H){2|C<3>,2|P<4>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]H)(H)2{1|O<2>,2|N<2>,3|C<3>}	P[6,6](O[6]C[6,6a])(N[6]C[6]H)(N[6]P[6])2{4|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	120.8640	0.000	1	120.8640	0.000	1	120.8640	0.000	1	120.8640	0.000	1	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:1:	3:4:1:1:	2:2:3:3:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-2:N[6]-2:N[6]-3:N[6]-3:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	P[6,6](N[6]P[6,6])2(N[6]C[6]C)(N[6]C[6]H)	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]P[6,6])2(N[6]C[6]C)(N[6]C[6]H){1|C<4>,1|N<2>,4|H<1>,4|O<2>}	115.6930	0.498	2	115.6930	0.248	2	115.6930	0.248	2	115.6930	0.248	2	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:1:	3:4:1:1:	2:3:2:2:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-2:N[6]-3:N[6]-2:O[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	117.3510	0.000	1	115.2114	5.485	17	115.2114	5.485	17	115.2114	5.485	17	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:1:	3:4:1:1:	2:3:2:2:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-2:N[6]-3:N[6]-2:O[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|S<2>,4|H<1>}	114.5175	2.144	6	115.2114	5.485	17	115.2114	5.485	17	115.2114	5.485	17	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:1:	3:4:1:1:	2:3:2:2:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-2:N[6]-3:N[6]-2:O[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,3|O<2>,4|H<1>}	116.1135	2.308	8	115.2114	5.485	17	115.2114	5.485	17	115.2114	5.485	17	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:1:	3:4:1:1:	2:3:2:2:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-2:N[6]-3:N[6]-2:O[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6]){1|C<4>,1|O<2>,2|N<2>,2|S<2>,4|H<1>}	112.6150	0.151	2	115.2114	5.485	17	115.2114	5.485	17	115.2114	5.485	17	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:1:	3:4:1:1:	2:3:3:2:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-2:N[6]-3:N[6]-3:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	P[6,6](N[6]P[6,6])(N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]P[6,6])(N[6]C[6]C)(N[6]C[6]H)(N[6]P[6]){1|C<4>,1|N<3>,2|N<2>,2|O<2>,4|H<1>}	116.8870	0.000	1	116.8870	0.000	1	116.8870	0.000	1	116.8870	0.000	1	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:1:	3:4:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6]){2|Cl<1>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	127.0490	0.000	1	120.7557	23.098	6	120.7557	23.098	6	120.7557	23.098	6	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:1:	3:4:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6]){2|Cl<1>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	116.6590	0.000	1	120.7557	23.098	6	120.7557	23.098	6	120.7557	23.098	6	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:1:	3:4:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6]){3|Cl<1>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	126.6510	0.000	1	120.7557	23.098	6	120.7557	23.098	6	120.7557	23.098	6	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:1:	3:4:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6]){3|Cl<1>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	118.0900	1.585	2	120.7557	23.098	6	120.7557	23.098	6	120.7557	23.098	6	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:1:	3:4:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6]){3|Cl<1>,1|C<4>,2|N<2>,4|H<1>}	117.9950	0.000	1	120.7557	23.098	6	120.7557	23.098	6	120.7557	23.098	6	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:1:	3:4:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{1|C<4>,1|N<2>,4|C<3>,4|H<1>}	113.9630	0.000	1	117.3483	9.676	14	117.6271	10.151	15	117.6271	10.151	15	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:1:	3:4:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{1|C<4>,1|N<2>,4|H<1>,4|N<3>}	115.1785	2.587	2	117.3483	9.676	14	117.6271	10.151	15	117.6271	10.151	15	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:1:	3:4:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{1|C<4>,1|N<2>,4|H<1>,4|O<2>}	115.1760	0.000	1	117.3483	9.676	14	117.6271	10.151	15	117.6271	10.151	15	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:1:	3:4:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{2|Cl<1>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	119.2910	0.890	2	117.3483	9.676	14	117.6271	10.151	15	117.6271	10.151	15	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:1:	3:4:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{3|Cl<1>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	115.8652	1.259	5	117.3483	9.676	14	117.6271	10.151	15	117.6271	10.151	15	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:1:	3:4:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|P<4>}	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{4|Cl<1>,1|C<4>,1|N<2>,4|H<1>}	121.8240	1.965	3	117.3483	9.676	14	117.6271	10.151	15	117.6271	10.151	15	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:1:	3:4:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	P[6,6](N[6]C[6]H)2(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){1|C<4>,2|P<4>,3|H<1>}	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]H)2(N[6]P[6])2{1|C<4>,1|N<2>,4|H<1>,4|N<3>}	121.5310	0.000	1	121.5310	0.000	1	117.6271	10.151	15	117.6271	10.151	15	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:3:1:1:	2:2:3:2:	P[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	O[6]-2:N[6]-2:N[6]-3:N[6]-2:	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	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6])	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>}	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6]){1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	115.9640	0.000	1	115.9640	0.000	1	117.7404	10.580	7	117.7404	10.580	7	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:3:1:1:	2:2:3:2:	P[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	O[6]-2:N[6]-2:N[6]-3:N[6]-2:	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	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6])	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>}	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6]){1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	113.7370	0.000	1	118.1347	14.929	4	117.7404	10.580	7	117.7404	10.580	7	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:3:1:1:	2:2:3:2:	P[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	O[6]-2:N[6]-2:N[6]-3:N[6]-2:	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	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6])	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>}	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6]){2|Cl<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.6007	3.082	3	118.1347	14.929	4	117.7404	10.580	7	117.7404	10.580	7	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:3:1:1:	2:2:3:2:	P[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	O[6]-2:N[6]-2:N[6]-3:N[6]-2:	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	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6])	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>}	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6]){1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	117.8400	3.859	2	117.8400	14.895	2	117.7404	10.580	7	117.7404	10.580	7	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:3:1:1:	2:3:2:2:	P[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	O[6]-2:N[6]-3:N[6]-2:N[6]-2:	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	P[6,6](O[6]C[6,6a])(N[6]C[6]C)(N[6]P[6])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>}	P[6,6](O[6]C[6,6a])(N[6]C[6]C)(N[6]P[6])2{4|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	125.0820	0.000	1	125.0820	0.000	1	119.7297	28.866	4	119.7297	28.866	4	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:3:1:1:	2:3:2:2:	P[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	O[6]-2:N[6]-3:N[6]-2:N[6]-2:	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	P[6,6](O[6]C[6,6a])(N[6]C[6]C)(N[6]P[6])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>}	P[6,6](O[6]C[6,6a])(N[6]C[6]C)(N[6]P[6])2{1|N<2>,2|C<3>,2|H<1>,4|N<3>}	112.3080	0.000	1	112.3080	0.000	1	119.7297	28.866	4	119.7297	28.866	4	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:3:1:1:	2:3:2:2:	P[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	O[6]-2:N[6]-3:N[6]-2:N[6]-2:	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	P[6,6](O[6]C[6,6a])(N[6]C[6]C)(N[6]P[6])2	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>}	P[6,6](O[6]C[6,6a])(N[6]C[6]C)(N[6]P[6])2{4|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	120.7645	0.853	2	120.7645	0.728	2	119.7297	28.866	4	119.7297	28.866	4	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	2:2:3:3:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-2:N[6]-2:N[6]-3:N[6]-3:	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	P[6,6](N[6]P[6,6])2(N[6]C[6]C)(N[6]C[6]H)	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>}	P[6,6](N[6]P[6,6])2(N[6]C[6]C)(N[6]C[6]H){1|C<4>,1|N<2>,4|H<1>,4|O<2>}	116.7285	1.051	2	116.7285	1.106	2	116.7285	1.106	2	116.7285	1.106	2	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	2:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-2:N[6]-3:N[6]-2:N[6]-2:	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	P[6,6](N[6]P[6,6])(N[6]C[6]C)(N[6]C[6])(N[6]P[6])	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>}	P[6,6](N[6]P[6,6])(N[6]C[6]C)(N[6]C[6])(N[6]P[6]){1|C<4>,1|N<2>,2|N<3>,2|O<2>,4|H<1>}	119.4620	0.000	1	119.4620	0.000	1	119.4620	0.000	1	119.4620	0.000	1	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	2:3:3:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-2:N[6]-3:N[6]-3:N[6]-2:	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	P[6,6](N[6]P[6,6])(N[6]C[6]C)2(N[6]P[6])	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>}	P[6,6](N[6]P[6,6])(N[6]C[6]C)2(N[6]P[6]){2|Cl<1>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	119.2341	4.030	7	119.2341	16.239	7	117.6782	11.658	15	117.6782	11.658	15	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	2:3:3:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-2:N[6]-3:N[6]-3:N[6]-2:	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	P[6,6](N[6]P[6,6])(N[6]C[6]C)2(N[6]P[6])	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>}	P[6,6](N[6]P[6,6])(N[6]C[6]C)2(N[6]P[6]){2|Cl<1>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	117.7340	0.563	4	117.7340	0.317	4	117.6782	11.658	15	117.6782	11.658	15	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	2:3:3:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-2:N[6]-3:N[6]-3:N[6]-2:	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	P[6,6](N[6]P[6,6])(N[6]C[6]C)2(N[6]P[6])	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>}	P[6,6](N[6]P[6,6])(N[6]C[6]C)2(N[6]P[6]){2|Cl<1>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	114.8995	2.379	4	114.8995	5.660	4	117.6782	11.658	15	117.6782	11.658	15	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:N[6]-2:	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	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])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>}	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2{1|Cl<1>,1|C<4>,2|C<3>,2|N<2>,4|H<1>}	120.1900	0.000	1	120.1900	0.000	1	117.0205	7.690	6	117.1393	6.507	7	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:N[6]-2:	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	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])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>}	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2{1|C<4>,1|N<2>,4|H<1>,4|N<3>}	114.1400	0.847	2	114.1400	0.718	2	117.0205	7.690	6	117.1393	6.507	7	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:N[6]-2:	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	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2	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>}	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2{3|Cl<1>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	115.4550	0.000	1	117.8843	4.426	3	117.0205	7.690	6	117.1393	6.507	7	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:N[6]-2:	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	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2	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>}	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2{3|Cl<1>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	119.0990	0.000	2	117.8843	4.426	3	117.0205	7.690	6	117.1393	6.507	7	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	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	P[6,6](N[6]C[6]C)(N[6]P[6])2(O[6]C[6])	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>}	P[6,6](N[6]C[6]C)(N[6]P[6])2(O[6]C[6]){1|C<4>,1|N<2>,4|H<1>,4|N<3>}	117.8520	0.000	1	117.8520	0.000	1	117.8520	0.000	1	117.1393	6.507	7	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	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	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])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>}	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{1|C<4>,1|N<2>,4|C<3>,4|H<1>}	115.9070	0.000	1	116.8377	10.920	9	116.6601	11.025	23	116.5889	10.667	24	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	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	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])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>}	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{1|C<4>,1|N<2>,4|H<1>,4|N<3>}	115.4835	3.033	2	116.8377	10.920	9	116.6601	11.025	23	116.5889	10.667	24	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	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	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])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>}	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{1|C<4>,1|N<2>,4|H<1>,4|O<2>}	112.6720	0.000	1	116.8377	10.920	9	116.6601	11.025	23	116.5889	10.667	24	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	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	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])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>}	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{2|Cl<1>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	119.3485	5.925	2	116.8377	10.920	9	116.6601	11.025	23	116.5889	10.667	24	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	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	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])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>}	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{4|Cl<1>,1|C<4>,1|N<2>,4|H<1>}	117.7653	1.730	3	116.8377	10.920	9	116.6601	11.025	23	116.5889	10.667	24	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	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	P[6,6](N[6]C[6]C)2(N[6]P[6])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>}	P[6,6](N[6]C[6]C)2(N[6]P[6])2{2|Cl<1>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	111.4335	1.681	2	113.0385	4.880	4	116.6601	11.025	23	116.5889	10.667	24	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	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	P[6,6](N[6]C[6]C)2(N[6]P[6])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>}	P[6,6](N[6]C[6]C)2(N[6]P[6])2{4|Cl<1>,1|C<4>,1|N<2>,4|H<1>}	114.6435	1.230	2	113.0385	4.880	4	116.6601	11.025	23	116.5889	10.667	24	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	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	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	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>}	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{3|Cl<1>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	117.9527	1.952	7	117.9527	3.812	7	116.6601	11.025	23	116.5889	10.667	24	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	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	P[6,6](N[6]C[6]C)2(N[6]P[6])2	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>}	P[6,6](N[6]C[6]C)2(N[6]P[6])2{4|Cl<1>,1|C<4>,1|N<2>,4|H<1>}	120.7525	0.926	2	120.7525	0.857	2	116.6601	11.025	23	116.5889	10.667	24	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	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	P[6,6](N[6]C[6]P[6])(N[6]C[6]C)(N[6]P[6])2	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>}	P[6,6](N[6]C[6]P[6])(N[6]C[6]C)(N[6]P[6])2{4|Cl<1>,1|C<4>,1|N<3>,3|N<2>,4|H<1>}	112.3150	0.000	1	112.3150	0.000	1	116.6601	11.025	23	116.5889	10.667	24	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	3:3:2:2:	P[6,6]-4:P[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(P[6]N[6]2Cl)(C[6]C[6]HH)	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2	P[6,6](N[6]C[6]P[6])(N[6]C[6]C)(N[6]P[6])2	N[6](P[6,6]N[6]3)(P[6]N[6]2Cl)(C[6]C[6]HH){2|C<4>,2|H<1>,4|P<4>}	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|H<1>,4|N<2>}	P[6,6](N[6]C[6]P[6])(N[6]C[6]C)(N[6]P[6])2{4|Cl<1>,1|C<4>,1|N<3>,3|N<2>,4|H<1>}	114.9520	0.000	1	114.9520	0.000	1	114.9520	0.000	1	116.5889	10.667	24	117.2154	11.425	102	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6]	4:4:1:	4:3:1:1:	3:2:3:1:	C[6]-4:P[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O[6]-2:C-3:O-1:	N[6](C[6]C[6]HH)(P[6]O[6]CO)(H)	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2	P[6](N[6]C[6]H)(O[6]C[6])(CCH)(O)	N[6](C[6]C[6]HH)(P[6]O[6]CO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	P[6](N[6]C[6]H)(O[6]C[6])(CCH)(O){1|C<4>,4|H<1>}	122.1530	0.000	1	122.1530	0.000	1	122.1530	0.000	1	121.0755	2.322	2	118.9552	7.650	26	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6]	4:4:1:	4:3:1:1:	3:2:3:1:	C[6]-4:P[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O[6]-2:N-3:O-1:	N[6](C[6]C[6]HH)(P[6]O[6]NO)(H)	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2	P[6](N[6]C[6]H)(O[6]C[6])(NCC)(O)	N[6](C[6]C[6]HH)(P[6]O[6]NO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>}	P[6](N[6]C[6]H)(O[6]C[6])(NCC)(O){1|C<4>,4|H<1>}	119.9980	0.000	1	119.9980	0.000	1	119.9980	0.000	1	121.0755	2.322	2	118.9552	7.650	26	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6]	4:4:1:	4:3:1:1:	3:3:3:1:	C[6]-4:P[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:O-1:	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H)	C[6](C[6]C[6]CC)(N[6]P[6]H)(H)2	P[6](N[6]C[6]H)2(NCH)(O)	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(N[6]P[6]H)(H)2{1|O<1>,2|H<1>,2|N<3>}	P[6](N[6]C[6]H)2(NCH)(O){1|C<4>,4|H<1>}	121.1444	1.591	5	121.1444	2.530	5	120.3404	7.564	8	120.3404	7.564	8	118.9552	7.650	26	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6]	4:4:1:	4:3:1:1:	3:3:3:1:	C[6]-4:P[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:O-1:	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H)	C[6](C[6]C[6]CC)(N[6]P[6]H)(H)2	P[6](N[6]C[6]H)2(NC[6]C)(O)	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(N[6]P[6]H)(H)2{1|O<1>,2|H<1>,2|N<3>}	P[6](N[6]C[6]H)2(NC[6]C)(O){1|C<4>,4|H<1>}	115.3670	0.000	1	115.3670	0.000	1	120.3404	7.564	8	120.3404	7.564	8	118.9552	7.650	26	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6]	4:4:1:	4:3:1:1:	3:3:3:1:	C[6]-4:P[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:O-1:	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H)	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2	P[6](N[6]C[6]H)2(NC[6a]H)(O)	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2{1|O<1>,2|H<1>,2|N<3>}	P[6](N[6]C[6]H)2(NC[6a]H)(O){1|C<4>,4|H<1>}	120.8170	3.796	2	120.8170	14.408	2	120.3404	7.564	8	120.3404	7.564	8	118.9552	7.650	26	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6]	4:4:4:	3:3:1:1:	2:3:2:1:	C[6]-4:P[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	O[6]-2:N[6]-3:O-2:O-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	P[6](O[6]C[6,6a])(N[6]C[6]C)(OC[6a])(O)	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>}	P[6](O[6]C[6,6a])(N[6]C[6]C)(OC[6a])(O){2|C<3>,2|H<1>}	118.7070	0.000	1	118.7070	0.000	1	118.7070	0.000	1	118.7070	0.000	1	118.9552	7.650	26	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6]	4:4:4:	3:3:1:1:	2:3:2:2:	C[6]-4:P[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	O[6]-2:N[6]-3:N-2:N-2:	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	P[6](O[6]C[6,6a])(N[6]C[6]C)(NP[6])(NP)	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>}	P[6](O[6]C[6,6a])(N[6]C[6]C)(NP[6])(NP){2|C<3>,2|H<1>}	118.5220	0.000	1	118.5220	0.000	1	118.5220	0.000	1	118.5220	0.000	1	118.9552	7.650	26	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6]	4:4:4:	3:3:3:1:	2:3:4:1:	C[6]-4:P[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	O[6]-2:N[6]-3:C-4:O-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)	P[6](O[6]C[6,6a])(N[6]C[6]C)(CClHH)(O)	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>}	P[6](O[6]C[6,6a])(N[6]C[6]C)(CClHH)(O){1|H<1>,3|C<3>}	120.2440	0.000	1	118.6790	2.230	5	118.6790	2.230	5	118.6790	2.230	5	118.9552	7.650	26	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6]	4:4:4:	3:3:3:1:	2:3:4:1:	C[6]-4:P[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	O[6]-2:N[6]-3:C-4:O-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)	P[6](O[6]C[6,6a])(N[6]C[6]C)(CClHH)(O)	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>}	P[6](O[6]C[6,6a])(N[6]C[6]C)(CClHH)(O){1|H<1>,3|C<3>}	118.2878	1.397	4	118.6790	2.230	5	118.6790	2.230	5	118.6790	2.230	5	118.9552	7.650	26	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6]	4:4:4:	4:3:1:1:	3:2:2:2:	C[6]-4:P[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O[6]-2:N-2:N-2:	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	P[6](N[6]C[6]C)(O[6]C[6])(NP)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>}	P[6](N[6]C[6]C)(O[6]C[6])(NP)2{1|C<4>,4|H<1>}	116.2120	0.000	1	116.2120	0.000	1	116.2120	0.000	1	116.2120	0.000	1	118.9552	7.650	26	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6]	4:4:4:	4:3:1:1:	3:3:2:2:	C[6]-4:P[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-2:N-2:	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	P[6](N[6]C[6]C)2(NP)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>}	P[6](N[6]C[6]C)2(NP)2{1|C<4>,4|H<1>}	118.7008	4.027	5	118.7008	16.213	5	117.6406	11.534	8	117.6406	11.534	8	118.9552	7.650	26	117.2353	11.749	141
856	466	849	6:SP3_SP3_SP3	N[6]	C[6]	P[6]	4:4:4:	4:3:1:1:	3:3:2:2:	C[6]-4:P[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-2:N-2:	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	P[6](N[6]C[6]C)2(NP)2	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>}	P[6](N[6]C[6]C)2(NP)2{1|C<4>,4|H<1>}	115.8737	0.670	3	115.8737	0.449	3	117.6406	11.534	8	117.6406	11.534	8	118.9552	7.650	26	117.2353	11.749	141
856	466	856	0:SP3_SP2_SP3	N[6,6]	C[6]	N[6]	4:4:3:	3:4:1:1:	3:4:3:	C[6,6]-4:C[6]-4:N[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-3:	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]O)	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(N[6]C[6]C){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	113.3360	2.529	2	113.3360	6.394	2	112.6953	4.428	3	112.6953	4.428	3	112.6953	4.428	3	112.6953	4.428	3
856	466	856	0:SP3_SP2_SP3	N[6,6]	C[6]	N[6]	4:4:3:	3:4:1:1:	3:4:3:	C[6,6]-4:C[6]-4:N[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-3:	N[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CC[6a]O)	N[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CC[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	111.4140	0.000	1	111.4140	0.000	1	112.6953	4.428	3	112.6953	4.428	3	112.6953	4.428	3	112.6953	4.428	3
856	466	856	0:SP3_SP3_SP3	N[6,6]	C[6]	N[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6,6]-4:N[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:H-1:	N[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]N[6])(C[6]O[6]HH)(H)2	N[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)	N[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[6](N[6,6]C[6,6]N[6])(C[6]O[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	N[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	108.8590	0.155	4	108.8590	0.024	4	108.8590	0.024	4	108.8590	0.024	4	112.1090	12.359	11	113.2067	17.533	13
856	466	856	0:SP3_SP3_SP3	N[6,6]	C[6]	N[6]	4:3:4:	3:4:1:1:	4:3:4:	C[6,6]-4:N[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[6,6]-3:S-4:	N[6,6](C[6,6]C[6,6a]O[6]H)(N[6]C[5,6]S)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2	N[6](C[5,6]C[5,6]N[5]H)(N[6,6]C[6,6]C[6])(SC[6a]OO)	N[6,6](C[6,6]C[6,6a]O[6]H)(N[6]C[5,6]S)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	N[6](C[5,6]C[5,6]N[5]H)(N[6,6]C[6,6]C[6])(SC[6a]OO){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	112.8990	1.420	4	112.8990	2.016	4	112.8990	2.016	4	112.8990	2.016	4	112.1090	12.359	11	113.2067	17.533	13
856	466	856	0:SP3_SP3_SP3	N[6,6]	C[6]	N[6]	4:4:3:	3:4:2:1:	3:4:4:	C[6,6]-4:C[6]-4:N[6]-3:	N[6,6]-3:C[6]-4:C-2:H-1:	N[6,6]-3:C[6]-4:C-4:	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(N[6]C[6]C)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(CN)(H)	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(N[6]C[6]C){3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(CN)(H){1|O<2>,3|C<4>,3|H<1>}	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>}	115.3890	4.497	3	115.3890	20.226	3	115.3890	20.226	3	115.3890	20.226	3	112.1090	12.359	11	113.2067	17.533	13
856	466	856	0:SP3_SP3_SP3	N[6]	C[6,6]	N[6]	4:3:3:	3:3:3:1:	4:3:3:	C[6,6]-4:N[6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:N[6]-3:C[6]-3:	N[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6,6]C[6])(C[6]C[6,6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N[6])(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6,6]C[6])(C[6]C[6,6a]O)	N[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6,6]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|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]N[6])(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6,6]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	119.2440	0.805	2	119.2440	0.648	2	119.2440	0.648	2	119.2440	0.648	2	119.2440	0.648	2	113.2067	17.533	13
856	466	856	6:SP2_SP2_SP3	N[6,6]	C[6]	N[6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:N[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-3:N[6,6]-3:C[6]-3:	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]H)	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	115.6420	0.000	1	115.6420	0.000	1	115.6420	0.000	1	115.6420	0.000	1	114.9143	0.141	11	114.9974	3.419	24
856	466	856	6:SP2_SP2_SP3	N[6,6]	C[6]	N[6,6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:N[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-3:N[6,6]-3:C[6]-4:	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HO){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	114.7800	0.000	1	114.7800	0.000	1	114.7800	0.000	1	114.7800	0.000	1	114.9143	0.141	11	114.9974	3.419	24
856	466	856	6:SP2_SP2_SP3	N[6,6]	C[6]	N[6,6]	3:3:4:	3:4:2:1:	3:3:4:	C[6]-3:N[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:O-2:H-1:	C[6]-3:N[6,6]-3:C[6]-4:	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H)	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HO){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	114.9590	0.000	1	114.9590	0.000	1	114.9590	0.000	1	114.9590	0.000	1	114.9143	0.141	11	114.9974	3.419	24
856	466	856	6:SP2_SP2_SP3	N[6,6]	C[6]	N[6,6]	3:4:3:	3:4:1:1:	3:3:3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](N[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	114.6130	0.000	1	114.6130	0.000	1	114.6130	0.000	1	114.6130	0.000	1	114.9143	0.141	11	114.9974	3.419	24
856	466	856	6:SP2_SP2_SP3	N[6,6]	C[6]	N[6,6]	3:4:3:	3:4:1:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](N[6,6]C[6]2)(C[6]C[6]HN)(C[6]C[6]O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|N<2>,1|O<1>,3|C<4>,3|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HN)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	114.6370	0.120	2	114.6370	0.014	2	114.6230	0.008	3	114.6230	0.008	3	114.9143	0.141	11	114.9974	3.419	24
856	466	856	6:SP2_SP2_SP3	N[6,6]	C[6]	N[6,6]	3:4:3:	3:4:1:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	114.5950	0.000	1	114.5950	0.000	1	114.6230	0.008	3	114.6230	0.008	3	114.9143	0.141	11	114.9974	3.419	24
856	466	856	6:SP2_SP2_SP3	N[6,6]	C[6]	N[6,6]	3:4:3:	3:4:2:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:N-2:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6](N[6,6]C[6]2)(C[6]C[6]HN)(C[6]C[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(NN)(H)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HN)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(NN)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|N<2>,1|O<1>,3|C<4>,3|H<1>}	115.2605	0.005	2	115.2605	0.000	2	115.2605	0.000	2	115.0485	0.141	4	114.9143	0.141	11	114.9974	3.419	24
856	466	856	6:SP2_SP2_SP3	N[6,6]	C[6]	N[6,6]	3:4:3:	3:4:2:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	114.8365	0.494	2	114.8365	0.244	2	114.8365	0.244	2	115.0485	0.141	4	114.9143	0.141	11	114.9974	3.419	24
856	466	856	6:SP2_SP2_SP3	N[6]	C[6,6]	N[6]	4:3:1:	3:3:3:3:	3:3:3:	C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[5a]-3:C[6]-3:N[6]-3:	N[6](C[6,6]C[6,6a]3)(N[6]C[5a]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(N[6]N[6]H)	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)(N[6]C[6,6]H)	N[6](C[6,6]C[6,6a]3)(N[6]C[5a]C[6])(H){1|N<2>,1|O<1>,1|S<2>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])3(N[6]N[6]H){1|O<2>,3|H<1>,8|C<3>}	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)(N[6]C[6,6]H){6|C<3>}	111.9640	0.000	1	111.9640	0.000	1	111.9640	0.000	1	111.9640	0.000	1	111.9640	0.000	1	114.9974	3.419	24
856	466	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:4:3:	3:3:1:1:	3:4:3:	N[6]-3:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)	C[6](C[6]C[6]H)(N[6]N[6]C)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HN)(N[6]C[6]C)	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]N[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HN)(N[6]C[6]C){3|C<3>,4|H<1>}	115.5570	0.000	1	115.5570	0.000	1	115.5570	0.000	1	115.5570	0.000	1	115.3264	6.059	12	114.9974	3.419	24
856	466	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:4:3:	3:3:3:1:	3:4:3:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-3:N-3:H-1:	N[6]-3:C[6]-4:C-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HN)(N[6]C[6]C)	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(NCH)(H)	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HN)(N[6]C[6]C){3|C<3>,4|H<1>}	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(NCH)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	114.0420	0.000	1	114.0420	0.000	1	114.0420	0.000	1	114.0420	0.000	1	115.3264	6.059	12	114.9974	3.419	24
856	466	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(CF3)(H)	N[6](C[6]N[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]CH)(N[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(CF3)(H){1|H<1>,3|C<3>}	N[6](C[6]N[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<4>}	118.0695	0.042	2	118.0695	0.002	2	118.0695	0.002	2	118.0695	0.002	2	115.3264	6.059	12	114.9974	3.419	24
856	466	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:3:3:	3:3:1:1:	3:3:3:	C[6]-4:N[6]-3:C-3:	C[6]-3:N[6]-3:Br-1:H-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]BrH)(N[6]C[6]C)(COO)	C[6](C[6]C[6]O)(N[6]N[6]C)(Br)(H)	N[6](C[6]C[6]H)(N[6]C[6]C)(COO)	N[6](C[6]C[6]BrH)(N[6]C[6]C)(COO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)(N[6]N[6]C)(Br)(H){1|Br<1>,2|C<3>}	N[6](C[6]C[6]H)(N[6]C[6]C)(COO){2|Br<1>,1|C<3>,1|H<1>}	118.7390	0.000	1	118.7390	0.000	1	118.7390	0.000	1	114.4607	14.633	3	115.3264	6.059	12	114.9974	3.419	24
856	466	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:3:3:	3:3:1:1:	3:3:3:	C[6]-4:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]HH)(N[6]N[6]C)(COO)	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(H)2	N[6](N[6]C[6]C)(N[6]N[6]C)(COO)	N[6](C[6]C[6]HH)(N[6]N[6]C)(COO){1|N<2>,2|C<3>}	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(H)2{1|N<3>,3|C<3>}	N[6](N[6]C[6]C)(N[6]N[6]C)(COO){1|C<3>,2|H<1>}	113.2730	0.000	1	113.2730	0.000	1	113.2730	0.000	1	114.4607	14.633	3	115.3264	6.059	12	114.9974	3.419	24
856	466	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:3:3:	3:3:1:1:	3:3:3:	C[6]-4:N[6]-3:C-3:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]N[6]HH)(N[6]C[6]C)(COO)	C[6](N[6]C[6]O)(N[6]N[6]C)(H)2	N[6](C[6]C[6]C)(N[6]C[6]C)(COO)	N[6](C[6]N[6]HH)(N[6]C[6]C)(COO){1|O<1>,2|C<3>}	C[6](N[6]C[6]O)(N[6]N[6]C)(H)2{3|C<3>}	N[6](C[6]C[6]C)(N[6]C[6]C)(COO){1|C<3>,1|N<3>,2|H<1>}	111.3700	0.000	1	111.3700	0.000	1	111.3700	0.000	1	114.4607	14.633	3	115.3264	6.059	12	114.9974	3.419	24
856	466	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CCHH)(H)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C)	N[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(CCO){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CCHH)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	112.3850	0.000	1	112.3850	0.000	1	112.3850	0.000	1	112.3850	0.000	1	115.3264	6.059	12	114.9974	3.419	24
856	466	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:3:3:	3:4:3:3:	4:3:3:	C[6]-4:N[6]-3:C-3:	C[6a]-3:C[6]-4:N[6]-3:C-3:	C[6]-4:N[6]-3:C-3:	N[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(CHO)	N[6](C[6]C[6]CH)(N[6]C[6]C)(COO)	N[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(CHO){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6]CH)(N[6]C[6]C)(COO){1|C<4>,2|C<3>,2|H<1>}	116.8220	0.000	1	116.8220	0.000	1	116.8220	0.000	1	116.8220	0.000	1	115.3264	6.059	12	114.9974	3.419	24
856	466	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:N[6]-3:C-3:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO)	C[6](C[4,6]C[4,6]C[4]H)(N[6]N[6]C)(H)2	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO)	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO){2|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(N[6]N[6]C)(H)2{1|C<3>,1|H<1>,4|C<4>}	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO){2|C<4>,3|H<1>}	113.1610	0.000	1	114.2970	2.581	2	114.2970	2.581	2	114.2970	2.581	2	115.3264	6.059	12	114.9974	3.419	24
856	466	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:N[6]-3:C-3:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO)	C[6](C[4,6]C[4,6]C[4]H)(N[6]N[6]C)(H)2	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO)	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO){2|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(N[6]N[6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO){2|C<4>,3|H<1>}	115.4330	0.000	1	114.2970	2.581	2	114.2970	2.581	2	114.2970	2.581	2	115.3264	6.059	12	114.9974	3.419	24
856	466	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:3:3:	4:3:3:1:	4:3:3:	C[6]-4:N[6]-3:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:C-3:	N[6](C[6]C[6]CH)(N[6]C[6]C)(COO)	C[6](C[6]C[6]HH)(N[6]N[6]C)(CC[6a]C)(H)	N[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO)	N[6](C[6]C[6]CH)(N[6]C[6]C)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]C)(CC[6a]C)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO){1|C<4>,3|C<3>,3|H<1>}	116.9960	0.000	1	116.9960	0.000	1	116.9960	0.000	1	116.9960	0.000	1	115.3264	6.059	12	114.9974	3.419	24
856	466	856	6:SP2_SP3_SP3	N[6,6]	C[3x6]	N[6,6]	3:4:4:	4:4:3:1:	4:3:3:	N[6,6]-3:C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6a]-3:N[6,6]-3:	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)	N[6,6](C[3x6]C[6,6]2H)(C[6a]C[6a,6a]2)(N[6,6]C[3x6]C)	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>}	N[6,6](C[3x6]C[6,6]2H)(C[6a]C[6a,6a]2)(N[6,6]C[3x6]C){2|C<4>,4|C<3>,5|H<1>}	112.4510	0.000	1	112.4510	0.000	1	112.4510	0.000	1	112.7467	0.075	3	112.5408	0.748	5	114.8414	6.040	18
856	466	856	6:SP2_SP3_SP3	N[6,6]	C[3x6]	N[6,6]	3:4:4:	4:4:3:1:	4:3:3:	N[6,6]-3:C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:C[6a]-3:	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)	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)	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>}	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,7|H<1>}	112.8945	0.135	2	112.8945	0.018	2	112.8945	0.018	2	112.7467	0.075	3	112.5408	0.748	5	114.8414	6.040	18
856	466	856	6:SP2_SP3_SP3	N[6,6]	C[3x6]	N[6,6]	4:3:3:	3:4:4:1:	3:4:4:	C[3x6]-4:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:C[3x6]-4:C-4:	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)	C[3x6](N[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3)	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,7|H<1>}	C[3x6](N[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	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>}	111.1080	0.000	1	112.2320	2.527	2	112.2320	2.527	2	112.2320	2.527	2	112.5408	0.748	5	114.8414	6.040	18
856	466	856	6:SP2_SP3_SP3	N[6,6]	C[3x6]	N[6,6]	4:3:3:	3:4:4:1:	3:4:4:	C[3x6]-4:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:C[3x6]-4:C-4:	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)	C[3x6](N[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3)	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<3>,3|C<4>,6|H<1>}	C[3x6](N[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	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>}	113.3560	0.000	1	112.2320	2.527	2	112.2320	2.527	2	112.2320	2.527	2	112.5408	0.748	5	114.8414	6.040	18
856	466	856	6:SP2_SP3_SP3	N[6,6]	C[6,6]	N[6,6]	4:3:3:	3:4:3:1:	3:4:4:	C[6,6]-4:N[6,6]-3:C-3:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C[6]-4:	N[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(CNO)	C[6,6](N[6,6]N[6,6]C)(C[6]O[6]HH)(C[6]C[6]H)(H)	N[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]HH)	N[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(CNO){1|C<3>,1|O<2>,7|H<1>}	C[6,6](N[6,6]N[6,6]C)(C[6]O[6]HH)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	N[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|C<4>,2|H<1>}	113.4930	0.000	1	113.4930	0.000	1	113.4930	0.000	1	113.4930	0.000	1	113.4930	0.000	1	114.8414	6.040	18
856	466	856	6:SP2_SP3_SP3	N[6,6]	C[6]	N[6,6]	3:3:4:	3:4:1:1:	4:3:4:	N[6,6]-3:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	P[6]-4:N[6,6]-3:C[6]-4:	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](P[6]N[6,6]OS)(N[6,6]C[6]2)(C[6]C[6]HH)	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<2>,1|S<1>,2|C<4>,4|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|P<4>,2|H<1>}	N[6,6](P[6]N[6,6]OS)(N[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	113.8580	0.000	1	113.8580	0.000	1	113.8580	0.000	1	113.8580	0.000	1	113.8185	0.003	2	114.8414	6.040	18
856	466	856	6:SP2_SP3_SP3	N[6,6]	C[6]	N[6,6]	3:4:3:	3:4:1:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<2>,1|O<1>,3|C<4>,3|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	113.7790	0.000	1	113.7790	0.000	1	113.7790	0.000	1	113.7790	0.000	1	113.8185	0.003	2	114.8414	6.040	18
856	466	856	6:SP2_SP3_SP3	N[6]	C[6]	N[6,6]	3:4:3:	3:3:1:1:	4:4:3:	N[6,6]-3:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:	N[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CC[6a]O)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6,6]C)(H)2	N[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)	N[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CC[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	119.1070	0.000	1	119.1070	0.000	1	119.1070	0.000	1	119.1070	0.000	1	118.5637	0.225	3	114.8414	6.040	18
856	466	856	6:SP2_SP3_SP3	N[6]	C[6]	N[6,6]	3:4:3:	3:4:3:1:	4:4:3:	N[6,6]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]O)	C[6](N[6]N[6,6]C)(C[6]N[6]HH)(CCC)(H)	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](N[6]N[6,6]C)(C[6]N[6]HH)(CCC)(H){1|S<4>,2|C<4>}	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(N[6]C[6]C){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	118.2920	0.085	2	118.2920	0.007	2	118.2920	0.007	2	118.2920	0.007	2	118.5637	0.225	3	114.8414	6.040	18
856	466	856	6:SP2_SP3_SP3	N[6]	C[6]	N[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	115.7990	0.757	2	115.7990	0.572	2	115.7990	0.572	2	115.7990	0.572	2	115.3743	4.218	7	114.8414	6.040	18
856	466	856	6:SP2_SP3_SP3	N[6]	C[6]	N[6]	3:4:3:	3:4:1:1:	4:3:3:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]C)	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	114.3020	0.000	1	114.3020	0.000	1	114.3020	0.000	1	114.3020	0.000	1	115.3743	4.218	7	114.8414	6.040	18
856	466	856	6:SP2_SP3_SP3	N[6]	C[6]	N[6]	3:4:3:	3:4:4:1:	3:4:1:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]H)	C[6](N[6]C[6a]N[6])(C[6]C[6]HO)(CH3)(H)	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]N[6])(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	115.9760	0.000	1	115.9760	0.000	1	115.9760	0.000	1	115.9760	0.000	1	115.3743	4.218	7	114.8414	6.040	18
856	466	856	6:SP2_SP3_SP3	N[6]	C[6]	N[6]	4:3:3:	3:3:4:1:	4:3:1:	C[6]-4:N[6]-3:C-3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6]CH)(N[6]C[6]H)(CNO)	C[6](C[6]C[6]C)(N[6]N[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(N[6]C[6]H)(CNO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(N[6]N[6]C)(CH3)(H){1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	118.0400	0.000	1	118.0400	0.000	1	118.0400	0.000	1	118.0400	0.000	1	115.3743	4.218	7	114.8414	6.040	18
856	466	856	6:SP2_SP3_SP3	N[6]	C[6]	N[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:N[6]-3:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:	N[6](C[6]C[5,6]HH)(N[6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]C)(H)2	N[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[5,6]HH)(N[6]C[6]H)(CCO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	116.2100	0.000	1	116.2100	0.000	1	116.2100	0.000	1	113.8520	11.120	2	115.3743	4.218	7	114.8414	6.040	18
856	466	856	6:SP2_SP3_SP3	N[6]	C[6]	N[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:N[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]HH)(N[6]N[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]C)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	111.4940	0.000	1	111.4940	0.000	1	111.4940	0.000	1	113.8520	11.120	2	115.3743	4.218	7	114.8414	6.040	18
856	466	856	6:SP3_SP2_SP3	N[6,6]	C[3x6]	N[6,6]	3:4:4:	4:4:3:1:	4:3:3:	N[6,6]-3:C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:C[6a]-3:	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)	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)	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>}	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,7|H<1>}	109.8380	0.000	1	111.2860	4.193	2	111.2860	4.193	2	111.2860	4.193	2	112.4396	2.168	5	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6,6]	C[3x6]	N[6,6]	3:4:4:	4:4:3:1:	4:3:3:	N[6,6]-3:C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:C[6a]-3:	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)	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)	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>}	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<3>,3|C<4>,6|H<1>}	112.7340	0.000	1	111.2860	4.193	2	111.2860	4.193	2	111.2860	4.193	2	112.4396	2.168	5	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6,6]	C[3x6]	N[6,6]	4:3:3:	3:4:4:1:	3:4:4:	C[3x6]-4:C[6a]-3:N[6,6]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:C[3x6]-4:C-4:	N[6,6](C[3x6]C[6,6]2H)(C[6a]C[6a,6a]2)(N[6,6]C[3x6]C)	C[3x6](N[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3)	N[6,6](C[3x6]C[6,6]2H)(C[6a]C[6a,6a]2)(N[6,6]C[3x6]C){2|C<4>,4|C<3>,5|H<1>}	C[3x6](N[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	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>}	113.3400	0.000	1	113.3400	0.000	1	113.3400	0.000	1	113.2087	0.021	3	112.4396	2.168	5	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6,6]	C[3x6]	N[6,6]	4:3:3:	3:4:4:1:	3:4:4:	C[3x6]-4:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:C[3x6]-4:C-4:	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)	C[3x6](N[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3)	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,7|H<1>}	C[3x6](N[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	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>}	113.1430	0.126	2	113.1430	0.016	2	113.1430	0.016	2	113.2087	0.021	3	112.4396	2.168	5	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6,6]	C[6,6]	N[6]	4:4:3:	3:3:3:1:	3:4:3:	C[6,6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6,6]-3:C[6]-4:C-3:	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6]S)(H)	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]O)	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(N[6]C[6]C){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6]S)(H){2|C<4>,3|C<3>,5|H<1>}	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	110.8270	0.030	2	110.8270	0.001	2	110.8270	0.001	2	110.8270	0.001	2	110.2970	0.843	3	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6,6]	C[6,6]	N[6]	4:4:3:	3:3:4:1:	3:4:3:	C[6,6]-4:C[6]-4:N[6]-3:	N[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C-3:	N[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]C[6]N[6])(C[6]C[6]HH)(H)	N[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CC[6a]O)	N[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]C[6]N[6])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	N[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CC[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	109.2370	0.000	1	109.2370	0.000	1	109.2370	0.000	1	109.2370	0.000	1	110.2970	0.843	3	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6,6]	C[6]	N[6,6]	3:4:3:	3:4:2:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C-2:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(CN)(H)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(CN)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<2>,1|O<1>,3|C<4>,3|H<1>}	113.0190	0.000	1	113.0190	0.000	1	113.0190	0.000	1	113.0190	0.000	1	110.2665	7.613	4	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6,6]	C[6]	N[6,6]	3:4:4:	3:2:1:1:	4:3:3:	N[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:N[6,6]-3:C-3:	N[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]HH)	C[6](N[6,6]N[6,6]C[6])(O[6]C[6])(H)2	N[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(CNO)	N[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]N[6,6]C[6])(O[6]C[6])(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(CNO){1|C<3>,1|O<2>,7|H<1>}	107.4720	0.000	1	107.4720	0.000	1	107.4720	0.000	1	107.4720	0.000	1	110.2665	7.613	4	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6,6]	C[6]	N[6,6]	3:4:4:	3:3:1:1:	4:3:3:	N[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:N[6,6]-3:C-3:	N[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]HH)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H)2	N[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(CNO)	N[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(CNO){1|C<3>,1|O<2>,7|H<1>}	108.3570	0.000	1	108.3570	0.000	1	108.3570	0.000	1	108.3570	0.000	1	110.2665	7.613	4	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6,6]	C[6]	N[6,6]	4:3:4:	3:4:1:1:	3:3:4:	P[6]-4:N[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:C[6]-4:	N[6,6](P[6]N[6,6]OS)(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](N[6,6]N[6,6]P[6])(C[6]C[6]HH)(H)2	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH)	N[6,6](P[6]N[6,6]OS)(N[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](N[6,6]N[6,6]P[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<1>,2|H<1>}	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<2>,1|S<1>,2|C<4>,4|H<1>}	112.2180	0.000	1	112.2180	0.000	1	112.2180	0.000	1	112.2180	0.000	1	110.2665	7.613	4	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6]	C[6,6]	N[6]	4:3:1:	3:3:3:3:	3:3:3:	C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[5a]-3:C[6]-3:N[6]-3:	N[6](C[6,6]C[6,6a]3)(N[6]C[5a]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(N[6]N[6]H)	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)(N[6]C[6,6]H)	N[6](C[6,6]C[6,6a]3)(N[6]C[5a]C[6])(H){1|N<2>,1|O<1>,1|S<2>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])3(N[6]N[6]H){1|O<2>,3|H<1>,8|C<3>}	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)(N[6]C[6,6]H){6|C<3>}	112.4950	0.000	1	112.4950	0.000	1	112.4950	0.000	1	112.4950	0.000	1	112.4950	0.000	1	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	3:4:1:	4:3:3:1:	3:4:3:	N[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6]HH)(N[6]N[6]H)(COO)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]H)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	110.5245	0.868	2	110.5245	0.753	2	110.5245	0.753	2	110.5245	0.753	2	109.2811	1.433	33	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	3:4:1:	4:3:4:1:	3:4:3:	N[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6]HH)(N[6]N[6]H)(CH3)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]H)	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	110.5590	0.000	1	110.5590	0.000	1	110.5590	0.000	1	110.5590	0.000	1	109.2811	1.433	33	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:3:1:	3:3:3:1:	3:3:4:	C[6]-4:N[6]-3:H-1:	C[5]-3:N[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[5]N[6]H)(N[6]C[6]C)(H)	C[6](C[5]N[5]2)(N[6]N[6]H)2(H)	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3)	N[6](C[6]C[5]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|O<1>,3|N<3>}	C[6](C[5]N[5]2)(N[6]N[6]H)2(H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.8590	1.242	2	109.8590	1.542	2	109.8590	1.542	2	109.5347	0.486	16	109.2811	1.433	33	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:3:1:	3:3:3:1:	3:3:4:	C[6]-4:N[6]-3:H-1:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)	C[6](C[5a]N[5a]2)(N[6]N[6]H)2(H)	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3)	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[6](C[5a]N[5a]2)(N[6]N[6]H)2(H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.8735	1.201	2	109.8735	1.443	2	109.7108	0.561	4	109.5347	0.486	16	109.2811	1.433	33	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:3:1:	3:3:3:1:	3:3:4:	C[6]-4:N[6]-3:H-1:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)	C[6](C[5a]N[5a]2)(N[6]N[6]H)2(H)	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3)	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<2>,1|S<1>,2|N<3>}	C[6](C[5a]N[5a]2)(N[6]N[6]H)2(H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.5480	0.365	2	109.5480	0.133	2	109.7108	0.561	4	109.5347	0.486	16	109.2811	1.433	33	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:3:1:	3:3:3:1:	3:3:4:	C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]N[6]H)2(H)	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]N[6]H)2(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.5575	0.224	2	109.5575	0.050	2	109.3994	0.394	10	109.5347	0.486	16	109.2811	1.433	33	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:3:1:	3:3:3:1:	3:3:4:	C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]N[6]H)2(H)	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]H)2(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.2205	0.053	2	109.2205	0.003	2	109.3994	0.394	10	109.5347	0.486	16	109.2811	1.433	33	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:3:1:	3:3:3:1:	3:3:4:	C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]N[6]H)2(H)	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]H)2(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.1345	1.320	2	109.1345	1.743	2	109.3994	0.394	10	109.5347	0.486	16	109.2811	1.433	33	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:3:1:	3:3:3:1:	3:3:4:	C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)2(H)	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<1>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)2(H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.4650	1.178	2	109.4650	1.388	2	109.3994	0.394	10	109.5347	0.486	16	109.2811	1.433	33	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:3:1:	3:3:3:1:	3:3:4:	C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	C[6](C[6a]N[6a]2)(N[6]N[6]H)2(H)	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|S<1>,2|N<2>}	C[6](C[6a]N[6a]2)(N[6]N[6]H)2(H){2|C<4>,3|C<3>}	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.6195	0.016	2	109.6195	0.000	2	109.3994	0.394	10	109.5347	0.486	16	109.2811	1.433	33	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:3:1:	3:3:4:1:	4:3:3:	C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-3:	N[6](C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]N[6]H)(CCHH)(H)	N[6](C[6]C[6]CH)(N[6]C[6]H)(CNO)	N[6](C[6]C[6]CH)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]N[6]H)(CCHH)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]CH)(N[6]C[6]H)(CNO){1|C<3>,1|H<1>,2|C<4>}	110.2820	0.000	1	110.2820	0.000	1	110.2820	0.000	1	110.2820	0.000	1	109.2811	1.433	33	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:3:1:	3:4:3:1:	4:3:3:	C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]H)(H)	N[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]O)	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]O){1|C<3>,1|C<4>,3|H<1>}	109.2070	0.000	1	109.2070	0.000	1	109.2070	0.000	1	109.2070	0.000	1	109.2811	1.433	33	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:3:1:	4:3:4:1:	4:3:3:	C[6]-4:N[6]-3:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-3:	N[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]H)(CH3)(H)	N[6](C[6]C[5,6]HH)(N[6]C[6]H)(CCO)	N[6](C[6]C[5,6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]H)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[5,6]HH)(N[6]C[6]H)(CCO){1|O<2>,2|C<4>,2|H<1>}	110.9180	0.000	1	110.9180	0.000	1	110.9180	0.000	1	110.9180	0.000	1	109.2811	1.433	33	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:3:3:	3:4:3:1:	3:4:3:	C[6]-4:N[6]-3:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]C)	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	111.8500	0.000	1	111.8500	0.000	1	111.8500	0.000	1	111.8500	0.000	1	109.2811	1.433	33	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:3:4:	3:4:3:1:	3:3:3:	C[6]-4:N[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	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)	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO)	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>}	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO){1|C<3>,1|C<4>,1|H<1>}	107.4220	0.000	1	107.4220	0.000	1	107.4220	0.000	1	107.4220	0.000	1	109.2811	1.433	33	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6]-4:N[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3: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)	N[6](C[6]O[6]O)(N[6]C[6]C)(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>}	N[6](C[6]O[6]O)(N[6]C[6]C)(H){1|H<1>,2|C<4>}	107.8890	0.618	2	107.8890	0.382	2	108.3483	0.430	6	108.3483	0.430	6	109.2811	1.433	33	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6]-4:N[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3: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)	N[6](C[6]O[6]O)(N[6]C[6]C)(H)	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>}	N[6](C[6]O[6]O)(N[6]C[6]C)(H){1|H<1>,2|C<4>}	108.8815	0.244	2	108.8815	0.060	2	108.3483	0.430	6	108.3483	0.430	6	109.2811	1.433	33	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6]-4:N[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3: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)	N[6](C[6]O[6]S)(N[6]C[6]C)(H)	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>}	N[6](C[6]O[6]S)(N[6]C[6]C)(H){1|H<1>,2|C<4>}	108.2745	0.842	2	108.2745	0.709	2	108.3483	0.430	6	108.3483	0.430	6	109.2811	1.433	33	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:3:4:	4:3:4:1:	3:3:3:	C[6]-4:N[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C-3:	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)	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO)	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>}	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO){1|H<1>,2|C<4>}	106.8390	0.000	1	106.8390	0.000	1	107.4483	0.433	3	107.4483	0.433	3	109.2811	1.433	33	109.8462	2.923	46
856	466	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:3:4:	4:3:4:1:	3:3:3:	C[6]-4:N[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C-3:	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)	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO)	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>}	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO){1|H<1>,2|C<4>}	107.7530	0.556	2	107.7530	0.309	2	107.4483	0.433	3	107.4483	0.433	3	109.2811	1.433	33	109.8462	2.923	46
856	466	856	6:SP3_SP3_SP3	N[3x6]	C[6,6]	N[3x6]	4:4:3:	3:4:3:1:	4:4:3:	C[6,6]-4:C[6,6]-4:N[3x6]-3:	N[3x6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:N[3x6]-3:	N[3x6](C[6,6]C[6]N[6]H)2(N[3x6]C[6,6]2)	C[6,6](N[3x6]C[6,6]N[3x6])(C[6]C[6]HH)(N[6]N[6]H)(H)	N[3x6](C[6,6]C[6]N[6]H)2(N[3x6]C[6,6]2)	N[3x6](C[6,6]C[6]N[6]H)2(N[3x6]C[6,6]2){2|N<3>,3|C<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]N[3x6])(C[6]C[6]HH)(N[6]N[6]H)(H){1|N<3>,3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6]N[6]H)2(N[3x6]C[6,6]2){2|N<3>,3|C<4>,8|H<1>}	109.6603	2.788	4	109.6603	7.774	4	109.6603	7.774	4	109.6603	7.774	4	109.6603	7.774	4	111.2421	5.813	51
856	466	856	6:SP3_SP3_SP3	N[6,6]	C[3x6]	N[6,6]	3:4:4:	4:4:3:1:	4:3:3:	N[6,6]-3:C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:C[6a]-3:	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)	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)	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>}	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,7|H<1>}	111.4715	1.671	2	111.4715	2.792	2	111.4715	2.792	2	111.4715	2.792	2	111.8593	1.719	4	111.2421	5.813	51
856	466	856	6:SP3_SP3_SP3	N[6,6]	C[3x6]	N[6,6]	4:3:3:	3:4:4:1:	3:4:4:	C[3x6]-4:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:C[3x6]-4:C-4:	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)	C[3x6](N[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3)	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,7|H<1>}	C[3x6](N[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	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>}	112.2470	1.328	2	112.2470	1.763	2	112.2470	1.763	2	112.2470	1.763	2	111.8593	1.719	4	111.2421	5.813	51
856	466	856	6:SP3_SP3_SP3	N[6,6]	C[6,6]	N[6]	4:3:4:	3:3:2:1:	4:3:4:	C[6,6]-4:N[6]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[5,6]-4:N[6,6]-3:S-4:	N[6,6](C[6,6]C[6,6a]O[6]H)(N[6]C[5,6]S)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H)	N[6](C[5,6]C[5,6]N[5]H)(N[6,6]C[6,6]C[6])(SC[6a]OO)	N[6,6](C[6,6]C[6,6a]O[6]H)(N[6]C[5,6]S)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]N[5]H)(N[6,6]C[6,6]C[6])(SC[6a]OO){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	110.4652	1.630	4	110.4652	2.657	4	110.4652	2.657	4	110.4652	2.657	4	109.9252	3.494	11	111.2421	5.813	51
856	466	856	6:SP3_SP3_SP3	N[6,6]	C[6,6]	N[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6,6]-4:N[6]-3:C[6]-4:	N[6,6]-3:N[6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:	N[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6]N[6])(N[6]N[6,6]H)(C[6]O[6]HH)(H)	N[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)	N[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[6,6](N[6,6]C[6]N[6])(N[6]N[6,6]H)(C[6]O[6]HH)(H){3|C<4>,3|H<1>}	N[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	110.0125	0.260	4	110.0125	0.068	4	110.0125	0.068	4	110.0125	0.068	4	109.9252	3.494	11	111.2421	5.813	51
856	466	856	6:SP3_SP3_SP3	N[6,6]	C[6,6]	N[6]	4:4:3:	3:4:2:1:	3:4:4:	C[6,6]-4:C[6]-4:N[6]-3:	N[6,6]-3:C[6]-4:O[6]-2:H-1:	N[6,6]-3:C[6]-4:C-4:	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(N[6]C[6]C)	C[6,6](N[6,6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H)	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(N[6]C[6]C){3|C<4>,5|H<1>}	C[6,6](N[6,6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	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>}	109.0887	3.426	3	109.0887	11.736	3	109.0887	11.736	3	109.0887	11.736	3	109.9252	3.494	11	111.2421	5.813	51
856	466	856	6:SP3_SP3_SP3	N[6,6]	C[6]	N[6,6]	3:3:4:	3:4:1:1:	4:3:4:	N[6,6]-3:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	P[6]-4:N[6,6]-3:C[6]-4:	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](P[6]N[6,6]OS)(N[6,6]C[6]2)(C[6]C[6]HH)	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<2>,1|S<1>,2|C<4>,4|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|P<4>,2|H<1>}	N[6,6](P[6]N[6,6]OS)(N[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	110.9920	0.000	1	110.9920	0.000	1	110.9920	0.000	1	110.9920	0.000	1	112.1605	2.731	2	111.2421	5.813	51
856	466	856	6:SP3_SP3_SP3	N[6,6]	C[6]	N[6,6]	4:3:4:	3:4:1:1:	3:3:4:	P[6]-4:N[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:C[6]-4:	N[6,6](P[6]N[6,6]OS)(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](N[6,6]N[6,6]P[6])(C[6]C[6]HH)(H)2	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH)	N[6,6](P[6]N[6,6]OS)(N[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](N[6,6]N[6,6]P[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<1>,2|H<1>}	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<2>,1|S<1>,2|C<4>,4|H<1>}	113.3290	0.000	1	113.3290	0.000	1	113.3290	0.000	1	113.3290	0.000	1	112.1605	2.731	2	111.2421	5.813	51
856	466	856	6:SP3_SP3_SP3	N[6]	C[6,6]	N[6,6]	4:3:1:	3:3:4:1:	4:3:4:	C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:N[6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6]-4:	N[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)	C[6,6](N[6,6]C[6]N[6])(N[6]N[6,6]H)(C[6]O[6]HH)(H)	N[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6]H)(C[6]C[6]HH)	N[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](N[6,6]C[6]N[6])(N[6]N[6,6]H)(C[6]O[6]HH)(H){3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	108.1970	0.002	4	108.1970	0.000	4	108.1970	0.000	4	108.1970	0.000	4	108.1970	0.000	4	111.2421	5.813	51
856	466	856	6:SP3_SP3_SP3	N[6]	C[6,6]	N[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6,6]-4:N[6]-3:H-1:	N[3x6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:N[6]-3:H-1:	N[6](C[6,6]N[3x6]C[6]H)(N[6]C[6,6]H)(H)	C[6,6](N[3x6]C[6,6]N[3x6])(C[6]C[6]HH)(N[6]N[6]H)(H)	N[6](C[6,6]N[3x6]C[6]H)(N[6]C[6,6]H)(H)	N[6](C[6,6]N[3x6]C[6]H)(N[6]C[6,6]H)(H){1|N<3>,3|C<4>,3|H<1>}	C[6,6](N[3x6]C[6,6]N[3x6])(C[6]C[6]HH)(N[6]N[6]H)(H){1|N<3>,3|C<4>,4|H<1>}	N[6](C[6,6]N[3x6]C[6]H)(N[6]C[6,6]H)(H){1|N<3>,3|C<4>,3|H<1>}	112.2758	0.831	4	112.2758	0.691	4	112.2758	0.691	4	112.2758	0.691	4	112.2758	0.691	4	111.2421	5.813	51
856	466	856	6:SP3_SP3_SP3	N[6]	C[6]	N[6,6]	3:4:4:	4:3:4:1:	4:4:3:	N[6,6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:	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)	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(N[6]C[6]C)	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>}	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(N[6]C[6]C){3|C<4>,5|H<1>}	114.3893	0.290	3	114.3893	0.084	3	114.3893	0.084	3	114.3893	0.084	3	114.3893	0.084	3	111.2421	5.813	51
856	466	856	6:SP3_SP3_SP3	N[6]	C[6]	N[6]	3:3:4:	3:3:2:1:	3:3:3:	N[6]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:O-2:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HO)	C[6](N[6]C[6a]N[6])2(OC)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(N[6]C[6a]C[6])	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HO){1|H<1>,1|O<2>,2|N<2>,5|C<3>}	C[6](N[6]C[6a]N[6])2(OC)(H){1|N<2>,5|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(N[6]C[6a]C[6]){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	110.2540	0.000	1	110.2540	0.000	1	110.2540	0.000	1	110.2540	0.000	1	112.0376	5.936	19	111.2421	5.813	51
856	466	856	6:SP3_SP3_SP3	N[6]	C[6]	N[6]	3:4:1:	4:3:3:1:	3:4:3:	N[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6]HH)(N[6]N[6]H)(COO)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]H)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	111.2820	1.144	2	111.2820	1.309	2	111.2820	1.309	2	111.2820	1.309	2	112.0376	5.936	19	111.2421	5.813	51
856	466	856	6:SP3_SP3_SP3	N[6]	C[6]	N[6]	3:4:3:	3:3:1:1:	3:4:3:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:C-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)2	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CCO)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C){3|C<3>,5|H<1>}	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)2{2|C<4>,3|C<3>}	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CCO){1|C<4>,2|H<1>,3|C<3>}	113.7760	0.963	2	113.7760	0.928	2	113.7760	0.928	2	111.3178	9.597	4	112.0376	5.936	19	111.2421	5.813	51
856	466	856	6:SP3_SP3_SP3	N[6]	C[6]	N[6]	3:4:3:	3:3:1:1:	3:4:3:	N[6]-3:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]C)(N[6]N[6]C)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CCO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]N[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C){3|C<3>,5|H<1>}	108.8595	1.921	2	108.8595	3.691	2	108.8595	3.691	2	111.3178	9.597	4	112.0376	5.936	19	111.2421	5.813	51
856	466	856	6:SP3_SP3_SP3	N[6]	C[6]	N[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	115.1845	0.919	2	115.1845	0.844	2	115.1845	0.844	2	115.1845	0.844	2	112.0376	5.936	19	111.2421	5.813	51
856	466	856	6:SP3_SP3_SP3	N[6]	C[6]	N[6]	3:4:3:	3:4:1:1:	4:3:3:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C){1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO){1|C<4>,4|C<3>,4|H<1>}	114.6625	0.296	2	114.6625	0.088	2	114.6625	0.088	2	114.6625	0.088	2	112.0376	5.936	19	111.2421	5.813	51
856	466	856	6:SP3_SP3_SP3	N[6]	C[6]	N[6]	4:3:1:	3:3:1:1:	4:3:4:	C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:	N[6](C[6]N[6]HH)(N[6]C[6]C)(H)	C[6](N[6]N[6]C)(N[6]N[6]H)(H)2	N[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)	N[6](C[6]N[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]N[6]C)(N[6]N[6]H)(H)2{1|H<1>,2|C<4>}	N[6](C[6]N[6]HH)(N[6]C[6]H)(CH3){1|N<3>,3|H<1>}	109.3000	0.327	2	109.3000	0.107	2	109.3000	0.107	2	109.3000	0.107	2	112.0376	5.936	19	111.2421	5.813	51
856	466	856	6:SP3_SP3_SP3	N[6]	C[6]	N[6]	4:3:1:	3:3:4:4:	4:3:1:	C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:H-1:	N[6](C[6]N[6]CC)(N[6]C[6]H)(H)	C[6](N[6]N[6]H)2(CHHO)2	N[6](C[6]N[6]CC)(N[6]C[6]H)(H)	N[6](C[6]N[6]CC)(N[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](N[6]N[6]H)2(CHHO)2{1|C<4>,2|H<1>}	N[6](C[6]N[6]CC)(N[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<4>}	113.6555	0.091	2	113.6555	0.008	2	113.6555	0.008	2	113.6555	0.008	2	112.0376	5.936	19	111.2421	5.813	51
856	466	856	6:SP3_SP3_SP3	N[6]	C[6]	N[6]	4:3:3:	3:4:3:1:	3:4:3:	C[6]-4:N[6]-3:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C){1|C<4>,3|C<3>,5|H<1>}	113.0300	0.591	2	113.0300	0.349	2	113.0300	0.349	2	113.0300	0.349	2	112.0376	5.936	19	111.2421	5.813	51
856	466	856	6:SP3_SP3_SP3	N[6]	C[6]	N[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3: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	N[6](C[6]N[6]HH)(N[6]C[6]C)(H)	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>}	N[6](C[6]N[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>}	109.4800	0.310	2	109.4800	0.096	2	109.4800	0.096	2	109.4800	0.096	2	112.0376	5.936	19	111.2421	5.813	51
856	466	863	0:SP2_SP2_SP3	N[6,6]	C[3x6]	O	3:4:1:	3:3:3:1:	3:	C[5,6,6]-3:C[3x6]-4:O-1:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	N[6,6]-3:	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H)	O(N[6,6]C[5,6,6]C[3x6])	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(O){1|H<1>,1|S<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H){1|C<4>,2|H<1>,5|C<3>}	O(N[6,6]C[5,6,6]C[3x6])	120.1675	0.620	2	120.1675	0.385	2	120.1675	0.385	2	120.1675	0.385	2	119.9727	1.278	4	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6,6]	C[3x6]	O	4:4:1:	4:4:3:1:	3:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:	N[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O)	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H)	O(N[6,6]C[3x6]2)	N[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H){2|H<1>,4|C<4>}	O(N[6,6]C[3x6]2)	118.4940	0.000	1	118.4940	0.000	1	118.4940	0.000	1	118.4940	0.000	1	119.9727	1.278	4	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6,6]	C[3x6]	O	4:4:1:	4:4:3:4:	3:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:C-4:	N[6,6]-3:	N[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O)	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(CH3)	O(N[6,6]C[3x6]2)	N[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(CH3){3|C<4>,3|H<1>}	O(N[6,6]C[3x6]2)	121.0620	0.000	1	121.0620	0.000	1	121.0620	0.000	1	121.0620	0.000	1	119.9727	1.278	4	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[3x6]	O	4:4:1:	4:4:3:4:	3:	C[3x6]-4:C[6]-4:O-1:	C[4x6]-4:C[3x6]-4:N[6]-3:C-4:	N[6]-3:	N[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6a]CC)(O)	C[3x6](C[4x6]C[6,6a]C[6,6]2)(C[3x6]C[6,6]2H)(N[6]C[6]O)(CH3)	O(N[6]C[3x6]C[6])	N[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6a]CC)(O){1|H<1>,2|C<3>,4|C<4>}	C[3x6](C[4x6]C[6,6a]C[6,6]2)(C[3x6]C[6,6]2H)(N[6]C[6]O)(CH3){2|C<3>,4|C<4>,8|H<1>}	O(N[6]C[3x6]C[6])	117.7260	0.000	1	117.7260	0.000	1	117.7260	0.000	1	117.7260	0.000	1	117.7260	0.000	1	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6,6]	O	4:4:1:	3:4:4:4:	3:	C[6,6]-4:C[6,6]-4:O-1:	N[6]-3:C[6]-4:C[6]-4:C[6]-4:	N[6]-3:	N[6](C[6,6]C[6]3)2(O)	C[6,6](N[6]C[6,6]O)(C[6]C[6]HH)3	O(N[6]C[6,6]2)	N[6](C[6,6]C[6]3)2(O){12|H<1>,1|C<3>,4|C<4>}	C[6,6](N[6]C[6,6]O)(C[6]C[6]HH)3{1|O<1>,4|C<4>,4|H<1>}	O(N[6]C[6,6]2)	117.7365	0.880	2	117.7365	0.775	2	117.7365	0.775	2	117.7365	0.775	2	117.7365	0.775	2	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	3:4:1:	3:2:4:4:	3:	C[6,6a]-3:C[6]-4:O-1:	N[6]-3:O[6]-2:C-4:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(O)	C[6](N[6]C[6,6a]O)(O[6]C[6])(CH3)2	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]O)(O[6]C[6])(CH3)2{2|C<3>,2|C<4>}	O(N[6]C[6,6a]C[6])	117.1180	0.733	2	117.1180	0.537	2	117.1180	0.537	2	117.1180	0.537	2	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	3:4:1:	3:3:1:1:	3:	C[6]-3:C[6]-4:O-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]N[6]HH)(O)	C[6](N[6]C[6]O)(N[6]N[6]C)(H)2	O(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]N[6]HH)(O){1|N<3>,4|C<3>}	C[6](N[6]C[6]O)(N[6]N[6]C)(H)2{3|C<3>}	O(N[6]C[6]2)	112.0410	0.000	1	112.0410	0.000	1	112.0410	0.000	1	112.0410	0.000	1	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	3:4:1:	3:3:3:3:	3:	C[6,6]-3:C[6]-4:O-1:	C[6a]-3:C[6a]-3:N[6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]2C[6])(O)	C[6](C[6a]C[6a]2)2(N[6]C[6,6]O)(C[6]C[6]H)	O(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]2C[6])(O){2|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)2(N[6]C[6,6]O)(C[6]C[6]H){1|C<4>,4|H<1>,6|C<3>}	O(N[6]C[6,6]C[6])	114.7045	0.241	2	114.7045	0.058	2	114.7045	0.058	2	116.2488	3.382	5	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	3:4:1:	3:3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(C[6a]C[6a]2)2	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(O){1|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	O(N[6]C[6,6a]C[6])	119.0540	0.000	1	119.0540	0.000	1	119.0540	0.000	1	116.2488	3.382	5	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	3:4:1:	3:3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O)	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)2(C[6]C[6]H)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O){2|H<1>,7|C<3>}	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)2(C[6]C[6]H){5|H<1>,6|C<3>}	O(N[6]C[6,6a]C[6])	116.3905	0.890	2	116.3905	0.793	2	116.3905	0.793	2	116.2488	3.382	5	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	3:4:1:	4:3:1:1:	3:	C[6]-3:C[6]-4:O-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:	N[6](C[6]C[6,6]N)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CO)(N[6]C[6]O)(H)2	O(N[6]C[6]2)	N[6](C[6]C[6,6]N)(C[6]C[6]HH)(O){1|O<2>,4|C<4>}	C[6](C[6]C[6]CO)(N[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	O(N[6]C[6]2)	116.4410	0.000	1	116.4410	0.000	1	116.4410	0.000	1	116.4410	0.000	1	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	3:4:1:	4:3:3:1:	3:	C[6]-3:C[6]-4:O-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(COO)(H)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]CH)(O){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(COO)(H){3|C<3>}	O(N[6]C[6]2)	114.1380	0.000	1	114.1380	0.000	1	114.1380	0.000	1	114.1380	0.000	1	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	3:4:1:	4:3:4:4:	3:	C[6]-3:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]CC)(O){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(CH3)2{3|C<3>}	O(N[6]C[6]2)	115.6480	0.000	1	115.6480	0.000	1	116.6836	1.192	5	116.6836	1.192	5	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	3:4:1:	4:3:4:4:	3:	C[6]-3:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)	N[6](C[6]C[6a]N[6])(C[6]C[6]CC)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,1|N<3>,2|C<4>}	O(N[6]C[6]2)	116.9425	1.069	4	116.9425	1.142	4	116.6836	1.192	5	116.6836	1.192	5	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:3:1:	3:2:1:1:	3:	C[6]-4:C[6]-3:O-1:	N[6]-3:O[6]-2:H-1:H-1:	N[6]-3:	N[6](C[6]O[6]HH)(C[6]C[6]C)(O)	C[6](N[6]C[6]O)(O[6]C[6])(H)2	O(N[6]C[6]2)	N[6](C[6]O[6]HH)(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](N[6]C[6]O)(O[6]C[6])(H)2{1|C<3>,3|C<4>}	O(N[6]C[6]2)	111.6620	0.000	1	111.6620	0.000	1	111.6620	0.000	1	111.6620	0.000	1	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:3:1:	3:3:3:1:	3:	C[6]-4:C[6]-3:O-1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(O)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(O){1|C<4>,4|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>}	O(N[6]C[6]2)	114.9480	0.000	1	114.9480	0.000	1	114.8175	0.034	2	114.8175	0.034	2	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:3:1:	3:3:3:1:	3:	C[6]-4:C[6]-3:O-1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(O)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(O){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O(N[6]C[6]2)	114.6870	0.000	1	114.6870	0.000	1	114.8175	0.034	2	114.8175	0.034	2	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:3:1:	3:3:4:4:	3:	C[6]-4:C[6]-3:O-1:	N[6]-3:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]N[6]CC)(C[6]C[6]H)(O)	C[6](N[6]C[6]O)(N[6]N[6]H)(CH3)2	O(N[6]C[6]2)	N[6](C[6]N[6]CC)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>}	C[6](N[6]C[6]O)(N[6]N[6]H)(CH3)2{1|C<3>,1|H<1>}	O(N[6]C[6]2)	117.5525	0.660	4	117.5525	0.435	4	117.5525	0.435	4	117.5525	0.435	4	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:3:1:	4:3:1:1:	3:	C[6]-4:C[6]-3:O-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2	O(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	O(N[6]C[6]2)	114.1460	0.000	1	114.1460	0.000	1	114.6640	0.537	2	114.6640	0.537	2	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:3:1:	4:3:1:1:	3:	C[6]-4:C[6]-3:O-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]C[6]N)(O)	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2	O(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]C[6]N)(O){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	O(N[6]C[6]2)	115.1820	0.000	1	115.1820	0.000	1	114.6640	0.537	2	114.6640	0.537	2	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:3:1:	4:3:4:4:	3:	C[6]-4:C[6]-3:O-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)	N[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	O(N[6]C[6]2)	116.2210	0.000	1	116.2210	0.000	1	116.2210	0.000	1	116.2210	0.000	1	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:4:1:	3:3:3:1:	3:	C[6]-4:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)2(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)2(O){7|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)(H){1|H<1>,3|C<4>,6|C<3>}	O(N[6]C[6]2)	107.6700	0.116	2	107.6700	0.013	2	107.6700	0.013	2	107.6700	0.013	2	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:4:1:	3:3:4:1:	3:	C[6]-4:C[6]-4:O-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CCHO)(H)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CCHO)(H){1|C<4>,2|C<3>,3|H<1>}	O(N[6]C[6]2)	123.7070	0.000	1	123.7070	0.000	1	123.7070	0.000	1	123.7070	0.000	1	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:4:1:	3:3:4:4:	3:	C[3x6]-4:C[6]-4:O-1:	C[6,6a]-3:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3x6]O)(CH3)2	O(N[6]C[3x6]C[6])	N[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6a]CC)(O){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3x6]O)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	O(N[6]C[3x6]C[6])	116.0350	0.000	1	116.0350	0.000	1	116.0350	0.000	1	116.2215	0.070	2	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:4:1:	3:3:4:4:	3:	C[6]-4:C[6]-4:O-1:	C[6]-3:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)	N[6](C[6]C[6]CC)2(O){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)2{1|C<2>,3|C<4>}	O(N[6]C[6]2)	116.4080	0.000	1	116.4080	0.000	1	116.4080	0.000	1	116.2215	0.070	2	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:4:1:	4:3:1:1:	3:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(H)2	O(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(N[6]C[6]2)	115.5770	0.000	1	115.5770	0.000	1	115.5770	0.000	1	115.5770	0.000	1	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:4:1:	4:3:3:3:	3:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-3:C-3:	N[6]-3:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CHH)2	O(N[6]C[6]2)	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CHH)2{1|H<1>,1|N<2>,3|C<4>}	O(N[6]C[6]2)	115.9270	0.000	1	115.9270	0.000	1	115.9270	0.000	1	115.9270	0.000	1	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:4:1:	4:3:4:4:	3:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[5,6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,1|N<2>,3|C<4>}	O(N[6]C[6]2)	115.6400	0.008	2	115.6400	0.000	2	116.1925	0.786	171	116.1925	0.786	171	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:4:1:	4:3:4:4:	3:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2{2|O<2>,3|C<4>}	O(N[6]C[6]2)	115.8123	0.240	4	116.4331	0.990	8	116.1925	0.786	171	116.1925	0.786	171	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:4:1:	4:3:4:4:	3:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2{2|S<4>,3|C<4>}	O(N[6]C[6]2)	117.0540	1.106	4	116.4331	0.990	8	116.1925	0.786	171	116.1925	0.786	171	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:4:1:	4:3:4:4:	3:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)	N[6](C[6]C[6]CC)2(O){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<2>,1|C<3>,2|C<4>}	O(N[6]C[6]2)	118.3940	0.000	1	116.1874	0.785	161	116.1925	0.786	171	116.1925	0.786	171	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:4:1:	4:3:4:4:	3:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)	N[6](C[6]C[6]CC)2(O){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|O<1>,3|C<4>}	O(N[6]C[6]2)	118.0685	0.812	4	116.1874	0.785	161	116.1925	0.786	171	116.1925	0.786	171	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:4:1:	4:3:4:4:	3:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	O(N[6]C[6]2)	116.1240	0.219	6	116.1874	0.785	161	116.1925	0.786	171	116.1925	0.786	171	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:4:1:	4:3:4:4:	3:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(N[6]C[6]2)	116.1390	0.000	1	116.1874	0.785	161	116.1925	0.786	171	116.1925	0.786	171	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:4:1:	4:3:4:4:	3:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<2>,3|C<4>}	O(N[6]C[6]2)	115.9898	0.371	18	116.1874	0.785	161	116.1925	0.786	171	116.1925	0.786	171	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:4:1:	4:3:4:4:	3:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	O(N[6]C[6]2)	115.8913	0.451	41	116.1874	0.785	161	116.1925	0.786	171	116.1925	0.786	171	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:4:1:	4:3:4:4:	3:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<4>,3|C<4>}	O(N[6]C[6]2)	115.9707	0.742	8	116.1874	0.785	161	116.1925	0.786	171	116.1925	0.786	171	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:4:1:	4:3:4:4:	3:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	O(N[6]C[6]2)	115.9436	0.789	61	116.1874	0.785	161	116.1925	0.786	171	116.1925	0.786	171	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP2_SP2_SP3	N[6]	C[6]	O	4:4:1:	4:3:4:4:	3:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	O(N[6]C[6]2)	117.2827	0.978	21	116.1874	0.785	161	116.1925	0.786	171	116.1925	0.786	171	116.1108	2.059	203	116.2075	2.326	210
856	466	863	0:SP3_SP2_SP3	N[6,6]	C[3x6]	O	4:4:1:	4:3:3:4:	3:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	N[6,6]-3:	N[6,6](C[3x6]C[6,6]N[6,6]C)2(O)	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3)	O(N[6,6]C[3x6]2)	N[6,6](C[3x6]C[6,6]N[6,6]C)2(O){1|C<4>,1|N<4>,2|O<2>,4|H<1>}	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3){1|N<3>,5|C<4>}	O(N[6,6]C[3x6]2)	108.8875	0.110	2	108.8875	0.012	2	108.8875	0.012	2	108.8875	0.012	2	115.4994	20.646	7	115.8665	2.364	64
856	466	863	0:SP3_SP2_SP3	N[6,6]	C[3x6]	O	4:4:1:	4:4:3:1:	3:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:	N[6,6](C[3x6]C[6,6]2H)2(O)	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H)	O(N[6,6]C[3x6]2)	N[6,6](C[3x6]C[6,6]2H)2(O){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H){1|N<3>,2|C<4>,3|H<1>}	O(N[6,6]C[3x6]2)	117.5865	0.281	2	117.7407	0.111	3	117.7407	0.111	3	117.7407	0.111	3	115.4994	20.646	7	115.8665	2.364	64
856	466	863	0:SP3_SP2_SP3	N[6,6]	C[3x6]	O	4:4:1:	4:4:3:1:	3:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:	N[6,6](C[3x6]C[6,6]2H)2(O)	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H)	O(N[6,6]C[3x6]2)	N[6,6](C[3x6]C[6,6]2H)2(O){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H){3|C<4>,3|H<1>}	O(N[6,6]C[3x6]2)	118.0490	0.000	1	117.7407	0.111	3	117.7407	0.111	3	117.7407	0.111	3	115.4994	20.646	7	115.8665	2.364	64
856	466	863	0:SP3_SP2_SP3	N[6,6]	C[3x6]	O	4:4:1:	4:4:3:4:	3:	C[3x6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:C-4:	N[6,6]-3:	N[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(CH3)	O(N[6,6]C[3x6]2)	N[6,6](C[3x6]C[6,6]2C)2(O){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(CH3){1|N<3>,5|C<4>}	O(N[6,6]C[3x6]2)	118.7495	0.105	2	118.7495	0.011	2	118.7495	0.011	2	118.7495	0.011	2	115.4994	20.646	7	115.8665	2.364	64
856	466	863	0:SP3_SP2_SP3	N[6,6]	C[6,6]	O	4:4:1:	3:4:4:1:	3:	C[6,6]-4:C[6,6]-4:O-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:	N[6,6](C[6,6]C[6]2H)2(O)	C[6,6](N[6,6]C[6,6]O)(C[6]C[6]HH)2(H)	O(N[6,6]C[6,6]2)	N[6,6](C[6,6]C[6]2H)2(O){1|C<3>,1|C<4>,8|H<1>}	C[6,6](N[6,6]C[6,6]O)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,3|H<1>}	O(N[6,6]C[6,6]2)	117.8865	0.319	2	117.8865	0.102	2	117.8865	0.102	2	117.8865	0.102	2	117.8865	0.102	2	115.8665	2.364	64
856	466	863	0:SP3_SP2_SP3	N[6]	C[6,6]	O	4:4:1:	3:4:4:4:	3:	C[6,6]-4:C[6,6]-4:O-1:	N[6]-3:C[6]-4:C[6]-4:C[6]-4:	N[6]-3:	N[6](C[6,6]C[6]3)2(O)	C[6,6](N[6]C[6,6]O)(C[6]C[6]HH)3	O(N[6]C[6,6]2)	N[6](C[6,6]C[6]3)2(O){12|H<1>,5|C<4>}	C[6,6](N[6]C[6,6]O)(C[6]C[6]HH)3{1|N<3>,4|C<4>,5|H<1>}	O(N[6]C[6,6]2)	115.1680	0.980	2	115.1680	0.960	2	115.1680	0.960	2	115.1680	0.960	2	115.1680	0.960	2	115.8665	2.364	64
856	466	863	0:SP3_SP2_SP3	N[6]	C[6]	O	4:4:1:	4:3:4:3:	3:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-3:	N[6]-3:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)(CHH)	O(N[6]C[6]2)	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)(CHH){2|H<1>,3|C<4>}	O(N[6]C[6]2)	114.8840	0.000	1	114.8840	0.000	1	114.8840	0.000	1	114.8840	0.000	1	115.8652	0.267	53	115.8665	2.364	64
856	466	863	0:SP3_SP2_SP3	N[6]	C[6]	O	4:4:1:	4:3:4:4:	3:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[5,6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,1|N<2>,3|C<4>}	O(N[6]C[6]2)	116.1985	0.623	2	116.1985	0.388	2	115.8840	0.253	52	115.8840	0.253	52	115.8652	0.267	53	115.8665	2.364	64
856	466	863	0:SP3_SP2_SP3	N[6]	C[6]	O	4:4:1:	4:3:4:4:	3:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]BrH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)	N[6](C[6]C[6]CC)2(O){2|Br<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]BrH)(N[6]C[6]O)(CH3)2{1|O<1>,3|C<4>}	O(N[6]C[6]2)	114.9810	0.000	1	114.9810	0.000	1	115.8840	0.253	52	115.8840	0.253	52	115.8652	0.267	53	115.8665	2.364	64
856	466	863	0:SP3_SP2_SP3	N[6]	C[6]	O	4:4:1:	4:3:4:4:	3:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	O(N[6]C[6]2)	116.8720	0.000	1	115.8896	0.240	49	115.8840	0.253	52	115.8840	0.253	52	115.8652	0.267	53	115.8665	2.364	64
856	466	863	0:SP3_SP2_SP3	N[6]	C[6]	O	4:4:1:	4:3:4:4:	3:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<2>,3|C<4>}	O(N[6]C[6]2)	115.9500	0.449	16	115.8896	0.240	49	115.8840	0.253	52	115.8840	0.253	52	115.8652	0.267	53	115.8665	2.364	64
856	466	863	0:SP3_SP2_SP3	N[6]	C[6]	O	4:4:1:	4:3:4:4:	3:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	O(N[6]C[6]2)	115.9505	0.417	6	115.8896	0.240	49	115.8840	0.253	52	115.8840	0.253	52	115.8652	0.267	53	115.8665	2.364	64
856	466	863	0:SP3_SP2_SP3	N[6]	C[6]	O	4:4:1:	4:3:4:4:	3:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	O(N[6]C[6]2)	115.8154	0.519	24	115.8896	0.240	49	115.8840	0.253	52	115.8840	0.253	52	115.8652	0.267	53	115.8665	2.364	64
856	466	863	0:SP3_SP2_SP3	N[6]	C[6]	O	4:4:1:	4:3:4:4:	3:	C[6]-4:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	O(N[6]C[6]2)	115.6230	0.328	2	115.8896	0.240	49	115.8840	0.253	52	115.8840	0.253	52	115.8652	0.267	53	115.8665	2.364	64
856	466	874	0:SP2_SP3_SP3	N[6,6]	C[6]	B[6,6]	4:3:4:	3:4:1:1:	3:3:3:2:	B[6,6]-4:C[3x6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	O[5,6,6]-3:N[6,6]-3:N[6,6]-3:O-2:	N[6,6](B[6,6]O[5,6,6]N[6,6]O)(C[3x6]N[6,6]2)(C[6]C[6]HH)	C[6](N[6,6]B[6,6]C[3x6])(C[6]C[6]HH)(H)2	B[6,6](O[5,6,6]B[5,6,6]C[5,6a])(N[6,6]C[3x6]C[6])2(OS)	N[6,6](B[6,6]O[5,6,6]N[6,6]O)(C[3x6]N[6,6]2)(C[6]C[6]HH){1|B<4>,2|C<3>,2|H<1>,4|C<4>}	C[6](N[6,6]B[6,6]C[3x6])(C[6]C[6]HH)(H)2{1|O<2>,1|O<3>,2|H<1>,3|N<3>}	B[6,6](O[5,6,6]B[5,6,6]C[5,6a])(N[6,6]C[3x6]C[6])2(OS){1|O<2>,2|C<3>,2|C<4>,4|H<1>,4|N<3>}	119.3575	8.100	2	119.3575	65.609	2	119.3575	65.609	2	119.3575	65.609	2	119.3575	65.609	2	118.3298	15.719	6
856	466	874	0:SP2_SP3_SP3	N[6]	C[6]	B[6]	3:4:4:	4:3:4:1:	2:3:1:1:	C[6]-3:B[6]-4:C[6]-4:	C[6]-4:N[6]-3:C[6]-4:H-1:	O[6]-2:N[6]-3:F-1:F-1:	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(N[6]B[6]C[6])(C[6]C[6]HH)(H)	B[6](O[6]C[6,6a])(N[6]C[6]2)(F)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[6]H)(N[6]B[6]C[6])(C[6]C[6]HH)(H){1|B<4>,1|C<4>,1|O<2>,2|C<3>,2|F<1>,5|H<1>}	B[6](O[6]C[6,6a])(N[6]C[6]2)(F)2{2|C<3>,2|C<4>,2|H<1>}	116.3100	0.813	2	116.3100	0.661	2	116.3100	0.661	2	116.3100	0.661	2	117.8160	3.273	4	118.3298	15.719	6
856	466	874	0:SP2_SP3_SP3	N[6]	C[6]	B[6]	4:4:3:	3:4:4:1:	3:3:3:2:	B[6]-4:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	N[6](B[6]C[6a]2O[6])(C[6]C[6]2H)(C[6]N[6]O)	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H)	B[6](C[6a]C[6a]2)2(N[6]C[6]2)(O[6]C[6])	N[6](B[6]C[6a]2O[6])(C[6]C[6]2H)(C[6]N[6]O){2|C<4>,4|H<1>,6|C<3>}	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	B[6](C[6a]C[6a]2)2(N[6]C[6]2)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|F<1>,5|C<3>}	119.5280	0.000	1	119.3220	0.085	2	119.3220	0.085	2	119.3220	0.085	2	117.8160	3.273	4	118.3298	15.719	6
856	466	874	0:SP2_SP3_SP3	N[6]	C[6]	B[6]	4:4:3:	3:4:4:1:	3:3:3:2:	B[6]-4:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	N[6](B[6]C[6a]2O[6])(C[6]C[6]2H)(C[6]N[6]O)	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H)	B[6](C[6a]C[6a]2)2(N[6]C[6]2)(O[6]C[6])	N[6](B[6]C[6a]2O[6])(C[6]C[6]2H)(C[6]N[6]O){3|C<4>,4|H<1>,5|C<3>}	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	B[6](C[6a]C[6a]2)2(N[6]C[6]2)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|F<1>,5|C<3>}	119.1160	0.000	1	119.3220	0.085	2	119.3220	0.085	2	119.3220	0.085	2	117.8160	3.273	4	118.3298	15.719	6
856	466	874	6:SP2_SP3_SP3	N[6,6]	C[6]	B[6,6]	4:3:4:	3:4:1:1:	3:2:2:2:	B[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:O[6]-2:O[6]-2:O-2:	N[6,6](B[6,6]O[6]2O)(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2	B[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(OC)	N[6,6](B[6,6]O[6]2O)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,3|O<2>}	B[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(OC){1|C<4>,2|C<3>,5|H<1>}	115.8570	0.000	1	115.8570	0.000	1	115.8570	0.000	1	115.8570	0.000	1	115.8570	0.000	1	111.6931	2.132	12
856	466	874	6:SP2_SP3_SP3	N[6]	C[6]	B[6,6]	4:4:4:	3:4:1:1:	4:3:3:1:	B[6,6]-4:C[6]-4:P-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-4:N[6]-3:N[6]-3:F-1:	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Ni)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(F)	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Ni){1|P<4>,3|C<4>,3|H<1>}	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{1|F<1>,1|N<3>,1|N<4>,2|H<1>}	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(F){2|C<4>,8|H<1>}	111.5222	0.226	4	111.5222	0.051	4	111.5222	0.051	4	111.5222	0.051	4	111.3145	0.454	11	111.6931	2.132	12
856	466	874	6:SP2_SP3_SP3	N[6]	C[6]	B[6,6]	4:4:4:	3:4:1:1:	4:3:3:2:	B[6,6]-4:C[6]-4:P-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-4:N[6]-3:N[6]-3:O-2:	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Ni)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC)	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Ni){1|P<4>,3|C<4>,3|H<1>}	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,1|O<2>,2|H<1>}	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC){2|C<4>,8|H<1>}	111.6085	0.564	2	111.6085	0.318	2	111.4617	0.230	6	111.4617	0.230	6	111.3145	0.454	11	111.6931	2.132	12
856	466	874	6:SP2_SP3_SP3	N[6]	C[6]	B[6,6]	4:4:4:	3:4:1:1:	4:3:3:2:	B[6,6]-4:C[6]-4:P-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-4:N[6]-3:N[6]-3:O-2:	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Pd)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC)	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Pd){1|P<4>,3|C<4>,3|H<1>}	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,1|O<2>,2|H<1>}	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC){2|C<4>,8|H<1>}	111.3882	0.506	4	111.3882	0.256	4	111.4617	0.230	6	111.4617	0.230	6	111.3145	0.454	11	111.6931	2.132	12
856	466	874	6:SP2_SP3_SP3	N[6]	C[6]	B[6,6]	4:4:4:	3:4:1:1:	4:4:3:1:	B[6,6]-4:C[6]-4:P-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-4:N[6]-4:N[6]-3:F-1:	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	B[6,6](N[6,6]C[6]2H)(N[6]C[6]HP)(N[6]C[6]P)(F)	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo){1|P<4>,3|C<4>,4|H<1>}	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{1|F<1>,2|H<1>,2|N<4>}	B[6,6](N[6,6]C[6]2H)(N[6]C[6]HP)(N[6]C[6]P)(F){2|C<4>,8|H<1>}	109.6010	0.000	1	109.6010	0.000	1	109.6010	0.000	1	109.6010	0.000	1	111.3145	0.454	11	111.6931	2.132	12
856	466	874	6:SP3_SP3_SP3	N[6]	C[6]	B[6,6]	4:4:4:	3:4:1:1:	4:3:3:2:	B[6,6]-4:C[6]-4:P-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-4:N[6]-3:N[6]-3:O-2:	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Ni)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OH)	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Ni){1|P<4>,3|C<4>,3|H<1>}	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,1|O<2>,2|H<1>}	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OH){2|C<4>,8|H<1>}	111.5265	0.194	2	111.5265	0.038	2	111.5265	0.038	2	111.5265	0.038	2	111.5265	0.038	2	110.8437	1.418	3
856	466	874	6:SP3_SP3_SP3	N[6]	C[6]	B[6]	4:4:4:	4:3:1:1:	4:3:1:1:	B[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](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	B[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	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>}	B[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	109.4780	0.000	1	109.4780	0.000	1	109.4780	0.000	1	109.4780	0.000	1	109.4780	0.000	1	110.8437	1.418	3
856	466	880	0:SP2_SP3_SP3	N[6]	C[6]	Si	3:4:4:	3:4:1:1:	3:3:4:4:	C[6,6]-3:C[6]-4:Si-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:C-4:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiN[6]CC)	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2	Si(N[6]C[6,6]C[6])2(CH3)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiN[6]CC){1|Si<4>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	Si(N[6]C[6,6]C[6])2(CH3)2	120.3670	0.280	2	120.3670	0.078	2	120.3670	0.078	2	120.3670	0.078	2	119.7277	13.970	12	119.7277	13.970	12
856	466	880	0:SP2_SP3_SP3	N[6]	C[6]	Si	3:4:4:	3:4:1:1:	3:4:4:4:	C[6,6]-3:C[6]-4:Si-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiC3)	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2	Si(N[6]C[6,6]C[6])(CH3)3	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiC3){1|Cu<2>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	Si(N[6]C[6,6]C[6])(CH3)3	116.1710	0.000	1	116.1710	0.000	1	120.4405	36.457	2	120.4405	36.457	2	119.7277	13.970	12	119.7277	13.970	12
856	466	880	0:SP2_SP3_SP3	N[6]	C[6]	Si	3:4:4:	3:4:1:1:	3:4:4:4:	C[6,6]-3:C[6]-4:Si-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiC3)	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2	Si(N[6]C[6,6]C[6])(CSi2H)(CH3)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiC3){2|H<1>,3|C<4>}	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	Si(N[6]C[6,6]C[6])(CSi2H)(CH3)2	124.7100	0.000	1	124.7100	0.000	1	120.4405	36.457	2	120.4405	36.457	2	119.7277	13.970	12	119.7277	13.970	12
856	466	880	0:SP2_SP3_SP3	N[6]	C[6]	Si	4:3:4:	3:3:1:1:	3:4:4:4:	C[6]-4:C[6]-3:Si-4:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]C[6]HH)(C[6]C[6]O)(SiC3)	C[6](N[6]C[6]Si)(C[6]N[6]O)(H)2	Si(N[6]C[6]2)(CH3)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(SiC3){1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]N[6]O)(H)2{1|Si<4>,1|C<4>,1|O<1>}	Si(N[6]C[6]2)(CH3)3	123.2990	2.551	3	123.2990	6.508	3	123.2990	6.508	3	123.2990	6.508	3	119.7277	13.970	12	119.7277	13.970	12
856	466	880	0:SP2_SP3_SP3	N[6]	C[6]	Si	4:4:4:	3:3:1:1:	3:4:4:4:	P[5,6]-4:C[6]-4:Si-4:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](P[5,6]C[5]2C[6])(C[6]C[6]HH)(SiC3)	C[6](N[6]P[5,6]Si)(C[6]C[6]C)(H)2	Si(N[6]P[5,6]C[6])(CH3)3	N[6](P[5,6]C[5]2C[6])(C[6]C[6]HH)(SiC3){1|C<4>,3|C<3>,6|H<1>}	C[6](N[6]P[5,6]Si)(C[6]C[6]C)(H)2{4|C<4>}	Si(N[6]P[5,6]C[6])(CH3)3	116.4153	0.337	3	116.4153	0.114	3	116.4153	0.114	3	116.4153	0.114	3	119.7277	13.970	12	119.7277	13.970	12
856	466	880	0:SP2_SP3_SP3	N[6]	C[6]	Si	4:4:4:	4:3:1:1:	3:4:4:4:	Nb[6]-4:C[6]-4:Si-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](Nb[6]N[6]CN)(C[6]C[6]HH)(SiC3)	C[6](C[6]C[6a]C[6]C)(N[6]Nb[6]Si)(H)2	Si(N[6]Nb[6]C[6])(CH3)3	N[6](Nb[6]N[6]CN)(C[6]C[6]HH)(SiC3){1|Si<4>,1|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(N[6]Nb[6]Si)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	Si(N[6]Nb[6]C[6])(CH3)3	117.9870	4.982	2	117.9870	24.823	2	117.9870	24.823	2	117.9870	24.823	2	119.7277	13.970	12	119.7277	13.970	12
856	466	880	0:SP3_SP3_SP3	N[6,6]	C[6,6]	Si	5:4:4:	4:3:1:1:	3:4:4:4:	Nb[3x6]-5:C[6,6]-4:Si-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C-4:C-4:C-4:	N[6,6](Nb[3x6]N[3x6]N[6,6]NO)(C[6,6]C[3x6]HH)(SiC3)	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3x6]Si)(H)2	Si(N[6,6]Nb[3x6]C[6,6])(CH3)3	N[6,6](Nb[3x6]N[3x6]N[6,6]NO)(C[6,6]C[3x6]HH)(SiC3){1|S<4>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3x6]Si)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|N<3>}	Si(N[6,6]Nb[3x6]C[6,6])(CH3)3	110.4950	0.000	1	110.4950	0.000	1	110.4950	0.000	1	110.4950	0.000	1	112.0944	1.492	7	113.9897	15.293	9
856	466	880	0:SP3_SP3_SP3	N[6,6]	C[6,6]	Si	6:4:4:	4:3:1:1:	3:4:4:4:	Nb[3x6]-6:C[6,6]-4:Si-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C-4:C-4:C-4:	N[6,6](Nb[3x6]N[3x6]N[6,6]N[6]ClN)(C[6,6]C[3x6]HH)(SiC3)	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3x6]Si)(H)2	Si(N[6,6]Nb[3x6]C[6,6])(CH3)3	N[6,6](Nb[3x6]N[3x6]N[6,6]N[6]ClN)(C[6,6]C[3x6]HH)(SiC3){1|Si<4>,2|C<4>,4|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3x6]Si)(H)2{1|Cl<1>,1|C<3>,1|N<2>,2|H<1>,3|N<3>}	Si(N[6,6]Nb[3x6]C[6,6])(CH3)3	112.9010	0.030	2	112.9010	0.001	2	112.9010	0.001	2	112.9010	0.001	2	112.0944	1.492	7	113.9897	15.293	9
856	466	880	0:SP3_SP3_SP3	N[6,6]	C[6,6]	Si	7:4:4:	4:3:1:1:	3:4:4:4:	Nb[3,3,3x6]-7:C[6,6]-4:Si-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C-4:C-4:C-4:	N[6,6](Nb[3,3,3x6]N[3,6,6]C[3,3]N[3x6]N[3]ClN)(C[6,6]C[3x6]HH)(SiC3)	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3,3,3x6]Si)(H)2	Si(N[6,6]Nb[3,3,3x6]C[6,6])(CH3)3	N[6,6](Nb[3,3,3x6]N[3,6,6]C[3,3]N[3x6]N[3]ClN)(C[6,6]C[3x6]HH)(SiC3){1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3,3,3x6]Si)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>,3|N<3>}	Si(N[6,6]Nb[3,3,3x6]C[6,6])(CH3)3	112.0910	1.303	4	112.0910	1.698	4	112.0910	1.698	4	112.0910	1.698	4	112.0944	1.492	7	113.9897	15.293	9
856	466	880	0:SP3_SP3_SP3	N[6]	C[6]	Si	4:4:4:	4:3:1:1:	3:4:4:4:	Nb[6]-4:C[6]-4:Si-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](Nb[6]N[6]CN)(C[6]C[6]HH)(SiC3)	C[6](C[6]C[6a]C[6]C)(N[6]Nb[6]Si)(H)2	Si(N[6]Nb[6]C[6])(CH3)3	N[6](Nb[6]N[6]CN)(C[6]C[6]HH)(SiC3){1|Si<4>,1|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(N[6]Nb[6]Si)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	Si(N[6]Nb[6]C[6])(CH3)3	120.6230	0.498	2	120.6230	0.248	2	120.6230	0.248	2	120.6230	0.248	2	120.6230	0.248	2	113.9897	15.293	9
856	466	885	0:SP2_SP-NON_SP3	N[6]	C[6]	Ga[5]	4:4:3:	3:4:1:1:	3:3:3:3:	Ga[5]-4:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[5]-3:N[5]-3:N[6]-3:P-3:	N[6](Ga[5]N[5]2P)(C[6]C[6]HH)(C[6]N[6]C)	C[6](N[6]Ga[5]C[6])(C[6]C[6]HH)(H)2	Ga[5](N[5]C[6a]C[5])2(N[6]C[6]2)(PC[6a]H)	N[6](Ga[5]N[5]2P)(C[6]C[6]HH)(C[6]N[6]C){2|C<4>,2|H<1>,4|C<3>}	C[6](N[6]Ga[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|H<1>,3|N<3>}	Ga[5](N[5]C[6a]C[5])2(N[6]C[6]2)(PC[6a]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	117.1160	0.000	1	117.1160	0.000	1	117.1160	0.000	1	117.1160	0.000	1	117.1160	0.000	1	117.1160	0.000	1
856	466	887	0:SP2_SP3_SP3	N[6]	C[6]	S	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6]-3:S-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	S(N[6]C[6]2)(CC3)(O)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO){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]S)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	S(N[6]C[6]2)(CC3)(O)	118.2117	0.043	3	118.2117	0.002	3	118.2117	0.002	3	118.2117	0.002	3	119.5452	2.388	6	119.5452	2.388	6
856	466	887	0:SP2_SP3_SP3	N[6]	C[6]	S	4:3:3:	4:3:2:1:	3:4:1:	C[6]-4:C[6]-3:S-3:	C[6]-4:N[6]-3:O-2:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HO)(C[6]C[6]C)(SCO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H)	S(N[6]C[6]2)(CC[6a]FF)(O)	N[6](C[6]C[6]HO)(C[6]C[6]C)(SCO){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	S(N[6]C[6]2)(CC[6a]FF)(O)	121.1460	0.000	1	121.1460	0.000	1	121.1460	0.000	1	121.1460	0.000	1	119.5452	2.388	6	119.5452	2.388	6
856	466	887	0:SP2_SP3_SP3	N[6]	C[6]	S	4:4:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-4:S-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)2(SC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6a]C[6]H)2(SC[6a]O){2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)	119.9830	0.000	1	119.9830	0.000	1	119.9830	0.000	1	119.9830	0.000	1	119.5452	2.388	6	119.5452	2.388	6
856	466	887	0:SP2_SP3_SP3	N[6]	C[6]	S	4:4:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-4:S-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)2(SC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6a]C[6]H)2(SC[6a]O){2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<2>,3|H<1>,4|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)	121.5070	0.000	1	121.5070	0.000	1	121.5070	0.000	1	121.5070	0.000	1	119.5452	2.388	6	119.5452	2.388	6
856	466	887	0:SP3_SP3_SP3	N[6]	C[6,6]	S	4:4:3:	3:3:3:1:	3:4:1:	C[6,6]-4:C[6]-4:S-3:	C[6,6a]-3:C[6,6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(SCO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]S)(H)	S(N[6]C[6,6]C[6])(CC3)(O)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(SCO){1|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	S(N[6]C[6,6]C[6])(CC3)(O)	112.0055	0.224	2	112.0055	0.050	2	112.0055	0.050	2	112.0055	0.050	2	112.0055	0.050	2	115.4244	11.240	8
856	466	887	0:SP3_SP3_SP3	N[6]	C[6]	S	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6]-3:S-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	S(N[6]C[6]2)(CC3)(O)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO){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]S)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	S(N[6]C[6]2)(CC3)(O)	118.5340	0.066	2	118.5340	0.004	2	118.5340	0.004	2	118.5340	0.004	2	116.5640	9.492	6	115.4244	11.240	8
856	466	887	0:SP3_SP3_SP3	N[6]	C[6]	S	4:4:3:	3:3:1:1:	3:4:1:	C[6,6]-4:C[6]-4:S-3:	C[5,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(SCO)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]S)(H)2	S(N[6]C[6,6]C[6])(CC3)(O)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(SCO){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	S(N[6]C[6,6]C[6])(CC3)(O)	114.4430	0.940	2	114.4430	0.884	2	114.4430	0.884	2	114.4430	0.884	2	116.5640	9.492	6	115.4244	11.240	8
856	466	887	0:SP3_SP3_SP3	N[6]	C[6]	S	4:4:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-4:S-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CC[6a]HH)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]O){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)	112.8570	0.000	1	112.8570	0.000	1	112.8570	0.000	1	112.8570	0.000	1	116.5640	9.492	6	115.4244	11.240	8
856	466	887	0:SP3_SP3_SP3	N[6]	C[6]	S	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:S-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2	S(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]O){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)	120.5730	0.000	1	120.5730	0.000	1	120.5730	0.000	1	120.5730	0.000	1	116.5640	9.492	6	115.4244	11.240	8
856	466	892	0:SP3_SP3_SP3	N[6]	C[6]	N	4:4:4:	4:3:1:1:	3:1:1:1:	C[6]-4:C[6]-4:N-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(NH3)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	N(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(NH3){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,3|H<1>}	N(N[6]C[6]2)(H)3	108.8255	0.398	2	108.8255	0.158	2	108.8255	0.158	2	108.8255	0.158	2	108.8255	0.158	2	108.8255	0.158	2
856	466	893	0:SP2_SP2_SP3	N[6]	C[6]	O	4:4:2:	3:2:1:1:	3:3:	C[6]-4:C[6]-4:O-2:	N[6]-3:C[6]-2:C-1:C-1:	N[6]-3:C-3:	N[6](C[6]C[6]CC)2(OC)	C[6](N[6]C[6]O)(C[6]C[6])(C)2	O(N[6]C[6]2)(CNO)	N[6](C[6]C[6]CC)2(OC){1|C<2>}	C[6](N[6]C[6]O)(C[6]C[6])(C)2{1|C<2>,2|C<1>}	O(N[6]C[6]2)(CNO)	106.2710	0.865	2	106.2710	0.749	2	106.2710	0.749	2	106.2710	0.749	2	106.0067	0.305	10	106.0067	0.305	10
856	466	893	0:SP2_SP2_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	3:3:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-3:	N[6](C[6]C[6]CC)2(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)(CCO)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	O(N[6]C[6]2)(CCO)	105.9917	0.577	6	105.9917	0.333	6	105.9406	0.260	8	105.9406	0.260	8	106.0067	0.305	10	106.0067	0.305	10
856	466	893	0:SP2_SP2_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	3:3:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-3:	N[6](C[6]C[6]CC)2(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)(CC[6a]C)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	O(N[6]C[6]2)(CC[6a]C)	105.7875	0.302	2	105.7875	0.091	2	105.9406	0.260	8	105.9406	0.260	8	106.0067	0.305	10	106.0067	0.305	10
856	466	893	0:SP2_SP3_SP3	N[6,6]	C[3x6]	O	3:4:2:	3:3:3:1:	3:4:	C[5,6,6]-3:C[3x6]-4:O-2:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	N[6,6]-3:B-4:	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(OB)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H)	O(N[6,6]C[5,6,6]C[3x6])(BC[6a]3)	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(OB){1|H<1>,1|S<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H){1|C<4>,2|H<1>,5|C<3>}	O(N[6,6]C[5,6,6]C[3x6])(BC[6a]3)	123.6395	0.145	2	123.6395	0.021	2	123.6395	0.021	2	123.6395	0.021	2	123.6395	0.021	2	114.6462	16.165	15
856	466	893	0:SP2_SP3_SP3	N[6]	C[6,6]	O	4:3:2:	3:3:3:1:	3:4:	C[6,6]-4:C[6]-3:O-2:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6]-3:C-4:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(OC)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]O[6])(N[6]C[6]O)(H)	O(N[6]C[6,6]C[6])(CC[6a]HH)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]O[6])(N[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	O(N[6]C[6,6]C[6])(CC[6a]HH)	114.0970	0.000	1	114.0970	0.000	1	114.0970	0.000	1	114.0970	0.000	1	114.0970	0.000	1	114.6462	16.165	15
856	466	893	0:SP2_SP3_SP3	N[6]	C[6]	O	3:4:2:	4:3:1:1:	3:4:	C[6]-3:C[6]-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(OC)	C[6](C[6]C[6,6a]CH)(N[6]C[6]O)(H)2	O(N[6]C[6]2)(CH3)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]O)(H)2{1|O<1>,2|C<3>}	O(N[6]C[6]2)(CH3)	112.5650	0.000	1	112.5650	0.000	1	111.9370	0.789	2	111.9370	0.789	2	113.1931	3.535	12	114.6462	16.165	15
856	466	893	0:SP2_SP3_SP3	N[6]	C[6]	O	3:4:2:	4:3:1:1:	3:4:	C[6]-3:C[6]-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:	N[6](C[6]N[5a,6]O)(C[6]C[6]HH)(OC)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]O)(H)2	O(N[6]C[6]2)(CH3)	N[6](C[6]N[5a,6]O)(C[6]C[6]HH)(OC){1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]O)(H)2{1|N<3>,1|O<1>,3|C<3>}	O(N[6]C[6]2)(CH3)	111.3090	0.000	1	111.3090	0.000	1	111.9370	0.789	2	111.9370	0.789	2	113.1931	3.535	12	114.6462	16.165	15
856	466	893	0:SP2_SP3_SP3	N[6]	C[6]	O	3:4:2:	4:3:2:1:	3:4:	C[6]-3:C[6]-4:O-2:	C[6]-4:N[6]-3:O-2:H-1:	N[6]-3:C-4:	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OC)(H)	O(N[6]C[6]2)(CH3)	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OC)(H){1|O<1>,4|C<3>}	O(N[6]C[6]2)(CH3)	114.6370	0.000	1	114.6370	0.000	1	114.6370	0.000	1	114.6370	0.000	1	113.1931	3.535	12	114.6462	16.165	15
856	466	893	0:SP2_SP3_SP3	N[6]	C[6]	O	3:4:2:	4:3:4:1:	3:4:	C[6]-3:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-4:	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(OC)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(CCHH)(H)	O(N[6]C[6]2)(CH3)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(OC){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(CCHH)(H){1|O<1>,4|C<3>}	O(N[6]C[6]2)(CH3)	114.7310	0.000	1	114.7310	0.000	1	114.7310	0.000	1	114.7310	0.000	1	113.1931	3.535	12	114.6462	16.165	15
856	466	893	0:SP2_SP3_SP3	N[6]	C[6]	O	3:4:2:	4:3:4:4:	3:1:	C[6]-3:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:H-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]CC)(OH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]CC)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(CH3)2{1|O<1>,2|C<3>}	O(N[6]C[6]2)(H)	112.8510	0.000	1	112.8510	0.000	1	112.8510	0.000	1	112.8510	0.000	1	113.1931	3.535	12	114.6462	16.165	15
856	466	893	0:SP2_SP3_SP3	N[6]	C[6]	O	4:3:2:	3:3:4:1:	3:4:	C[6]-4:C[6]-3:O-2:	C[5a,6]-3:N[6]-3:C-4:H-1:	N[6]-3:C-4:	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(OC)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(CCHH)(H)	O(N[6]C[6]2)(CC[6a]HH)	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(OC){1|C<3>,1|N<3>,2|C<4>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(CCHH)(H){1|O<1>,2|C<3>,2|C<4>}	O(N[6]C[6]2)(CC[6a]HH)	110.2590	0.000	1	110.2590	0.000	1	110.2590	0.000	1	112.5600	3.995	3	113.1931	3.535	12	114.6462	16.165	15
856	466	893	0:SP2_SP3_SP3	N[6]	C[6]	O	4:3:2:	3:3:4:1:	3:4:	C[6]-4:C[6]-3:O-2:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C-4:	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H)	O(N[6]C[6]2)(CC[6a]HH)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>}	O(N[6]C[6]2)(CC[6a]HH)	113.8640	0.000	1	113.8640	0.000	1	113.7105	0.047	2	112.5600	3.995	3	113.1931	3.535	12	114.6462	16.165	15
856	466	893	0:SP2_SP3_SP3	N[6]	C[6]	O	4:3:2:	3:3:4:1:	3:4:	C[6]-4:C[6]-3:O-2:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C-4:	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	C[6](C[6]O[6]N)(N[6]C[6]O)(CCCH)(H)	O(N[6]C[6]2)(CC[6a]HH)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]O[6]N)(N[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>}	O(N[6]C[6]2)(CC[6a]HH)	113.5570	0.000	1	113.5570	0.000	1	113.7105	0.047	2	112.5600	3.995	3	113.1931	3.535	12	114.6462	16.165	15
856	466	893	0:SP2_SP3_SP3	N[6]	C[6]	O	4:3:2:	4:3:1:1:	3:4:	C[6]-4:C[6]-3:O-2:	C[3,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(OC)	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]O)(H)2	O(N[6]C[6]2)(CC3)	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(OC){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(N[6]C[6]2)(CC3)	110.8060	0.000	1	110.8060	0.000	1	110.8060	0.000	1	110.8060	0.000	1	113.1931	3.535	12	114.6462	16.165	15
856	466	893	0:SP2_SP3_SP3	N[6]	C[6]	O	4:3:2:	4:3:4:1:	3:4:	C[6]-4:C[6]-3:O-2:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-4:	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	C[6](C[6]C[6]HO)(N[6]C[6]O)(CCHH)(H)	O(N[6]C[6]2)(CC[6a]HH)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]O)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	O(N[6]C[6]2)(CC[6a]HH)	112.0680	0.000	1	112.0680	0.000	1	112.0680	0.000	1	112.0680	0.000	1	113.1931	3.535	12	114.6462	16.165	15
856	466	893	0:SP2_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	3:1:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:H-1:	N[6](C[6]C[6]CC)2(OH)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)(H)	N[6](C[6]C[6]CC)2(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	O(N[6]C[6]2)(H)	115.8350	0.513	2	115.8350	0.264	2	115.8350	0.264	2	115.8350	0.264	2	113.1931	3.535	12	114.6462	16.165	15
856	466	893	0:SP3_SP2_SP3	N[6]	C[6]	O	4:4:2:	3:3:3:4:	3:3:	C[6]-4:C[6]-4:O-2:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	N[6]-3:C-3:	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)(CC[6a]O)	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC){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]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	O(N[6]C[6]2)(CC[6a]O)	107.0745	2.029	2	107.0745	4.116	2	105.9733	5.695	3	105.9733	5.695	3	105.4952	1.641	18	105.4952	1.641	18
856	466	893	0:SP3_SP2_SP3	N[6]	C[6]	O	4:4:2:	3:3:3:4:	3:3:	C[6]-4:C[6]-4:O-2:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	N[6]-3:C-3:	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]O)(CH3)	O(N[6]C[6]2)(CCO)	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]O)(CH3){1|C<4>,4|C<3>,4|H<1>}	O(N[6]C[6]2)(CCO)	103.7710	0.000	1	103.7710	0.000	1	105.9733	5.695	3	105.9733	5.695	3	105.4952	1.641	18	105.4952	1.641	18
856	466	893	0:SP3_SP2_SP3	N[6]	C[6]	O	4:4:2:	4:3:1:1:	3:3:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC)	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(H)2	O(N[6]C[6]2)(CCO)	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(H)2{1|C<4>,3|C<3>}	O(N[6]C[6]2)(CCO)	107.0100	0.000	1	107.0100	0.000	1	104.9290	3.302	3	104.9290	3.302	3	105.4952	1.641	18	105.4952	1.641	18
856	466	893	0:SP3_SP2_SP3	N[6]	C[6]	O	4:4:2:	4:3:1:1:	3:3:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC)	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(H)2	O(N[6]C[6]2)(CC[6a]O)	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(H)2{1|C<4>,3|C<3>}	O(N[6]C[6]2)(CC[6a]O)	103.8885	0.330	2	103.8885	0.109	2	104.9290	3.302	3	104.9290	3.302	3	105.4952	1.641	18	105.4952	1.641	18
856	466	893	0:SP3_SP2_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	3:3:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-3:	N[6](C[6]C[6]CC)2(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)(CCO)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	O(N[6]C[6]2)(CCO)	106.0553	0.453	4	106.0553	0.205	4	105.5172	0.750	12	105.5172	0.750	12	105.4952	1.641	18	105.4952	1.641	18
856	466	893	0:SP3_SP2_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	3:3:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-3:	N[6](C[6]C[6]CC)2(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)(CC[6a]C)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	O(N[6]C[6]2)(CC[6a]C)	105.2481	0.918	8	105.2481	0.843	8	105.5172	0.750	12	105.5172	0.750	12	105.4952	1.641	18	105.4952	1.641	18
856	466	893	0:SP3_SP3_SP3	N[6,6]	C[3x6]	O	4:4:2:	4:3:3:4:	3:1:	C[3x6]-4:C[3x6]-4:O-2:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	N[6,6]-3:H-1:	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH)	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3)	O(N[6,6]C[3x6]2)(H)	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH){1|C<4>,1|N<4>,1|O<1>,1|O<2>,4|H<1>}	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3){1|N<3>,5|C<4>}	O(N[6,6]C[3x6]2)(H)	106.0968	1.073	4	107.6291	2.755	16	107.6291	2.755	16	107.6291	2.755	16	107.6291	2.755	16	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6,6]	C[3x6]	O	4:4:2:	4:3:3:4:	3:1:	C[3x6]-4:C[3x6]-4:O-2:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	N[6,6]-3:H-1:	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH)	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3)	O(N[6,6]C[3x6]2)(H)	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH){1|C<4>,1|N<4>,2|O<2>,4|H<1>}	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3){1|H<1>,1|N<3>,4|C<4>}	O(N[6,6]C[3x6]2)(H)	108.1398	1.518	12	107.6291	2.755	16	107.6291	2.755	16	107.6291	2.755	16	107.6291	2.755	16	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6,6]	C[6,6]	O	4:4:2:	3:4:2:1:	3:1:	C[5,6,6]-4:C[6,6]-4:O-2:	N[6,6]-3:C[6]-4:O[6]-2:H-1:	N[6,6]-3:H-1:	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)	O(N[6,6]C[5,6,6]C[6,6])(H)	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>}	O(N[6,6]C[5,6,6]C[6,6])(H)	108.0430	0.000	1	108.0430	0.000	1	108.0430	0.000	1	108.0430	0.000	1	108.0430	0.000	1	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6,6]	O	4:3:2:	4:3:3:1:	3:4:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(OC)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]H)(N[6]C[6]O)(O)	O(N[6]C[6,6]C[6])(CH3)	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]H)(N[6]C[6]O)(O){1|O<1>,3|C<3>,3|H<1>}	O(N[6]C[6,6]C[6])(CH3)	111.6210	0.000	1	111.6210	0.000	1	111.6210	0.000	1	111.6210	0.000	1	107.6453	13.686	3	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6,6]	O	4:4:2:	3:4:3:1:	3:4:	C[6,6]-4:C[6]-4:O-2:	C[5a,6,6]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]CC)(OC)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]O)(H)	O(N[6]C[6,6]C[6])(CH3)	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]CC)(OC){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]O)(H){2|H<1>,3|C<3>,3|C<4>}	O(N[6]C[6,6]C[6])(CH3)	104.3040	0.000	1	104.3040	0.000	1	104.3040	0.000	1	104.3040	0.000	1	107.6453	13.686	3	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6,6]	O	4:4:2:	4:4:3:1:	3:1:	C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]O)(H)	O(N[6]C[6,6]C[6])(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(OH){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]O)(H){2|C<3>,2|C<4>,6|H<1>}	O(N[6]C[6,6]C[6])(H)	107.0110	0.000	1	107.0110	0.000	1	107.0110	0.000	1	107.0110	0.000	1	107.6453	13.686	3	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	3:4:2:	3:3:4:4:	3:1:	C[6]-3:C[6]-4:O-2:	N[6]-3:N[6]-3:C-4:C-4:	N[6]-3:H-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(OH)	C[6](N[6]C[6,6a]H)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(OH){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]O)(CH3)2{1|O<1>,2|C<3>}	O(N[6]C[6]2)(H)	112.5540	0.000	1	112.5540	0.000	1	112.5540	0.000	1	112.5540	0.000	1	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	3:4:2:	4:3:2:1:	3:4:	C[6]-3:C[6]-4:O-2:	C[6]-4:N[6]-3:O-2:H-1:	N[6]-3:C-4:	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OH)(H)	O(N[6]C[6]2)(CH3)	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OH)(H){1|O<1>,4|C<3>}	O(N[6]C[6]2)(CH3)	113.9680	0.000	1	113.9680	0.000	1	113.9680	0.000	1	113.9680	0.000	1	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:3:2:	3:3:3:1:	3:4:	C[6]-4:C[6]-3:O-2:	N[6]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-4:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(OC)	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]O)(H)	O(N[6]C[6]2)(CC[6a]HH)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O(N[6]C[6]2)(CC[6a]HH)	110.9120	0.000	1	110.9120	0.000	1	110.9120	0.000	1	110.9120	0.000	1	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:3:2:	3:3:3:2:	3:4:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6a]-3:N[6]-3:O-2:	N[6]-3:C-4:	N[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]O)(OC)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]O)(OH)	O(N[6]C[6]2)(CH3)	N[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]O)(OC){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]O)(OH){1|O<1>,2|H<1>,4|C<3>}	O(N[6]C[6]2)(CH3)	111.2870	0.000	1	111.2870	0.000	1	111.2870	0.000	1	111.2870	0.000	1	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:3:2:	3:3:4:1:	3:4:	C[6]-4:C[6]-3:O-2:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C-4:	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H)	O(N[6]C[6]2)(CC[6a]HH)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>}	O(N[6]C[6]2)(CC[6a]HH)	113.0380	0.000	1	113.0380	0.000	1	113.0380	0.000	1	110.4095	13.818	2	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:3:2:	3:3:4:1:	3:4:	C[6]-4:C[6]-3:O-2:	N[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C-4:	N[6](C[6]N[6]CH)(C[6]N[6]O)(OC)	C[6](N[6]C[5,6]H)(N[6]C[6]O)(CF3)(H)	O(N[6]C[6]2)(CC[6a]HH)	N[6](C[6]N[6]CH)(C[6]N[6]O)(OC){1|C<4>,1|H<1>,1|O<2>}	C[6](N[6]C[5,6]H)(N[6]C[6]O)(CF3)(H){1|N<3>,1|O<1>,2|C<3>}	O(N[6]C[6]2)(CC[6a]HH)	107.7810	0.000	1	107.7810	0.000	1	107.7810	0.000	1	110.4095	13.818	2	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	3:3:1:1:	3:4:	C[6]-4:C[6]-4:O-2:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)2	O(N[6]C[6]2)(CC[6a]HH)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(OC){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H)2{2|C<4>,2|H<1>}	O(N[6]C[6]2)(CC[6a]HH)	104.8820	1.718	2	104.8820	2.952	2	104.8820	2.952	2	104.8820	2.952	2	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-4:O-2:	C[5a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:H-1:	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH)	C[6](C[5a]C[5a]2)(C[6]O[6]O)(N[6]C[6]O)(H)	O(N[6]C[6]2)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5a]C[5a]2)(C[6]O[6]O)(N[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(N[6]C[6]2)(H)	104.4170	0.000	1	104.4170	0.000	1	104.5333	0.119	3	104.5238	0.080	4	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-4:O-2:	C[5a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:H-1:	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH)	C[6](C[5a]C[5a]N[5a])(C[6]O[6]O)(N[6]C[6]O)(H)	O(N[6]C[6]2)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]O[6]O)(N[6]C[6]O)(H){1|C<4>,3|C<3>,3|H<1>}	O(N[6]C[6]2)(H)	104.5915	0.466	2	104.5915	0.217	2	104.5333	0.119	3	104.5238	0.080	4	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	3:3:3:1:	3:1:	C[6]-4:C[6]-4:O-2:	C[6,6a]-3:N[6]-3:C-3:H-1:	N[6]-3:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CNO)(H)	O(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CNO)(H){1|C<4>,2|C<3>,3|H<1>}	O(N[6]C[6]2)(H)	104.4950	0.000	1	104.4950	0.000	1	104.4950	0.000	1	104.5238	0.080	4	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	3:3:3:4:	3:1:	C[6]-4:C[6]-4:O-2:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	N[6]-3:H-1:	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)(H)	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH){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]O)(CH3){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	O(N[6]C[6]2)(H)	108.4920	0.000	1	107.9505	0.586	2	107.9505	0.586	2	107.9505	0.586	2	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	3:3:3:4:	3:1:	C[6]-4:C[6]-4:O-2:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	N[6]-3:H-1:	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)(H)	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH){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]O)(CH3){2|C<4>,4|C<3>,4|H<1>}	O(N[6]C[6]2)(H)	107.4090	0.000	1	107.9505	0.586	2	107.9505	0.586	2	107.9505	0.586	2	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	3:3:4:1:	3:1:	C[6,6]-4:C[6]-4:O-2:	C[6a]-3:N[6]-3:C[6]-4:H-1:	N[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(OH)	C[6](C[6a]C[6a]2)(N[6]C[6,6]O)(C[6]C[6]HH)(H)	O(N[6]C[6,6]C[6])(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(OH){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	O(N[6]C[6,6]C[6])(H)	105.9210	0.000	1	105.9210	0.000	1	105.9210	0.000	1	105.9210	0.000	1	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	3:4:3:1:	3:1:	C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]O)(H)	O(N[6]C[6]2)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]O)(H){3|H<1>,4|C<3>}	O(N[6]C[6]2)(H)	106.3335	0.163	2	106.3257	0.014	3	105.8068	0.512	5	105.8068	0.512	5	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	3:4:3:1:	3:1:	C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]O)(H)	O(N[6]C[6]2)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]O)(H){3|H<1>,4|C<3>}	O(N[6]C[6]2)(H)	106.3100	0.000	1	106.3257	0.014	3	105.8068	0.512	5	105.8068	0.512	5	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	3:4:3:1:	3:1:	C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)2(OH)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]O)(H)	O(N[6]C[6]2)(H)	N[6](C[6]C[6a]C[6]H)2(OH){1|N<3>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]O)(H){1|C<4>,3|H<1>,4|C<3>}	O(N[6]C[6]2)(H)	105.0285	0.016	2	105.0285	0.000	2	105.8068	0.512	5	105.8068	0.512	5	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	3:4:4:1:	3:1:	C[5,6]-4:C[6]-4:O-2:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:H-1:	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)	O(N[6]C[5,6]C[6])(H)	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>}	O(N[6]C[5,6]C[6])(H)	106.0580	0.000	1	106.0580	0.000	1	106.0580	0.000	1	106.0580	0.000	1	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:1:1:	3:1:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(H)2	O(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(H)2{1|H<1>,3|C<3>}	O(N[6]C[6]2)(H)	106.9360	0.000	1	106.9360	0.000	1	106.9360	0.000	1	106.9360	0.000	1	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:1:1:	3:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:	N[6](C[6]C[6]HH)2(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(H)2	O(N[6]C[6]2)(CCHO)	N[6](C[6]C[6]HH)2(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(H)2{1|C<4>,4|H<1>}	O(N[6]C[6]2)(CCHO)	104.1202	1.166	4	104.1202	1.360	4	104.1202	1.360	4	104.1202	1.360	4	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:2:1:	3:1:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-2:H-1:	N[6]-3:H-1:	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH)	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CN)(H)	O(N[6]C[6]2)(H)	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CN)(H){1|C<4>,3|C<3>}	O(N[6]C[6]2)(H)	105.3200	0.000	1	105.3200	0.000	1	105.3200	0.000	1	105.3200	0.000	1	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:1:	3:1:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH)	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CH3)(H)	O(N[6]C[6]2)(H)	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CH3)(H){1|C<4>,3|C<3>}	O(N[6]C[6]2)(H)	106.1220	0.000	1	106.1220	0.000	1	106.1220	0.000	1	106.1220	0.000	1	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:1:	3:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-4:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO)(H)	O(N[6]C[6]2)(CC[6a]HH)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(OC){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO)(H){1|C<3>,3|H<1>}	O(N[6]C[6]2)(CC[6a]HH)	107.6280	0.939	2	107.6280	0.882	2	107.6280	0.882	2	107.6280	0.882	2	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	3:1:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:H-1:	N[6](C[6]C[6]CC)2(OH)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)(H)	N[6](C[6]C[6]CC)2(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	O(N[6]C[6]2)(H)	106.9735	0.262	15	106.9735	0.069	15	106.9735	0.069	15	106.9735	0.069	15	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	3:4:	C[6,6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-4:	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]CC)(OC)	C[6](C[6]C[5a,6]HH)(N[6]C[6,6]O)(CH3)2	O(N[6]C[6,6]C[6])(CH3)	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]CC)(OC){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6,6]O)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	O(N[6]C[6,6]C[6])(CH3)	107.0060	0.000	1	107.0060	0.000	1	107.0060	0.000	1	106.7158	0.658	59	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	3:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-4:	N[6](C[6]C[6]CC)2(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)(CCCH)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	O(N[6]C[6]2)(CCCH)	106.8262	0.558	12	106.8262	0.311	12	106.7554	0.609	52	106.7158	0.658	59	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	3:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-4:	N[6](C[6]C[6]CC)2(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)(CCHH)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	O(N[6]C[6]2)(CCHH)	106.6827	0.608	6	106.6827	0.369	6	106.7554	0.609	52	106.7158	0.658	59	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	3:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-4:	N[6](C[6]C[6]CC)2(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)(CC[5]CH)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	O(N[6]C[6]2)(CC[5]CH)	106.5975	2.157	2	106.5975	4.654	2	106.7554	0.609	52	106.7158	0.658	59	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	3:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-4:	N[6](C[6]C[6]CC)2(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)(CC[5]HH)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	O(N[6]C[6]2)(CC[5]HH)	106.8728	0.664	6	106.8728	0.441	6	106.7554	0.609	52	106.7158	0.658	59	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	3:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-4:	N[6](C[6]C[6]CC)2(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)(CC[5a]HH)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	O(N[6]C[6]2)(CC[5a]HH)	106.5325	0.927	4	106.5325	0.860	4	106.7554	0.609	52	106.7158	0.658	59	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	3:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-4:	N[6](C[6]C[6]CC)2(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)(CC[6a]CC)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	O(N[6]C[6]2)(CC[6a]CC)	106.1505	1.426	2	106.1505	2.034	2	106.7554	0.609	52	106.7158	0.658	59	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	3:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-4:	N[6](C[6]C[6]CC)2(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)(CC[6a]CH)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	O(N[6]C[6]2)(CC[6a]CH)	106.7720	0.912	14	106.7720	0.831	14	106.7554	0.609	52	106.7158	0.658	59	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	3:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-4:	N[6](C[6]C[6]CC)2(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)(CC[6a]HH)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	O(N[6]C[6]2)(CC[6a]HH)	106.9565	0.414	2	106.9565	0.171	2	106.7554	0.609	52	106.7158	0.658	59	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	3:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-4:	N[6](C[6]C[6]CC)2(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)(CC[6a]HN)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	O(N[6]C[6]2)(CC[6a]HN)	106.6120	0.414	2	106.6120	0.172	2	106.7554	0.609	52	106.7158	0.658	59	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	3:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-4:	N[6](C[6]C[6]CC)2(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)(CC[6a]HO)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	O(N[6]C[6]2)(CC[6a]HO)	107.2315	1.204	2	107.2315	1.450	2	106.7554	0.609	52	106.7158	0.658	59	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	3:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:P-4:	N[6](C[6]C[6]CC)2(OP)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)(PCFW)	N[6](C[6]C[6]CC)2(OP){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	O(N[6]C[6]2)(PCFW)	106.4745	1.367	4	106.4745	1.867	4	106.4745	1.867	4	106.7158	0.658	59	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	3:4:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:S-4:	N[6](C[6]C[6]CC)2(OS)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(N[6]C[6]2)(SO3)	N[6](C[6]C[6]CC)2(OS){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|O<1>,3|C<4>}	O(N[6]C[6]2)(SO3)	106.0225	0.315	2	106.0225	0.099	2	106.0225	0.099	2	106.7158	0.658	59	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	4:3:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	B[6a]-4:N[6]-3:	N[6](C[6]C[6]CC)2(OB[6a])	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(B[6a]C[5a,6a]N[5a,6a]C[6a])(N[6]C[6]2)	N[6](C[6]C[6]CC)2(OB[6a]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	O(B[6a]C[5a,6a]N[5a,6a]C[6a])(N[6]C[6]2)	107.0147	0.493	4	107.0147	0.243	4	107.0147	0.243	4	106.9103	0.785	22	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	4:3:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	C[5,6]-4:N[6]-3:	N[6](C[6]C[6]CC)2(OC[5,6])	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(C[5,6]C[5,5,6]C[5,6]H)(N[6]C[6]2)	N[6](C[6]C[6]CC)2(OC[5,6]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	O(C[5,6]C[5,5,6]C[5,6]H)(N[6]C[6]2)	106.2747	1.222	4	106.2747	1.494	4	106.2747	1.494	4	106.9103	0.785	22	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	4:3:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	C[5]-4:N[6]-3:	N[6](C[6]C[6]CC)2(OC[5])	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(C[5]C[5]2C)(N[6]C[6]2)	N[6](C[6]C[6]CC)2(OC[5]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	O(C[5]C[5]2C)(N[6]C[6]2)	106.6145	0.346	2	106.6145	0.120	2	106.5820	0.126	8	106.9103	0.785	22	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	4:3:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	C[5]-4:N[6]-3:	N[6](C[6]C[6]CC)2(OC[5])	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(C[5]C[5]2H)(N[6]C[6]2)	N[6](C[6]C[6]CC)2(OC[5]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	O(C[5]C[5]2H)(N[6]C[6]2)	106.5712	0.390	6	106.5712	0.152	6	106.5820	0.126	8	106.9103	0.785	22	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	4:3:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:	N[6](C[6]C[6]CC)2(OC[6])	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(C[6]C[5,6]C[6]H)(N[6]C[6]2)	N[6](C[6]C[6]CC)2(OC[6]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(N[6]C[6]2)	106.7665	0.094	2	106.7665	0.009	2	106.7665	0.009	2	106.9103	0.785	22	106.8039	2.389	126	106.9201	2.620	146
856	466	893	0:SP3_SP3_SP3	N[6]	C[6]	O	4:4:2:	4:3:4:4:	4:3:	C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	Ge[5]-4:N[6]-3:	N[6](C[6]C[6]CC)2(OGe[5])	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	O(Ge[5]C[5]2O)(N[6]C[6]2)	N[6](C[6]C[6]CC)2(OGe[5]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	O(Ge[5]C[5]2O)(N[6]C[6]2)	108.1700	0.703	4	108.1700	0.494	4	108.1700	0.494	4	106.9103	0.785	22	106.8039	2.389	126	106.9201	2.620	146
856	466	899	0:SP3_SP-NON_SP3	N[6]	C[6]	C	4:4:1:	3:4:3:1:	3:	C[6]-4:C[6]-4:C-1:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(C)	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)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(C){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)	110.7090	0.632	2	110.7090	0.400	2	110.7090	0.400	2	110.7090	0.400	2	111.3648	0.880	4	111.3648	0.880	4
856	466	899	0:SP3_SP-NON_SP3	N[6]	C[6]	C	4:4:1:	4:3:1:1:	3:	C[6]-4:C[6]-4:C-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(C){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)	112.0205	0.721	2	112.0205	0.519	2	112.0205	0.519	2	112.0205	0.519	2	111.3648	0.880	4	111.3648	0.880	4
856	466	904	6:SP2_SP-NON_SP3	N[6]	C[6]	P[6]	4:2:4:	4:3:1:1:	3:3:	C[6]-4:P[6]-2:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:	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	P[6](N[6]C[6]C)2	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>}	P[6](N[6]C[6]C)2{1|C<4>,4|H<1>}	121.3800	0.000	1	121.3800	0.000	1	121.3800	0.000	1	121.3800	0.000	1	121.3800	0.000	1	121.3800	0.000	1
856	466	904	6:SP3_SP-NON_SP3	N[6]	C[6]	P[6]	4:2:4:	4:3:1:1:	3:3:	C[6]-4:P[6]-2:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:	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	P[6](N[6]C[6]C)2	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>}	P[6](N[6]C[6]C)2{1|C<4>,4|H<1>}	121.7260	0.000	1	121.7260	0.000	1	121.7260	0.000	1	121.7260	0.000	1	121.7260	0.000	1	121.7260	0.000	1
856	466	909	0:SP2_SP2_SP3	N[6]	C[6]	S	4:4:2:	4:3:1:1:	3:3:	C[6]-4:C[6]-4:S-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:	N[6](C[6]C[6]HH)2(SC[6a])	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	S(C[6a]C[6a]2)(N[6]C[6]2)	N[6](C[6]C[6]HH)2(SC[6a]){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)	113.1135	2.345	2	113.1135	5.501	2	113.1135	5.501	2	113.1135	5.501	2	113.1135	5.501	2	113.1135	5.501	2
856	466	914	0:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:3:2:	3:4:4:1:	3:3:	C[6]-4:C[6]-3:N[6]-2:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6])	C[6](N[6]C[6]N[6])(C[6]C[6]HH)2(H)	N[6](C[6]C[6a]C[6])(N[6]C[6]2)	N[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6]){1|C<3>,3|C<4>,6|H<1>}	C[6](N[6]C[6]N[6])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]2){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	114.2920	0.000	1	114.2920	0.000	1	114.2920	0.000	1	114.2920	0.000	1	114.2920	0.000	1	114.2920	0.000	1
856	466	914	0:SP3_SP2_SP3	N[6,6]	C[6]	N[6]	3:4:2:	3:4:1:1:	3:3:	C[6,6]-3:C[6]-4:N[6]-2:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(N[6]C[6])	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2	N[6](N[6,6]C[6,6]C[6])(C[6]C[6a]C[6])	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|N<2>,3|C<3>}	N[6](N[6,6]C[6,6]C[6])(C[6]C[6a]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	112.4470	0.000	1	112.4470	0.000	1	112.4470	0.000	1	112.4470	0.000	1	110.4600	7.896	2	110.4600	7.896	2
856	466	914	0:SP3_SP2_SP3	N[6,6]	C[6]	N[6]	4:4:2:	3:4:2:2:	3:3:	C[6,6]-4:C[6]-4:N[6]-2:	N[6,6]-3:C[6]-4:C-2:C-2:	N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(N[6]C[6])	C[6](N[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(CN)2	N[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(N[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(CN)2{1|C<4>,3|H<1>,4|C<3>}	N[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H){1|H<1>,2|C<2>,2|C<3>,2|C<4>}	108.4730	0.000	1	108.4730	0.000	1	108.4730	0.000	1	108.4730	0.000	1	110.4600	7.896	2	110.4600	7.896	2
856	466	914	6:SP2_SP2_SP3	N[6]	C[6,6]	N[6]	4:3:2:	3:3:3:1:	3:3:	C[6,6]-4:C[6a]-3:N[6]-2:	N[6,6]-3:N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:	N[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	C[6,6](N[6,6]C[6,6]H)(N[6]C[6a]N[6])(C[6]N[6]C)(H)	N[6](N[6]C[6,6]C[6a])(C[6]C[6,6]C)	N[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6]H)(N[6]C[6a]N[6])(C[6]N[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](N[6]C[6,6]C[6a])(C[6]C[6,6]C){2|H<1>,2|N<3>,3|C<3>}	117.9407	0.218	6	117.9407	0.047	6	117.9407	0.047	6	117.9407	0.047	6	117.9407	0.047	6	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:4:2:	3:3:1:1:	3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6])	C[6](N[6]C[6a]N[6])2(H)2	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]N[6])2(H)2{5|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6]){1|N<3>,2|H<1>,4|C<3>}	117.3485	0.024	4	117.3485	0.001	4	117.3485	0.001	4	117.0420	0.470	5	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:4:2:	3:3:1:1:	3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6])	C[6](N[6]C[6a]N[6])2(H)2	N[6](N[6]C[6a]C[6])(C[6]C[6]N[6])	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]N[6])2(H)2{1|Pd<4>,5|C<3>}	N[6](N[6]C[6a]C[6])(C[6]C[6]N[6]){1|Pd<4>,2|H<1>,2|N<3>,3|C<3>}	115.8160	0.000	1	115.8160	0.000	1	115.8160	0.000	1	117.0420	0.470	5	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:4:2:	3:3:2:1:	3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:N[6]-3:O-2:H-1:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]N[6]HO)(N[6]C[6])	C[6](N[6]C[6a]N[6])2(OC)(H)	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])	N[6](C[6a]C[6a]N[6a])(C[6]N[6]HO)(N[6]C[6]){1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]C[6a]N[6])2(OC)(H){1|N<2>,5|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6]){1|H<1>,1|N<2>,1|N<3>,1|O<2>,4|C<3>}	120.7410	0.000	1	120.7410	0.000	1	120.7410	0.000	1	120.7410	0.000	1	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:4:2:	3:3:3:1:	3:3:	C[6a]-3:C[6]-4:N[6]-2:	C[6,6a]-3:N[6]-3:N-3:H-1:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]HN)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(NHN)(H)	N[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]HN)(N[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(NHN)(H){1|H<1>,1|N<2>,4|C<3>}	N[6](N[6]C[6a]C[6])(C[6]C[6,6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	124.1300	0.000	1	124.1300	0.000	1	124.1300	0.000	1	124.1300	0.000	1	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:4:2:	3:3:4:1:	3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6a]O[6])(N[6]C[6a]C[6])	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H){3|C<3>}	N[6](C[6]C[6a]O[6])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	118.3050	0.000	1	118.3050	0.000	1	118.3050	0.000	1	118.3050	0.000	1	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:4:2:	3:4:4:1:	3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H)	N[6](C[6]C[5a]C[6])(N[6]C[6a]C[6])	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,3|C<3>}	N[6](C[6]C[5a]C[6])(N[6]C[6a]C[6]){1|H<1>,1|S<2>,3|C<3>,4|C<4>}	119.5700	0.000	1	119.5700	0.000	1	119.5700	0.000	1	119.5700	0.000	1	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:2:1:	3:2:4:1:	3:3:	C[6]-4:N[6]-2:H-1:	N[6]-3:N[6]-2:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]CH)(N[6]C[6])(H)	C[6](N[6]N[6]H)(N[6]N[6])(CH3)(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]H)	N[6](C[6]N[6]CH)(N[6]C[6])(H){1|C<3>,1|N<2>}	C[6](N[6]N[6]H)(N[6]N[6])(CH3)(H){1|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.6950	0.000	1	117.6950	0.000	1	117.6950	0.000	1	117.6950	0.000	1	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:2:1:	3:3:4:4:	3:3:	C[6]-4:N[6]-2:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-3:N[6]-3:	N[6](C[6]N[6]CC)(N[6]C[6])(H)	C[6](N[6]C[6]O)(N[6]N[6]H)(CH3)2	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	N[6](C[6]N[6]CC)(N[6]C[6])(H){1|O<1>,2|C<3>}	C[6](N[6]C[6]O)(N[6]N[6]H)(CH3)2{1|C<3>,1|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.3283	0.616	3	120.3283	0.379	3	120.3283	0.379	3	120.3283	0.379	3	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:2:1:	3:4:3:1:	3:3:	C[6]-4:N[6]-2:H-1:	C[6]-3:C[5]-4:N[6]-3:H-1:	C[6,6]-3:N[6]-3:	N[6](C[6]C[5]C[6]H)(N[6]C[6,6])(H)	C[6](C[6]N[6,6]N)(C[5]C[5]2H)(N[6]N[6]H)(H)	N[6](C[6,6]N[6,6]C[6])(N[6]C[6]H)	N[6](C[6]C[5]C[6]H)(N[6]C[6,6])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[6](C[6]N[6,6]N)(C[5]C[5]2H)(N[6]N[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6]N[6,6]C[6])(N[6]C[6]H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	114.8940	0.000	1	114.8940	0.000	1	114.8940	0.000	1	114.8940	0.000	1	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:2:1:	4:3:3:1:	3:3:	C[6]-4:N[6]-2:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]CH)(N[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]H)(COO)(H)	N[6](C[6]C[6a]O[6])(N[6]C[6]H)	N[6](C[6]C[6]CH)(N[6]C[6])(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]O[6]H)(N[6]N[6]H)(COO)(H){3|C<3>}	N[6](C[6]C[6a]O[6])(N[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	115.8130	0.000	1	115.8130	0.000	1	115.8130	0.000	1	115.8130	0.000	1	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:2:3:	3:2:4:1:	3:3:	C[6]-4:N[6]-2:C-3:	N[6]-3:N[6]-2:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]CH)(N[6]C[6])(CCO)	C[6](N[6]N[6]C)(N[6]N[6])(CH3)(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	N[6](C[6]N[6]CH)(N[6]C[6])(CCO){1|C<3>,1|N<2>}	C[6](N[6]N[6]C)(N[6]N[6])(CH3)(H){1|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.1295	0.108	2	118.1295	0.012	2	118.1295	0.012	2	118.1295	0.012	2	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:2:3:	3:3:2:1:	3:3:	C[6]-4:N[6]-2:C-3:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]HO)(N[6]C[6])(CC[6a]O)	C[6](C[6]C[6]C)(N[6]N[6]C)(OC)(H)	N[6](C[6]C[6a]C[6])(N[6]C[6]C)	N[6](C[6]C[6]HO)(N[6]C[6])(CC[6a]O){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]N[6]C)(OC)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]C){1|O<2>,3|C<3>,3|H<1>}	119.5220	0.000	1	119.5220	0.000	1	119.5220	0.000	1	119.5220	0.000	1	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:2:3:	3:3:3:1:	3:3:	C[6]-4:N[6]-2:C-3:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6,6a]HN)(N[6]C[6])(CCC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(NCN)(H)	N[6](C[6]C[6,6a]H)(N[6]C[6]C)	N[6](C[6]C[6,6a]HN)(N[6]C[6])(CCC){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(NCN)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,2|C<3>}	126.9920	0.000	1	126.9920	0.000	1	126.9920	0.000	1	124.0175	17.695	2	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:2:3:	3:3:3:1:	3:3:	C[6]-4:N[6]-2:C-3:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6]H)(N[6]C[6])(CCO)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6]C)(H)	N[6](C[6]C[6a]C[6])(N[6]C[6]C)	N[6](C[6]C[6a]N[6]H)(N[6]C[6])(CCO){2|C<4>,3|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>}	N[6](C[6]C[6a]C[6])(N[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	121.0430	0.000	1	121.0430	0.000	1	121.0430	0.000	1	124.0175	17.695	2	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:2:3:	3:4:3:1:	3:3:	C[6]-4:N[6]-2:C-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6,6a]C[5]H)(N[6]C[6])(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]N[6]C)(H)	N[6](C[6]C[6,6a]H)(N[6]C[6]C)	N[6](C[6]C[6,6a]C[5]H)(N[6]C[6])(CCO){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]N[6]C)(H){2|H<1>,5|C<3>}	N[6](C[6]C[6,6a]H)(N[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	122.8130	0.000	1	122.8130	0.000	1	122.8130	0.000	1	123.4885	0.913	2	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:2:3:	3:4:3:1:	3:3:	C[6]-4:N[6]-2:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(N[6]C[6])(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H)	N[6](C[6]C[6a]C[6])(N[6]C[6]C)	N[6](C[6]C[6a]C[6]H)(N[6]C[6])(CCO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H){3|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	124.1640	0.000	1	124.1640	0.000	1	124.1640	0.000	1	123.4885	0.913	2	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:2:3:	4:3:1:1:	3:3:	C[6]-4:N[6]-2:C-3:	Si[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:	N[6](C[6]Si[6]HH)(N[6]C[6])(CCC)	C[6](Si[6]O[6]CC)(N[6]N[6]C)(H)2	N[6](C[6]C[6a]O[6])(N[6]C[6]C)	N[6](C[6]Si[6]HH)(N[6]C[6])(CCC){1|C<3>,1|O<2>,2|C<4>}	C[6](Si[6]O[6]CC)(N[6]N[6]C)(H)2{1|C<3>}	N[6](C[6]C[6a]O[6])(N[6]C[6]C){1|Si<4>,2|C<3>,2|H<1>}	116.9010	0.000	1	116.9010	0.000	1	116.9010	0.000	1	116.9010	0.000	1	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:2:3:	4:3:2:1:	3:3:	C[6]-4:N[6]-2:C-3:	C[5,6]-4:N[6]-3:O-2:H-1:	C[5,6]-3:N[6]-3:	N[6](C[6]C[5,6]HO)(N[6]C[5,6])(CCO)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]N[6]C)(OC)(H)	N[6](C[5,6]C[5,5,6]N[5])(N[6]C[6]C)	N[6](C[6]C[5,6]HO)(N[6]C[5,6])(CCO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]N[6]C)(OC)(H){1|N<3>,4|C<3>}	N[6](C[5,6]C[5,5,6]N[5])(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	120.0550	0.000	1	120.0550	0.000	1	120.0550	0.000	1	120.6910	0.809	2	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:2:3:	4:3:2:1:	3:3:	C[6]-4:N[6]-2:C-3:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]HO)(N[6]C[6])(CC[6a]O)	C[6](C[6]C[6]HH)(N[6]N[6]C)(OC)(H)	N[6](C[6]C[6a]C[6])(N[6]C[6]C)	N[6](C[6]C[6]HO)(N[6]C[6])(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]C)(OC)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.3270	0.000	1	121.3270	0.000	1	121.3270	0.000	1	120.6910	0.809	2	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:2:3:	4:3:3:1:	3:3:	C[6]-4:N[6]-2:C-3:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]2H)(N[6]C[6])(CCO)	C[6](C[6]C[6]2H)(C[6]N[6]O)(N[6]N[6]C)(H)	N[6](C[6]N[6]S)(N[6]C[6]C)	N[6](C[6]C[6]2H)(N[6]C[6])(CCO){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]C[6]2H)(C[6]N[6]O)(N[6]N[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]N[6]S)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	118.7730	0.000	1	118.7730	0.000	1	118.7730	0.000	1	118.7730	0.000	1	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:2:3:	4:3:3:2:	3:3:	C[6]-4:N[6]-2:C-3:	C[6]-4:N[6]-3:C-3:O-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6]CO)(N[6]C[6])(CC[6a]O)	C[6](C[6]C[6]HH)(N[6]N[6]C)(CCN)(OSi)	N[6](C[6]C[6a]C[6])(N[6]C[6]C)	N[6](C[6]C[6]CO)(N[6]C[6])(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]C)(CCN)(OSi){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]C){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	123.5090	0.102	2	123.5090	0.010	2	123.5090	0.010	2	123.5090	0.010	2	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:2:3:	4:3:3:3:	3:3:	C[6]-4:N[6]-2:C-3:	C[6]-4:N[6]-3:C-3:N-3:	C[6]-3:N[6]-3:	N[6](C[6]C[6]CN)(N[6]C[6])(CNO)	C[6](C[6]C[6]HH)(N[6]N[6]C)(COO)(NCH)	N[6](C[6]C[6]C)(N[6]C[6]C)	N[6](C[6]C[6]CN)(N[6]C[6])(CNO){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]C)(COO)(NCH){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.6030	0.000	1	125.6030	0.000	1	125.6030	0.000	1	125.6030	0.000	1	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:2:3:	4:3:4:1:	3:3:	C[6]-4:N[6]-2:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]CH)(N[6]C[6])(CC[6a]O)	C[6](C[6]C[6]HO)(N[6]N[6]C)(CCHH)(H)	N[6](C[6]C[6a]C[6])(N[6]C[6]C)	N[6](C[6]C[6]CH)(N[6]C[6])(CC[6a]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(N[6]N[6]C)(CCHH)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	120.5530	0.000	1	120.5530	0.000	1	120.5530	0.000	1	120.5530	0.000	1	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:3:2:	3:3:3:1:	3:3:	C[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]O[6]O)(H)	N[6](C[6]C[6a]O[6])(N[6]C[6a]C[6])	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,5|C<3>}	N[6](C[6]C[6a]O[6])(N[6]C[6a]C[6]){1|H<1>,6|C<3>}	118.1540	0.000	1	118.1540	0.000	1	118.1540	0.000	1	118.1540	0.000	1	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:3:2:	3:3:4:1:	3:3:	C[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|H<1>,5|C<3>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,7|C<3>}	N[6](C[6]C[6a]C[6])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,7|C<3>}	122.9715	0.091	2	122.9715	0.008	2	122.7263	0.184	3	122.3123	0.809	4	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:3:2:	3:3:4:1:	3:3:	C[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,4|H<1>,5|C<3>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	122.2360	0.000	1	122.2360	0.000	1	122.7263	0.184	3	122.3123	0.809	4	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:3:2:	3:3:4:1:	3:3:	C[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](N[6]C[6a]C[6])(C[6]C[6]H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	N[6](N[6]C[6a]C[6])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	121.0700	0.000	1	121.0700	0.000	1	121.0700	0.000	1	122.3123	0.809	4	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:4:2:	3:3:3:1:	2:3:	C[6]-4:C-4:N[6]-2:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	N[6]-2:N[6]-3:	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)	N[6](N[6]C[5a,6])(N[6]C[6]C)	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>}	N[6](N[6]C[5a,6])(N[6]C[6]C){1|H<1>,3|C<3>}	126.4540	0.000	1	126.4540	0.000	1	126.4540	0.000	1	126.4540	0.000	1	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:4:2:	3:3:3:1:	3:2:	C[6]-4:C-4:N[6]-2:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:	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)	N[6](N[6]C[6]C)(N[6]C[6])	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>}	N[6](N[6]C[6]C)(N[6]C[6]){1|H<1>,3|C<3>}	125.3710	0.000	1	125.3710	0.000	1	125.3710	0.000	1	125.3710	0.000	1	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:4:2:	3:4:3:1:	3:2:	C[6]-4:C-4:N[6]-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-2:	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)	N[6](N[6]C[6]C)(N[6]C[6])	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>}	N[6](N[6]C[6]C)(N[6]C[6]){1|C<4>,1|H<1>,3|C<3>}	125.4380	0.000	1	125.4380	0.000	1	125.4380	0.000	1	125.4380	0.000	1	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:4:2:	4:3:4:1:	3:3:	C[6]-4:S-4:N[6]-2:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]CH)(SC[6a]OO)(N[6]C[6])	C[6](C[6]C[6]HH)(N[6]N[6]S)(CC[6a]HH)(H)	N[6](C[6]C[6a]C[6])(N[6]C[6]S)	N[6](C[6]C[6]CH)(SC[6a]OO)(N[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]S)(CC[6a]HH)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]S){2|C<3>,2|C<4>,3|H<1>}	121.5910	0.000	1	121.5910	0.000	1	121.5910	0.000	1	121.5910	0.000	1	120.6314	10.059	39	120.2726	9.548	45
856	466	914	6:SP3_SP2_SP3	N[6,6]	C[6,6]	N[6]	4:4:2:	3:3:4:1:	3:3:	C[6,6]-4:C[6]-4:N[6]-2:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(N[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(C[6]C[6]CC)(H)	N[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(N[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(C[6]C[6]CC)(H){1|C<4>,2|C<2>,3|C<3>,3|H<1>}	N[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H){1|H<1>,2|C<2>,2|C<3>,2|C<4>}	117.3630	0.000	1	117.3630	0.000	1	117.3630	0.000	1	117.3630	0.000	1	117.3630	0.000	1	117.3438	5.918	18
856	466	914	6:SP3_SP2_SP3	N[6]	C[6,6]	N[6]	4:2:4:	4:4:3:2:	3:3:	C[6,6]-4:N[6]-2:C-4:	C[6,6]-4:C[6]-4:N[6]-3:O-2:	C[6]-3:N[6]-3:	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)	N[6](C[6]C[6,6]C[6a])(N[6]C[6,6]C)	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>}	N[6](C[6]C[6,6]C[6a])(N[6]C[6,6]C){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.8360	0.000	1	119.8360	0.000	1	119.8360	0.000	1	119.8360	0.000	1	116.9395	16.779	2	117.3438	5.918	18
856	466	914	6:SP3_SP2_SP3	N[6]	C[6,6]	N[6]	4:3:2:	4:3:4:1:	3:3:	C[6,6]-4:C[6a]-3:N[6]-2:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	C[6,6](C[6,6]C[6a]C[6]N[6])(N[6]C[6a]N[6])(C[6]C[6]HH)(H)	N[6](N[6]C[6,6]C[6a])(C[6]C[6a]N[6])	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,4|H<1>,6|C<3>}	C[6,6](C[6,6]C[6a]C[6]N[6])(N[6]C[6a]N[6])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|S<4>,6|C<3>}	N[6](N[6]C[6,6]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	114.0430	0.000	1	114.0430	0.000	1	114.0430	0.000	1	114.0430	0.000	1	116.9395	16.779	2	117.3438	5.918	18
856	466	914	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	3:4:2:	3:3:1:1:	3:4:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)2	N[6](N[6]C[6a]C[6])(C[6]C[6]HN)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[6](N[6]C[6a]C[6])(C[6]C[6]HN){1|N<2>,2|C<3>,3|H<1>}	113.8150	0.000	1	113.8150	0.000	1	113.8150	0.000	1	113.8150	0.000	1	117.3964	5.961	15	117.3438	5.918	18
856	466	914	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	3:4:2:	3:3:4:1:	3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H)	N[6](C[6]C[3x6]O[6])(N[6]C[6a]C[6])	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H){3|C<3>}	N[6](C[6]C[3x6]O[6])(N[6]C[6a]C[6]){1|H<1>,3|C<3>,4|C<4>}	114.7950	0.000	1	114.7950	0.000	1	116.5710	2.777	3	116.5710	2.777	3	117.3964	5.961	15	117.3438	5.918	18
856	466	914	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	3:4:2:	3:3:4:1:	3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6a]O[6])(N[6]C[6a]C[6])	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H){3|C<3>}	N[6](C[6]C[6a]O[6])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	118.1000	0.000	1	118.1000	0.000	1	116.5710	2.777	3	116.5710	2.777	3	117.3964	5.961	15	117.3438	5.918	18
856	466	914	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	3:4:2:	3:3:4:1:	3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6]O[6]O)(CC[6a]HH)(H)	N[6](C[6]C[6a]O[6])(N[6]C[6a]C[6])	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]N[6])(C[6]O[6]O)(CC[6a]HH)(H){3|C<3>}	N[6](C[6]C[6a]O[6])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	116.8180	0.000	1	116.8180	0.000	1	116.5710	2.777	3	116.5710	2.777	3	117.3964	5.961	15	117.3438	5.918	18
856	466	914	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	3:4:2:	3:4:4:1:	3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H)	N[6](N[6]C[6a]C[6])(C[6]C[6]C)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,3|C<3>}	N[6](N[6]C[6a]C[6])(C[6]C[6]C){1|H<1>,2|C<3>,4|C<4>}	117.9270	0.000	1	117.9270	0.000	1	117.9270	0.000	1	117.9270	0.000	1	117.3964	5.961	15	117.3438	5.918	18
856	466	914	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:2:1:	3:3:4:4:	3:3:	C[6]-4:N[6]-2:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-3:N[6]-3:	N[6](C[6]N[6]CC)(N[6]C[6])(H)	C[6](N[6]C[6]O)(N[6]N[6]H)(CH3)2	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	N[6](C[6]N[6]CC)(N[6]C[6])(H){1|O<1>,2|C<3>}	C[6](N[6]C[6]O)(N[6]N[6]H)(CH3)2{1|C<3>,1|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.5830	0.000	1	119.5830	0.000	1	119.5830	0.000	1	119.5830	0.000	1	117.3964	5.961	15	117.3438	5.918	18
856	466	914	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:2:1:	4:3:4:4:	3:3:	C[6]-4:N[6]-2:H-1:	Si[6,6]-4:N[6]-3:C-4:C-4:	C[6]-3:N[6]-3:	N[6](C[6]Si[6,6]CC)(N[6]C[6])(H)	C[6](Si[6,6]C[6]N[6]2)(N[6]N[6]H)(CH3)2	N[6](C[6]C[6]C)(N[6]C[6]H)	N[6](C[6]Si[6,6]CC)(N[6]C[6])(H){2|C<4>,2|N<3>}	C[6](Si[6,6]C[6]N[6]2)(N[6]N[6]H)(CH3)2{2|H<1>,5|C<3>}	N[6](C[6]C[6]C)(N[6]C[6]H){1|Si<4>,2|C<4>,2|H<1>}	119.0260	0.000	1	119.0260	0.000	1	119.0260	0.000	1	119.0260	0.000	1	117.3964	5.961	15	117.3438	5.918	18
856	466	914	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:2:4:	3:3:4:1:	3:3:	C[6]-4:N[6]-2:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:	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)	N[6](C[6]C[6,6a]H)(N[6]C[6]C)	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>}	N[6](C[6]C[6,6a]H)(N[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	117.1780	0.000	1	117.1780	0.000	1	117.1780	0.000	1	117.1780	0.000	1	117.3964	5.961	15	117.3438	5.918	18
856	466	914	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:2:4:	4:3:1:1:	3:3:	C[6]-4:N[6]-2:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:	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	N[6](C[6]C[6a]O[6])(N[6]C[6]C)	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>}	N[6](C[6]C[6a]O[6])(N[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	112.4790	0.000	1	112.4790	0.000	1	112.4790	0.000	1	112.4790	0.000	1	117.3964	5.961	15	117.3438	5.918	18
856	466	914	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:3:2:	3:3:4:4:	3:3:	C[6]-4:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C-4:C-4:	N[6]-3:C[6]-3:	N[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(CCHH)2	N[6](N[6]C[6a]C[6])(C[6]C[6,6a]C)	N[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(CCHH)2{1|H<1>,5|C<3>}	N[6](N[6]C[6a]C[6])(C[6]C[6,6a]C){2|C<4>,4|C<3>}	117.3925	0.392	2	117.3925	0.154	2	117.3925	0.154	2	117.3925	0.154	2	117.3964	5.961	15	117.3438	5.918	18
856	466	914	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:4:2:	3:3:1:1:	3:3:	C[6]-4:S-4:N[6]-2:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]HH)(SC[6a]OO)(N[6]C[6])	C[6](C[6]C[6]C)(N[6]N[6]S)(H)2	N[6](C[6]C[6]C)(N[6]C[6]S)	N[6](C[6]C[6]HH)(SC[6a]OO)(N[6]C[6]){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]N[6]S)(H)2{1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(N[6]C[6]S){1|C<3>,3|H<1>}	118.9550	0.000	1	118.9550	0.000	1	117.3320	5.268	2	117.3320	5.268	2	117.3964	5.961	15	117.3438	5.918	18
856	466	914	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:4:2:	3:3:1:1:	3:3:	C[6]-4:S-4:N[6]-2:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]HH)(SC[6a]OO)(N[6]C[6])	C[6](C[6]C[6]C)(N[6]N[6]S)(H)2	N[6](C[6]C[6a]C[6])(N[6]C[6]S)	N[6](C[6]C[6]HH)(SC[6a]OO)(N[6]C[6]){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]N[6]S)(H)2{1|C<3>,1|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]S){3|C<3>,3|H<1>}	115.7090	0.000	1	115.7090	0.000	1	117.3320	5.268	2	117.3320	5.268	2	117.3964	5.961	15	117.3438	5.918	18
856	466	914	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:4:2:	3:3:4:1:	3:3:	C[6]-4:S-4:N[6]-2:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(SC[6a]OO)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]S)(CCHH)(H)	N[6](C[6]C[6,6a]C[6a])(N[6]C[6]S)	N[6](C[6]C[6,6a]CH)(SC[6a]OO)(N[6]C[6]){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]S)(CCHH)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a])(N[6]C[6]S){1|C<4>,1|H<1>,4|C<3>}	120.0910	0.000	1	120.0910	0.000	1	120.0910	0.000	1	120.0910	0.000	1	117.3964	5.961	15	117.3438	5.918	18
856	466	914	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:4:2:	4:3:2:1:	3:3:	C[6]-4:S-4:N[6]-2:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]HO)(SC[6a]OO)(N[6]C[6])	C[6](C[6]C[6]HH)(N[6]N[6]S)(OH)(H)	N[6](C[6]C[6]C)(N[6]C[6]S)	N[6](C[6]C[6]HO)(SC[6a]OO)(N[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]S)(OH)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(N[6]C[6]S){1|C<4>,1|O<2>,3|H<1>}	121.6850	0.000	1	121.6850	0.000	1	121.6850	0.000	1	121.6850	0.000	1	117.3964	5.961	15	117.3438	5.918	18
856	466	916	6:SP3_SP3_SP3	N[6]	C[6]	O[5,6]	3:4:4:	4:3:1:1:	5:4:3:	O[5,6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	In[5,5,6,6]-5:Ga[5]-4:N[6]-3:	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	O[5,6](In[5,5,6,6]N[5,6]2O[5,6]C)(Ga[5]O[5]CC)(N[6]C[6]C)	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>}	O[5,6](In[5,5,6,6]N[5,6]2O[5,6]C)(Ga[5]O[5]CC)(N[6]C[6]C){1|Ga<4>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	106.9995	2.197	2	106.9995	4.827	2	106.9995	4.827	2	106.9995	4.827	2	106.9995	4.827	2	106.9995	4.827	2
856	466	917	0:SP2_SP3_SP3	N[6]	C[6]	P[4]	4:4:4:	3:4:1:1:	3:3:3:1:	P[4]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[4]-3:N[4]-3:N[6]-3:Se-1:	N[6](P[4]N[4]2Se)(C[6]C[6]HH)2	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	P[4](N[4]P[4]C)2(N[6]C[6]2)(Se)	N[6](P[4]N[4]2Se)(C[6]C[6]HH)2{1|N<4>,1|P<4>,2|C<4>,4|H<1>}	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Se<1>,2|H<1>,2|N<3>,3|C<4>}	P[4](N[4]P[4]C)2(N[6]C[6]2)(Se){1|Se<1>,1|N<3>,2|C<4>,4|H<1>}	122.4912	1.779	6	122.4912	3.166	6	122.4912	3.166	6	122.4912	3.166	6	122.4912	3.166	6	122.4912	3.166	6
856	466	917	0:SP3_SP3_SP3	N[6]	C[6]	P[4]	4:4:4:	3:4:1:1:	3:3:3:1:	P[4]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[4]-3:N[4]-3:N[6]-3:Se-1:	N[6](P[4]N[4]2Se)(C[6]C[6]HH)2	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	P[4](N[4]P[4]C)2(N[6]C[6]2)(Se)	N[6](P[4]N[4]2Se)(C[6]C[6]HH)2{1|N<4>,1|P<4>,2|C<4>,4|H<1>}	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Se<1>,2|H<1>,2|N<3>,3|C<4>}	P[4](N[4]P[4]C)2(N[6]C[6]2)(Se){1|Se<1>,1|N<3>,2|C<4>,4|H<1>}	120.6450	1.556	2	120.6450	2.420	2	120.6450	2.420	2	120.6450	2.420	2	120.6450	2.420	2	120.6450	2.420	2
856	466	922	0:SP3_SP3_SP3	N[6,6]	C[6]	S[6]	4:4:3:	3:4:1:1:	3:2:1:	C[6,6]-4:C[6]-4:S[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:O[6]-2:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2	S[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	S[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,2|C<4>,5|H<1>}	115.1470	0.000	1	113.3347	2.851	3	113.3347	2.851	3	113.3347	2.851	3	113.3347	2.851	3	113.3347	2.851	3
856	466	922	0:SP3_SP3_SP3	N[6,6]	C[6]	S[6]	4:4:3:	3:4:1:1:	3:2:1:	C[6,6]-4:C[6]-4:S[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:O[6]-2:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2	S[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	S[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,2|C<4>,5|H<1>}	112.4285	0.880	2	113.3347	2.851	3	113.3347	2.851	3	113.3347	2.851	3	113.3347	2.851	3	113.3347	2.851	3
856	466	922	6:SP2_SP3_SP3	N[6]	C[6]	S[6]	4:3:3:	3:3:4:1:	4:3:1:	C[6]-4:S[6]-3:C-3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(S[6]C[6]O)(COO)	C[6](C[6]C[6]H)(N[6]S[6]C)(CH3)(H)	S[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(S[6]C[6]O)(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]S[6]C)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	S[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	121.0130	0.000	1	121.0130	0.000	1	121.0130	0.000	1	121.0130	0.000	1	121.0130	0.000	1	121.0130	0.000	1
856	466	922	6:SP3_SP3_SP3	N[6,6]	C[6,6]	S[6]	4:4:3:	3:3:4:1:	3:2:1:	C[6,6]-4:C[6]-4:S[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:O[6]-2:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]CH)(H)	S[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	S[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,2|C<4>,5|H<1>}	114.7100	0.182	2	114.7100	0.033	2	114.8040	0.043	3	114.8040	0.043	3	114.8040	0.043	3	119.0408	22.769	6
856	466	922	6:SP3_SP3_SP3	N[6,6]	C[6,6]	S[6]	4:4:3:	3:3:4:1:	3:2:1:	C[6,6]-4:C[6]-4:S[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:O[6]-2:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H)	S[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	S[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,2|C<4>,5|H<1>}	114.9920	0.000	1	114.9920	0.000	1	114.8040	0.043	3	114.8040	0.043	3	114.8040	0.043	3	119.0408	22.769	6
856	466	922	6:SP3_SP3_SP3	N[6]	C[6]	S[6]	3:4:4:	4:3:3:1:	3:3:2:	S[6]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:N-3:H-1:	C[6,6a]-3:N[6]-3:N-2:	N[6](S[6]C[6,6a]N)(C[6]C[6]HN)(SC[6a]OO)	C[6](C[6]C[6,6a]Cl2)(N[6]S[6]S)(NHS)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NS)	N[6](S[6]C[6,6a]N)(C[6]C[6]HN)(SC[6a]OO){2|Cl<1>,2|C<3>}	C[6](C[6]C[6,6a]Cl2)(N[6]S[6]S)(NHS)(H){1|N<2>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NS){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	125.0320	0.000	1	125.0320	0.000	1	125.0320	0.000	1	125.0320	0.000	1	123.2777	3.028	3	119.0408	22.769	6
856	466	922	6:SP3_SP3_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:S[6]-3:S-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(S[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H)	S[6](C[6]C[6]CH)(N[6]C[6]S)(O)	N[6](C[6]C[6]CH)(S[6]C[6]O)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	S[6](C[6]C[6]CH)(N[6]C[6]S)(O){1|C<3>,1|C<4>,2|H<1>}	123.2490	0.000	1	123.2490	0.000	1	122.4005	1.440	2	122.4005	1.440	2	123.2777	3.028	3	119.0408	22.769	6
856	466	922	6:SP3_SP3_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:S[6]-3:S-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(S[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H)	S[6](C[6]C[6]HH)(N[6]C[6]S)(O)	N[6](C[6]C[6]CH)(S[6]C[6]O)(SC[6a]OO){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	S[6](C[6]C[6]HH)(N[6]C[6]S)(O){1|C<3>,1|C<4>,2|H<1>}	121.5520	0.000	1	121.5520	0.000	1	122.4005	1.440	2	122.4005	1.440	2	123.2777	3.028	3	119.0408	22.769	6
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C	4:2:3:	4:3:3:1:	3:2:1:	C[3x6]-4:O[6,6]-2:C-3:	C[3,6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(COO)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]Cl)(N[6,6]O[6,6]C)(H)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(COO){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]Cl)(N[6,6]O[6,6]C)(H){1|C<4>,1|O<1>,3|H<1>}	C(N[6,6]C[3x6]O[6,6])(OC)(O)	117.3020	0.000	1	117.3020	0.000	1	117.3020	0.000	1	117.2867	0.012	3	121.7920	6.711	30	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C	4:2:3:	4:3:3:1:	3:2:1:	C[3x6]-4:O[6,6]-2:C-3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H){1|C<4>,1|H<1>,1|N<2>}	C(N[6,6]C[3x6]O[6,6])(OC)(O)	117.1700	0.000	1	117.1700	0.000	1	117.2790	0.024	2	117.2867	0.012	3	121.7920	6.711	30	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C	4:2:3:	4:3:3:1:	3:2:1:	C[3x6]-4:O[6,6]-2:C-3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO)	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO){2|C<3>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H){1|C<4>,1|H<1>,1|O<1>}	C(N[6,6]C[3x6]O[6,6])(OC)(O)	117.3880	0.000	1	117.3880	0.000	1	117.2790	0.024	2	117.2867	0.012	3	121.7920	6.711	30	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C	4:2:3:	4:3:3:1:	3:3:1:	C[3x6]-4:O[6,6]-2:C-3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6a]-3:O-1:	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CC[6a]O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H)	C(N[6,6]C[3x6]O[6,6])(C[6a]C[6a]2)(O)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CC[6a]O){1|C<3>,1|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H){1|C<4>,3|H<1>}	C(N[6,6]C[3x6]O[6,6])(C[6a]C[6a]2)(O)	119.3320	0.000	1	119.3320	0.000	1	119.3320	0.000	1	119.3320	0.000	1	121.7920	6.711	30	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C	4:2:3:	4:3:3:4:	3:2:1:	C[3x6]-4:O[6,6]-2:C-3:	C[3,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[3,6,6]C[6,6]C)(O[6,6]C[3x6])(COO)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(CHHO)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[3,6,6]C[6,6]C)(O[6,6]C[3x6])(COO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(CHHO){1|C<4>,1|O<1>,3|H<1>}	C(N[6,6]C[3x6]O[6,6])(OC)(O)	118.4620	0.000	1	118.4620	0.000	1	118.4620	0.000	1	118.4620	0.000	1	121.7920	6.711	30	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C	4:4:3:	3:2:2:1:	3:1:1:	C[3x6]-4:C[3x6]-4:C-3:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	N[6,6]-3:H-1:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H)	C(N[6,6]C[3x6]2)(H)(O)	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO){1|O<2>,2|C<4>,3|H<1>}	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H){2|H<1>,4|C<4>}	C(N[6,6]C[3x6]2)(H)(O)	123.0307	0.226	3	123.0307	0.051	3	122.6058	0.822	5	122.6058	0.822	5	121.7920	6.711	30	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C	4:4:3:	3:2:2:1:	3:1:1:	C[3x6]-4:C[3x6]-4:C-3:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	N[6,6]-3:H-1:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H)	C(N[6,6]C[3x6]2)(H)(O)	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO){1|O<2>,2|C<4>,3|H<1>}	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H){2|H<1>,4|C<4>}	C(N[6,6]C[3x6]2)(H)(O)	121.9685	1.354	2	121.9685	1.834	2	122.6058	0.822	5	122.6058	0.822	5	121.7920	6.711	30	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C	4:4:3:	3:3:3:1:	3:2:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-3:C[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[3x6]C[6,6])(OC[6a])(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(N[6,6]C[6,6]C)(H){1|C<4>,5|H<1>}	C(N[6,6]C[3x6]C[6,6])(OC[6a])(O)	119.5810	0.318	2	119.5810	0.101	2	119.5810	0.101	2	119.5810	0.101	2	121.7920	6.711	30	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C	4:4:3:	3:4:3:1:	3:2:1:	C[3x6]-4:C[3x6]-4:C-3:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6]C)(COO)	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)(OC)(O)	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6]C)(COO){1|C<4>,3|C<3>,5|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|H<1>,2|C<3>,5|C<4>}	C(N[6,6]C[3x6]2)(OC)(O)	123.6440	0.000	1	123.6440	0.000	1	123.6440	0.000	1	123.6440	0.000	1	121.7920	6.711	30	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C	4:4:3:	4:3:3:1:	3:2:1:	C[3x6]-4:C[6,6]-4:C-3:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(COO)	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[3x6]C[6,6])(OC[6a])(O)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(COO){1|C<4>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C(N[6,6]C[3x6]C[6,6])(OC[6a])(O)	125.1560	0.000	1	125.1560	0.000	1	125.1560	0.000	1	122.1218	4.472	4	121.7920	6.711	30	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C	4:4:3:	4:3:3:1:	3:2:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[3x6]C[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H){2|C<4>,4|H<1>}	C(N[6,6]C[3x6]C[6,6])(OC)(O)	121.9010	0.000	1	121.9010	0.000	1	121.1103	0.570	3	122.1218	4.472	4	121.7920	6.711	30	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C	4:4:3:	4:3:3:1:	3:2:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[3x6]C[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<4>,5|H<1>}	C(N[6,6]C[3x6]C[6,6])(OC)(O)	120.3970	0.000	1	120.3970	0.000	1	121.1103	0.570	3	122.1218	4.472	4	121.7920	6.711	30	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C	4:4:3:	4:3:3:1:	3:2:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[3x6]C[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(N[6,6]C[6,6]C)(H){1|C<4>,4|H<1>}	C(N[6,6]C[3x6]C[6,6])(OC)(O)	121.0330	0.000	1	121.0330	0.000	1	121.1103	0.570	3	122.1218	4.472	4	121.7920	6.711	30	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C	4:4:3:	4:3:3:1:	3:3:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6a]-3:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CC[6a]O)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CC[6a]O){1|C<3>,2|C<4>,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)(H){2|C<4>,4|H<1>}	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	126.5690	0.000	1	126.5690	0.000	1	126.5690	0.000	1	126.5690	0.000	1	121.7920	6.711	30	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C	4:4:3:	4:3:4:4:	3:2:1:	C[3x6]-4:C[3x6]-4:C-3:	C[4x6]-4:N[6,6]-3:C[6]-4:C-4:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6]C)(COO)	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(C[6]C[6]HH)(CH3)	C(N[6,6]C[3x6]2)(OC)(O)	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6]C)(COO){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C(N[6,6]C[3x6]2)(OC)(O)	120.9220	0.000	1	120.9220	0.000	1	120.9220	0.000	1	120.9220	0.000	1	121.7920	6.711	30	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[3x6]-4:C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:H-1:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H)	C(N[6,6]C[3x6]2)(H)(O)	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO){1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	C(N[6,6]C[3x6]2)(H)(O)	122.8115	1.750	2	122.8115	3.063	2	123.4806	1.140	5	123.3495	1.015	6	121.7920	6.711	30	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[3x6]-4:C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:H-1:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H)	C(N[6,6]C[3x6]2)(H)(O)	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO){1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	C(N[6,6]C[3x6]2)(H)(O)	123.9267	0.046	3	123.9267	0.002	3	123.4806	1.140	5	123.3495	1.015	6	121.7920	6.711	30	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:H-1:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CHO)	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])(H)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CHO){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])(H)(O)	122.6940	0.000	1	122.6940	0.000	1	122.6940	0.000	1	123.3495	1.015	6	121.7920	6.711	30	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C	4:4:3:	4:4:3:1:	3:2:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	C[3x6](C[6,6]C[6,6]HO)2(N[6,6]C[6,6]C)(H)	C(N[6,6]C[3x6]C[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){2|C<4>,2|O<2>,3|H<1>}	C[3x6](C[6,6]C[6,6]HO)2(N[6,6]C[6,6]C)(H){1|C<4>,6|H<1>}	C(N[6,6]C[3x6]C[6,6])(OC)(O)	124.7230	0.000	1	124.7230	0.000	1	124.7230	0.000	1	124.7230	0.000	1	121.7920	6.711	30	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C	4:4:3:	4:4:3:1:	3:4:1:	C[3x6]-4:C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C-4:O-1:	N[6,6](C[3x6]C[6,6]2H)2(CCO)	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]C)(H)	C(N[6,6]C[3x6]2)(CHHI)(O)	N[6,6](C[3x6]C[6,6]2H)2(CCO){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]C)(H){1|N<3>,2|C<4>,3|H<1>}	C(N[6,6]C[3x6]2)(CHHI)(O)	123.1030	4.681	2	123.1030	21.912	2	123.1030	21.912	2	121.8685	10.323	4	121.7920	6.711	30	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C	4:4:3:	4:4:3:1:	3:4:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C-4:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[3x6]C[6,6])(CC[6a]HH)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO){1|C<4>,1|N<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(N[6,6]C[3x6]C[6,6])(CC[6a]HH)(O)	119.4170	0.000	1	119.4170	0.000	1	120.6340	2.962	2	121.8685	10.323	4	121.7920	6.711	30	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C	4:4:3:	4:4:3:1:	3:4:1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C-4:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO)	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[3x6]C[6,6])(CC[6a]HH)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO){1|C<4>,2|N<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H){1|C<3>,3|C<4>,4|H<1>}	C(N[6,6]C[3x6]C[6,6])(CC[6a]HH)(O)	121.8510	0.000	1	121.8510	0.000	1	120.6340	2.962	2	121.8685	10.323	4	121.7920	6.711	30	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:N[6,6]-3:C-3:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	N[6,6]-3:N-3:O-1:	N[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(CNO)	C[6,6](N[6,6]N[6,6]C)(C[6]O[6]HH)(C[6]C[6]H)(H)	C(N[6,6]C[6,6]N[6,6])(NC[6a]H)(O)	N[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(CNO){1|C<3>,1|O<2>,7|H<1>}	C[6,6](N[6,6]N[6,6]C)(C[6]O[6]HH)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	C(N[6,6]C[6,6]N[6,6])(NC[6a]H)(O)	124.8930	0.000	1	124.8930	0.000	1	124.8930	0.000	1	124.8930	0.000	1	122.6861	4.806	18	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C	4:4:3:	3:3:3:1:	3:2:1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]N[6]O)(H)	C(N[6,6]C[6,6]2)(OC)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]N[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	C(N[6,6]C[6,6]2)(OC)(O)	119.4470	0.000	1	119.4470	0.000	1	119.4470	0.000	1	119.4470	0.000	1	122.6861	4.806	18	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C	4:4:3:	3:4:1:1:	3:2:1:	C[5,3x6]-4:C[6,6]-4:C-3:	N[6,6]-3:C[3x6]-4:H-1:H-1:	N[6,6]-3:O-2:O-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(N[6,6]C[5,3x6]C[6,6])(OC[6a])(O)	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(N[6,6]C[5,3x6]C[6,6])(OC[6a])(O)	123.9800	0.000	1	123.5330	0.400	2	123.5330	0.400	2	123.5330	0.400	2	122.6861	4.806	18	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C	4:4:3:	3:4:1:1:	3:2:1:	C[5,3x6]-4:C[6,6]-4:C-3:	N[6,6]-3:C[3x6]-4:H-1:H-1:	N[6,6]-3:O-2:O-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(N[6,6]C[5,3x6]C[6,6])(OC[6a])(O)	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(N[6,6]C[5,3x6]C[6,6])(OC[6a])(O)	123.0860	0.000	1	123.5330	0.400	2	123.5330	0.400	2	123.5330	0.400	2	122.6861	4.806	18	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C	4:4:3:	4:3:1:1:	3:1:1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:H-1:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CHO)	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])(H)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CHO){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])(H)(O)	120.8790	0.000	1	120.8790	0.000	1	120.8790	0.000	1	120.8790	0.000	1	122.6861	4.806	18	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(COO)	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])(OC[6a])(O)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(COO){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(N[6,6]C[3x6]C[6,6])(OC[6a])(O)	119.3020	0.000	1	119.3020	0.000	1	122.6244	5.058	7	122.6244	5.058	7	122.6861	4.806	18	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(H)2	C(N[6,6]C[3x6]C[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(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])(OC)(O)	124.4610	0.000	1	124.4610	0.000	1	122.6244	5.058	7	122.6244	5.058	7	122.6861	4.806	18	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	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])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(N[6,6]C[3x6]C[6,6])(OC)(O)	123.0940	0.000	1	121.3040	6.408	2	122.6244	5.058	7	122.6244	5.058	7	122.6861	4.806	18	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	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])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){2|C<4>,2|O<2>,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])(OC)(O)	119.5140	0.000	1	121.3040	6.408	2	122.6244	5.058	7	122.6244	5.058	7	122.6861	4.806	18	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	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])(OC[6a])(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<3>,4|H<1>}	C(N[6,6]C[3x6]C[6,6])(OC[6a])(O)	124.1540	0.472	2	124.1540	0.223	2	122.6244	5.058	7	122.6244	5.058	7	122.6861	4.806	18	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	C[6,6](C[3x6]C[6,6]O[6,6]H)(N[6,6]C[3x6]C)(H)2	C(N[6,6]C[3x6]C[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(N[6,6]C[3x6]C[6,6])(OC)(O)	123.6920	0.000	1	123.6920	0.000	1	122.6244	5.058	7	122.6244	5.058	7	122.6861	4.806	18	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C-4:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO)	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(H)2	C(N[6,6]C[3x6]C[6,6])(CC[6a]HH)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO){1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(N[6,6]C[3x6]C[6,6])(CC[6a]HH)(O)	124.1640	0.000	1	124.3110	0.043	2	124.3110	0.043	2	124.3110	0.043	2	122.6861	4.806	18	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C-4:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO)	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(H)2	C(N[6,6]C[3x6]C[6,6])(CC[6a]HH)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO){1|C<4>,2|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(N[6,6]C[3x6]C[6,6])(CC[6a]HH)(O)	124.4580	0.000	1	124.3110	0.043	2	124.3110	0.043	2	124.3110	0.043	2	122.6861	4.806	18	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C	4:4:3:	4:3:4:1:	3:2:1:	C[6,6]-4:C[6,6]-4:C-3:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6]HH)(H)	C(N[6,6]C[6,6]2)(OC)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO){1|N<3>,1|O<1>,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]HH)(H){2|H<1>,3|C<3>}	C(N[6,6]C[6,6]2)(OC)(O)	124.9980	0.000	1	124.9980	0.000	1	124.9980	0.000	1	124.9980	0.000	1	122.6861	4.806	18	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C	4:4:3:	4:3:4:1:	3:3:1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:N[6,6]-3:C-4:H-1:	N[6,6]-3:C[6a]-3:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CC[6a]O)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CH3)(H)	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CC[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	118.5590	0.000	1	118.5590	0.000	1	118.5590	0.000	1	118.5590	0.000	1	122.6861	4.806	18	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C	4:4:3:	4:3:4:1:	3:3:3:	C[6,6]-4:C[6,6]-4:C-3:	C[5,5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C-3:C-3:	N[6,6](C[6,6]C[5,5,6,6]C[6]H)2(CCC)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	C(N[6,6]C[6,6]2)(CCH)(COO)	N[6,6](C[6,6]C[5,5,6,6]C[6]H)2(CCC){2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C(N[6,6]C[6,6]2)(CCH)(COO)	124.0140	0.000	1	122.7575	3.158	2	122.7575	3.158	2	122.7575	3.158	2	122.6861	4.806	18	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C	4:4:3:	4:3:4:1:	3:3:3:	C[6,6]-4:C[6,6]-4:C-3:	C[5,5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C-3:C-3:	N[6,6](C[6,6]C[5,5,6,6]C[6]H)2(CCC)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	C(N[6,6]C[6,6]2)(CCH)(COO)	N[6,6](C[6,6]C[5,5,6,6]C[6]H)2(CCC){2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C(N[6,6]C[6,6]2)(CCH)(COO)	121.5010	0.000	1	122.7575	3.158	2	122.7575	3.158	2	122.7575	3.158	2	122.6861	4.806	18	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[3x6]	C	4:4:3:	4:3:4:3:	3:3:1:	C[3x6]-4:C[6]-4:C-3:	C[3x6]-4:C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]O)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]C)	C(N[6]C[3x6]C[6])(C[6a]C[6a]2)(O)	N[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]O){1|C<3>,4|C<4>,5|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]C){1|N<3>,5|C<4>,8|H<1>}	C(N[6]C[3x6]C[6])(C[6a]C[6a]2)(O)	124.6120	1.287	2	124.6120	1.656	2	124.6120	1.656	2	124.6120	1.656	2	124.6120	1.656	2	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	3:4:3:	3:3:3:1:	3:2:1:	C[6,6a]-3:C[6,6]-4:C-3:	N[6,6]-3:N[6]-3:C[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(COO)	C[6,6](N[6,6]C[6,6]C)(N[6]C[6,6a]C)(C[6]C[6]C)(H)	C(N[6]C[6,6a]C[6,6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(COO){1|C<4>,1|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6]C)(N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[6]C[6,6a]C[6,6])(OC)(O)	122.0490	0.112	2	122.0490	0.012	2	122.0490	0.012	2	122.0490	0.012	2	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	3:4:3:	3:4:4:4:	3:4:1:	C[6,6a]-3:C[6,6]-4:C-3:	N[6]-3:C[6]-4:C[6]-4:C[6]-4:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCO)	C[6,6](N[6]C[6,6a]C)(C[6]C[6]HH)3	C(N[6]C[6,6a]C[6,6])(CClHH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCO){2|C<3>,3|C<4>,7|H<1>}	C[6,6](N[6]C[6,6a]C)(C[6]C[6]HH)3{2|C<3>,2|C<4>,5|H<1>}	C(N[6]C[6,6a]C[6,6])(CClHH)(O)	121.4650	0.000	1	121.4650	0.000	1	121.4650	0.000	1	121.4650	0.000	1	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	3:4:3:	4:3:2:1:	3:2:1:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(COO)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(O[6]C[6,6])(H)	C(N[6]C[6,6a]C[6,6])(OC)(O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(COO){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(O[6]C[6,6])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C(N[6]C[6,6a]C[6,6])(OC)(O)	119.8180	0.000	1	119.8180	0.000	1	119.8180	0.000	1	119.8180	0.000	1	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	3:4:3:	4:3:4:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O)	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]CH)(H)	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,6|H<1>}	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)	117.3080	0.000	1	117.3080	0.000	1	117.3080	0.000	1	117.3080	0.000	1	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	3:4:3:	4:3:4:1:	3:4:1:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CCO)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]C)(C[6]C[6]HO)(H)	C(N[6]C[6,6a]C[6,6])(CH3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CCO){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>,2|O<2>}	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]C)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6,6])(CH3)(O)	117.8880	0.260	2	117.8880	0.068	2	117.8880	0.068	2	117.8880	0.068	2	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:3:3:	2:4:4:3:	3:4:1:	C[6,6]-4:C[6]-3:C-3:	O[6]-2:C[6]-4:C[6]-4:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(CCO)	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]C)	C(N[6]C[6,6]C[6])(CBrCH)(O)	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(CCO){2|C<3>,3|C<4>,3|H<1>}	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C(N[6]C[6,6]C[6])(CBrCH)(O)	118.9540	0.000	1	118.9540	0.000	1	120.6163	3.157	4	120.6163	3.157	4	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:3:3:	2:4:4:3:	3:4:1:	C[6,6]-4:C[6]-3:C-3:	O[6]-2:C[6]-4:C[6]-4:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(CCO)	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(N[6]C[6]C)	C(N[6]C[6,6]C[6])(CBrCH)(O)	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(CCO){2|C<3>,2|C<4>,4|H<1>}	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(N[6]C[6,6]C[6])(CBrCH)(O)	119.7540	0.000	1	119.7540	0.000	1	120.6163	3.157	4	120.6163	3.157	4	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:3:3:	2:4:4:3:	3:4:1:	C[6,6]-4:C[6]-3:C-3:	O[6]-2:C[6]-4:C[6]-4:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(CCO)	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(N[6]C[6]C)	C(N[6]C[6,6]C[6])(CCCH)(O)	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(CCO){2|C<3>,2|C<4>,4|H<1>}	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(N[6]C[6,6]C[6])(CCCH)(O)	121.8785	1.667	2	121.8785	2.778	2	120.6163	3.157	4	120.6163	3.157	4	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:3:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(CCO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(CH3)(O)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(CCO){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C(N[6]C[6,6]C[6])(CH3)(O)	117.0000	0.000	1	117.0000	0.000	1	117.0000	0.000	1	117.0000	0.000	1	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:3:3:	4:3:2:1:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO)	C[6,6](C[6,6]C[6,6]FH)(N[6]C[6]C)(O[6]C[6])(H)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	C[6,6](C[6,6]C[6,6]FH)(N[6]C[6]C)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6,6]C[6])(OC)(O)	122.0020	0.000	1	122.0020	0.000	1	123.6730	5.584	2	123.6730	5.584	2	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:3:3:	4:3:2:1:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO)	C[6,6](C[6,6]C[6,6]HI)(N[6]C[6]C)(O[6]C[6])(H)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	C[6,6](C[6,6]C[6,6]HI)(N[6]C[6]C)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6,6]C[6])(OC)(O)	125.3440	0.000	1	125.3440	0.000	1	123.6730	5.584	2	123.6730	5.584	2	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-4:N[6,6]-3:N[6]-3:H-1:	N[6]-3:C-3:H-1:	N[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]O)(CCH)	C[6,6](C[6]C[6a]2C[6])(N[6,6]C[6]2)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(CC[6a]2)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]O)(CCH){3|C<3>,3|C<4>}	C[6,6](C[6]C[6a]2C[6])(N[6,6]C[6]2)(N[6]C[6]C)(H){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C(N[6]C[6,6]C[6])(CC[6a]2)(H)	117.1570	0.000	1	117.1570	0.000	1	117.1570	0.000	1	117.1570	0.000	1	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:4:3:	3:3:3:1:	3:2:1:	C[6,6]-4:C[6]-4:C-3:	C[5a,6]-3:C[6,6]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C(N[6]C[6,6]C[6])(OC)(O)	115.5080	0.000	1	115.5080	0.000	1	115.5080	0.000	1	119.6645	34.553	2	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:4:3:	3:3:3:1:	3:2:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6a]-3:C[6,6]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(COO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(COO){5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,4|C<3>,4|H<1>}	C(N[6]C[6,6]C[6])(OC)(O)	123.8210	0.000	1	123.8210	0.000	1	123.8210	0.000	1	119.6645	34.553	2	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:4:3:	3:3:3:4:	3:4:1:	C[6,6]-4:C[6]-4:C-3:	C[5,6,6]-3:C[6]-3:N[6]-3:C-4:	N[6]-3:C-4:O-1:	N[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CCO)	C[6,6](C[5,6,6]C[5,6,6]N[5])(C[6]C[6]C)(N[6]C[6]C)(CH3)	C(N[6]C[6,6]C[6])(CF3)(O)	N[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CCO){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6,6]N[5])(C[6]C[6]C)(N[6]C[6]C)(CH3){2|C<3>,2|C<4>,4|H<1>}	C(N[6]C[6,6]C[6])(CF3)(O)	117.6420	0.000	1	117.6420	0.000	1	117.6420	0.000	1	117.6420	0.000	1	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:4:3:	3:4:3:1:	3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6,6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:O-1:	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CHO)	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)(O)	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CHO){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)(O)	119.6530	0.078	2	119.6530	0.006	2	119.6530	0.006	2	119.6530	0.006	2	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:4:3:	3:4:3:1:	3:2:1:	C[6,6]-4:C[6]-4:C-3:	C[5,6]-3:C[6,6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(COO)	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(COO){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6,6]C[6])(OC)(O)	115.8020	0.000	1	115.8020	0.000	1	115.8020	0.000	1	120.7203	18.258	3	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:4:3:	3:4:3:1:	3:2:1:	C[6,6]-4:C[6]-4:C-3:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO){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]CH)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C(N[6]C[6,6]C[6])(OC)(O)	123.1795	0.482	2	123.1795	0.232	2	123.1795	0.232	2	120.7203	18.258	3	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6,6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CCO)	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])(CF3)(O)	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CCO){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])(CF3)(O)	115.6100	0.000	1	115.6100	0.000	1	115.6100	0.000	1	115.6100	0.000	1	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:4:3:	4:3:3:1:	3:2:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(COO)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]O)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(COO){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]O)(N[6]C[6]C)(H){2|C<4>,5|H<1>}	C(N[6]C[6,6]C[6])(OC)(O)	116.9820	0.000	1	116.9820	0.000	1	116.9820	0.000	1	116.9820	0.000	1	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:4:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CC[6a]O)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]O)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CC[6a]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]O)(N[6]C[6]C)(H){2|C<4>,5|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	116.8750	0.000	1	116.8750	0.000	1	120.0640	20.339	2	120.0640	20.339	2	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:4:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H){1|O<2>,3|C<4>,5|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	123.2530	0.000	1	123.2530	0.000	1	120.0640	20.339	2	120.0640	20.339	2	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:4:3:	4:4:3:1:	3:2:1:	C[6,6]-4:C[6]-4:C-3:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(COO)	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6a])(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6a])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C(N[6]C[6,6]C[6])(OC)(O)	116.8060	0.000	1	116.8060	0.000	1	116.8060	0.000	1	120.3848	10.505	6	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:4:3:	4:4:3:1:	3:2:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO)	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])(OC)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO){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|Cl<1>,1|C<3>,2|C<4>,6|H<1>}	C(N[6]C[6,6]C[6])(OC)(O)	118.5060	3.714	2	118.5060	13.792	2	121.1006	9.289	5	120.3848	10.505	6	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:4:3:	4:4:3:1:	3:2:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)	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])(OC)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,4|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])(OC)(O)	123.2095	0.248	2	122.8303	0.462	3	121.1006	9.289	5	120.3848	10.505	6	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:4:3:	4:4:3:1:	3:2:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)	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])(OC)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(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])(OC)(O)	122.0720	0.000	1	122.8303	0.462	3	121.1006	9.289	5	120.3848	10.505	6	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:4:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-4:C-3:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[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)(O)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O){1|C<3>,3|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)(H){1|O<1>,5|C<4>,6|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	126.2870	0.000	1	126.2870	0.000	1	126.2870	0.000	1	121.8525	39.330	2	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:4:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O)	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)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	117.4180	0.000	1	117.4180	0.000	1	117.4180	0.000	1	121.8525	39.330	2	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:4:3:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)	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])(CH3)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO){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){4|C<4>,6|H<1>}	C(N[6]C[6,6]C[6])(CH3)(O)	117.4960	0.000	1	117.4960	0.000	1	118.2967	0.696	3	118.2967	0.696	3	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:4:3:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N[5]H)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(CC[6a]HH)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N[5]H)(N[6]C[6]C)(H){1|N<3>,3|C<4>,6|H<1>}	C(N[6]C[6,6]C[6])(CC[6a]HH)(O)	118.2330	0.000	1	118.2330	0.000	1	118.2967	0.696	3	118.2967	0.696	3	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:4:3:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]N[5]H)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(CC[6a]HH)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO){1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]N[5]H)(N[6]C[6]C)(H){4|C<4>,4|H<1>}	C(N[6]C[6,6]C[6])(CC[6a]HH)(O)	119.1610	0.000	1	119.1610	0.000	1	118.2967	0.696	3	118.2967	0.696	3	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:4:3:	4:4:3:3:	3:4:1:	C[6]-4:C[6,6]-4:C-3:	C[6]-4:C[6]-4:C[6]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(CCO)	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(C[6]N[6]O)(N[6]C[6]C)	C(N[6]C[6,6]C[6])(CH3)(O)	N[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(CCO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(C[6]N[6]O)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	C(N[6]C[6,6]C[6])(CH3)(O)	117.7720	0.000	1	117.7720	0.000	1	117.7720	0.000	1	117.7720	0.000	1	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:4:3:	4:4:4:3:	3:2:1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:C[6]-4:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[6]3)(C[6]C[6]CH)(COO)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]C)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6]3)(C[6]C[6]CH)(COO){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	C(N[6]C[6,6]C[6])(OC)(O)	118.7820	0.000	1	118.7820	0.000	1	118.7820	0.000	1	118.7820	0.000	1	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6,6]	C	4:4:3:	4:4:4:3:	3:3:1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:C[6]-4:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6]C[6]3)(C[6]C[6]CH)(CC[6a]O)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]C)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6]C[6]3)(C[6]C[6]CH)(CC[6a]O){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]C){1|N<2>,1|O<2>,3|C<4>,4|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	122.6260	0.000	1	122.6260	0.000	1	122.6260	0.000	1	122.6260	0.000	1	119.8457	8.423	41	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:1:1:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)	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])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO){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])(OC)(O)	118.1820	0.230	3	118.1820	0.053	3	118.1820	0.053	3	118.5166	1.112	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:1:1:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]Br)(H)2	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO){1|Br<1>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]Br)(H)2{1|H<1>,2|C<3>}	C(N[6]C[6,6a]C[6])(OC)(O)	117.6950	0.000	1	117.6950	0.000	1	117.6950	0.000	1	118.5166	1.112	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:1:1:	3:2:1:	N[6]-3:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)	C[6](C[6]C[6]H)(N[6]N[6]C)(H)2	C(N[6]C[6]N[6])(OC)(O)	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]N[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(N[6]C[6]N[6])(OC)(O)	120.3420	0.000	1	120.3420	0.000	1	120.3420	0.000	1	118.5166	1.112	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:1:1:	3:3:1:	C[5a,6]-3:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(H)2	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(O)	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(CC[6a]O){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(H)2{1|O<2>,4|C<3>}	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(O)	125.1410	0.000	1	125.1410	0.000	1	125.1410	0.000	1	120.2558	9.738	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)2	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	117.9360	0.000	1	117.9360	0.000	1	119.4655	6.452	4	120.2558	9.738	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)2	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)2{1|Cl<1>,2|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	117.8900	0.000	1	119.9753	8.119	3	119.4655	6.452	4	120.2558	9.738	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)2	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	121.0180	3.117	2	119.9753	8.119	3	119.4655	6.452	4	120.2558	9.738	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:1:1:	3:3:1:	N[6,6]-3:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CC[6a]O)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6,6]C)(H)2	C(N[6]N[6,6]C[6])(C[6a]C[6a]2)(O)	N[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CC[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C(N[6]N[6,6]C[6])(C[6a]C[6a]2)(O)	118.5320	0.000	1	118.5320	0.000	1	118.5320	0.000	1	120.2558	9.738	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:1:1:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCO)	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])(CN[6]CC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCO){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])(CN[6]CC)(O)	127.5040	0.000	1	127.5040	0.000	1	127.5040	0.000	1	121.2494	16.375	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:1:1:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(H)2	C(N[6]C[6,6a]C[6])(CHHN)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO){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)(H)2{1|H<1>,2|C<3>}	C(N[6]C[6,6a]C[6])(CHHN)(O)	123.0250	0.000	1	123.0250	0.000	1	120.2655	15.230	2	121.2494	16.375	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:1:1:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(H)2	C(N[6]C[6,6a]C[6])(CHHS)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO){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)(H)2{1|H<1>,2|C<3>}	C(N[6]C[6,6a]C[6])(CHHS)(O)	117.5060	0.000	1	117.5060	0.000	1	120.2655	15.230	2	121.2494	16.375	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:1:1:	3:4:1:	C[6]-3:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]S)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCO){1|C<4>,1|S<4>,3|C<3>}	C[6](C[6]C[6]S)(N[6]C[6]C)(H)2{3|C<3>}	C(N[6]C[6]2)(CH3)(O)	119.1060	0.164	2	119.1060	0.027	2	119.1060	0.027	2	121.2494	16.375	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:2:1:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:C-2:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]O)(CC)(H)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]O)(CC)(H){1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6,6a]C[6])(OC)(O)	120.3500	2.946	2	120.3500	8.678	2	121.2953	7.020	3	121.2953	7.020	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:2:1:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:C-2:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]O)(CC)(H)	C(N[6]C[6,6a]C[6])(OC[3x6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]O)(CC)(H){1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6,6a]C[6])(OC[3x6])(O)	123.1860	0.000	1	123.1860	0.000	1	121.2953	7.020	3	121.2953	7.020	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:C-2:H-1:	N[6]-3:N[5]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CN[5]O)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CN)(H)	C(N[6]C[6,6a]C[6])(N[5]C[5]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CN[5]O){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CN)(H){1|H<1>,2|C<3>}	C(N[6]C[6,6a]C[6])(N[5]C[5]2)(O)	116.2150	0.225	2	116.2150	0.051	2	116.2150	0.051	2	117.0397	2.066	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:O[6]-2:H-1:	N[6]-3:C-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CCH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H)	C(N[6]C[6,6a]C[6])(CCH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CCH){1|C<4>,1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(CCH)(H)	118.6890	0.000	1	118.6890	0.000	1	118.6890	0.000	1	117.0397	2.066	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:C-2:H-1:	N[6]-3:C-3:C-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC)(H)	C(N[6]C[6,6a]C[6])(CCH)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC)(H){1|H<1>,2|C<3>}	C(N[6]C[6,6a]C[6])(CCH)(COO)	120.1390	0.000	1	120.1390	0.000	1	120.1390	0.000	1	120.1390	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:3:1:	3:1:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:H-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHO)	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])(H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHO){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){1|Cl<1>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)(O)	120.1810	0.000	1	120.1810	0.000	1	118.8580	3.501	2	118.8580	3.501	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:3:1:	3:1:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:H-1:O-1:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(CHO)	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])(H)(O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(CHO){1|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|N<2>,2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)(O)	117.5350	0.000	1	117.5350	0.000	1	118.8580	3.501	2	118.8580	3.501	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:3:1:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6a]-3:N[6]-3:C[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]H)(H)	C(N[6]C[6,6a]C[6])(OC[6a])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){2|H<1>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C(N[6]C[6,6a]C[6])(OC[6a])(O)	117.2040	0.000	1	117.2040	0.000	1	117.2040	0.000	1	117.2040	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-3:H-1:	N[6]-3:C-3:O-1:	N[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CNO)(H)	C(N[6]C[6,6a]C[6])(CCH)(O)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(CCO){1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CNO)(H){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(CCH)(O)	119.7070	0.000	1	119.7070	0.000	1	119.7070	0.000	1	119.7070	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:3:1:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	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])(CH3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){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){1|C<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(O)	116.4650	0.000	1	116.4650	0.000	1	116.4650	0.000	1	116.4650	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:C[6a]-3:N-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]N)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[5,6]H)(C[6a]C[6a]2)(NCH)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]N)(COO){2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[5,6]H)(C[6a]C[6a]2)(NCH){2|H<1>,5|C<3>}	C(N[6]C[6,6a]C[6])(OC)(O)	117.7160	0.000	1	117.7160	0.000	1	117.7160	0.000	1	117.7160	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:4:1:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[5,6]-3:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(COO)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(CCHH)(H)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(COO){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	118.5820	0.000	1	118.5820	0.000	1	118.5820	0.000	1	121.1298	17.776	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:4:1:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCCH)(H)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCCH)(H){1|H<1>,2|C<3>}	C(N[6]C[6,6a]C[6])(OC)(O)	120.8133	3.476	3	120.8133	12.083	3	120.8133	12.083	3	121.1298	17.776	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:4:1:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	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])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){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>,3|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(OC)(O)	117.7890	0.000	1	117.7890	0.000	1	117.7890	0.000	1	121.1298	17.776	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:4:1:	3:2:1:	N[5,6]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(COO)	C[6](N[6]N[5,6]C)(C[6]C[6]H)(CCHH)(H)	C(N[6]N[5,6]C[6])(OC)(O)	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]N[5,6]C)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(N[6]N[5,6]C[6])(OC)(O)	127.9680	0.000	1	127.9680	0.000	1	127.9680	0.000	1	121.1298	17.776	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:4:1:	3:3:1:	C[5,6]-3:C[6]-4:C-3:	C[6a]-3:N[6]-3:C[6]-4:H-1:	N[6]-3:C-3:O-1:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)(CCO)	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(C[6]C[6]CH)(H)	C(N[6]C[5,6]C[6])(CCH)(O)	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)(CCO){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(C[6]C[6]CH)(H){1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C(N[6]C[5,6]C[6])(CCH)(O)	122.0260	0.000	1	122.0260	0.000	1	122.0260	0.000	1	120.0843	3.195	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CC[6a]HH)(H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O){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)(CC[6a]HH)(H){3|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	119.0280	0.918	4	119.0280	0.843	4	119.0280	0.843	4	120.0843	3.195	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)	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)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O){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){2|H<1>,5|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	122.3680	0.000	1	122.3680	0.000	1	122.3680	0.000	1	120.0843	3.195	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:4:1:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:C-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCO)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C)(CCHH)(H)	C(N[6]C[6,6a]C[6])(CF3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C)(CCHH)(H){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(CF3)(O)	126.5130	0.000	1	126.5130	0.000	1	126.5130	0.000	1	119.9908	13.534	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:4:1:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	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])(CH3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){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|O<1>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(O)	118.6690	0.000	1	118.6690	0.000	1	118.3603	0.321	4	119.9908	13.534	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:4:1:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	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])(CH3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){3|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|O<1>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(O)	118.0890	0.000	1	118.0890	0.000	1	118.3603	0.321	4	119.9908	13.534	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:4:1:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]HH)(H)	C(N[6]C[6,6a]C[6])(CH3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){1|S<2>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]HH)(H){2|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(O)	118.3415	0.890	2	118.3415	0.793	2	118.3603	0.321	4	119.9908	13.534	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:4:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:C[6]-4:C-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO){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)(COO){4|C<3>,4|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	118.5270	0.000	1	118.5270	0.000	1	118.5270	0.000	1	118.5270	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:4:4:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:C[6]-4:C-4:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO){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)(CCHH){4|C<3>,4|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	120.8080	0.000	1	120.8080	0.000	1	120.8080	0.000	1	120.8080	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:1:1:	3:1:1:	C[5,6]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:O-1:O-1:	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(COO)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[5,6]C[6])(O)2	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(COO){3|C<4>,4|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])(O)2	117.2070	0.000	1	117.2070	0.000	1	117.2070	0.000	1	117.2070	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:1:1:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|C<2>,3|C<3>}	C(N[6]C[6,6a]C[6])(OC)(O)	122.3820	0.000	1	122.3820	0.000	1	120.9753	5.178	3	120.1558	4.933	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:1:1:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO){1|O<2>,2|C<3>,3|H<1>}	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])(OC)(O)	120.2720	2.718	2	120.2720	7.388	2	120.9753	5.178	3	120.1558	4.933	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:1:1:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:S-2:S-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CSS)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6a]C[6])(SS)(S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CSS){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])(SS)(S)	118.9265	2.082	2	118.9265	4.337	2	118.9265	4.337	2	120.1558	4.933	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]O)	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)(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]O){3|C<4>,4|H<1>}	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])(C[6a]C[6a]2)(O)	120.5990	0.000	1	120.5990	0.000	1	120.5990	0.000	1	118.7941	7.130	12	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[6]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]O)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C(C[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]O){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(C[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(O)	116.0600	0.000	1	116.0600	0.000	1	116.0600	0.000	1	118.7941	7.130	12	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6a]C[6])(CCH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH){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])(CCH)(H)	116.9420	0.000	1	116.9420	0.000	1	116.9420	0.000	1	118.7941	7.130	12	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]O)	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)(O)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,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])(C[6a]C[6a]2)(O)	117.7135	0.391	2	117.7135	0.153	2	117.7372	2.105	6	118.7941	7.130	12	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C[6](N[6]C[6,6a]C)(C[6]C[6]HS)(H)2	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	116.1390	0.027	2	116.1390	0.001	2	117.7372	2.105	6	118.7941	7.130	12	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(H)2	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(H)2{2|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	119.3700	0.000	1	119.3700	0.000	1	117.7372	2.105	6	118.7941	7.130	12	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]O)	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)(O)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	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])(C[6a]C[6a]2)(O)	119.3480	0.000	1	119.3480	0.000	1	117.7372	2.105	6	118.7941	7.130	12	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:S-1:	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]S)	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)(S)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]S){1|C<4>,1|N<3>,2|C<3>,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])(C[6a]C[6a]2)(S)	120.2735	2.162	2	120.2735	4.673	2	120.2735	4.673	2	118.7941	7.130	12	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:Se-1:	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]Se)	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)(Se)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]Se){1|C<4>,1|N<3>,2|C<3>,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])(C[6a]C[6a]2)(Se)	124.9580	0.000	1	124.9580	0.000	1	124.9580	0.000	1	118.7941	7.130	12	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]C)	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)(CC[6a]O)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]C){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])(C[6a]C[6a]2)(CC[6a]O)	116.3195	0.370	2	116.3195	0.137	2	116.3195	0.137	2	116.3195	0.137	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:1:1:	3:4:1:	C[5,6]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCO)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[5,6]C[6])(CCHH)(O)	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCO){3|C<4>,4|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])(CCHH)(O)	119.5060	0.000	1	119.5060	0.000	1	119.5060	0.000	1	119.9740	10.193	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:1:1:	3:4:1:	C[6,6]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6]C[5,5,6,6]C[6])(C[6]C[6]HH)(CCO)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(CH3)(O)	N[6](C[6,6]C[5,5,6,6]C[6])(C[6]C[6]HH)(CCO){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])(CH3)(O)	117.5895	0.045	2	117.5895	0.002	2	119.3430	9.225	3	119.9740	10.193	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:1:1:	3:4:1:	C[6,6]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCO)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(CH3)(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCO){3|C<4>,4|H<1>}	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])(CH3)(O)	122.8500	0.000	1	122.8500	0.000	1	119.3430	9.225	3	119.9740	10.193	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:1:1:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6a]C[6])(CN[6]CH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO){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])(CN[6]CH)(O)	117.3920	0.000	1	117.3920	0.000	1	121.1545	28.313	2	119.9740	10.193	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:1:1:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2	C(N[6]C[6,6a]C[6])(CCl2H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO){1|O<2>,2|C<3>,3|H<1>}	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])(CCl2H)(O)	124.9170	0.000	1	124.9170	0.000	1	121.1545	28.313	2	119.9740	10.193	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:1:1:	3:4:2:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:O-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6a]C[6])(CH3)(OPd)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO){1|Pd<4>,1|C<4>,2|C<3>,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])(CH3)(OPd)	116.1070	0.341	2	116.1070	0.116	2	116.1070	0.116	2	116.1070	0.116	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[6]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5,5,6]O)	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(H)2	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(N[6]C[6,6a]C[6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5,5,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(N[6]C[6,6a]C[6])(O)	124.3810	0.000	1	124.3810	0.000	1	124.3810	0.000	1	124.3810	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:2:1:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:O-2:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]NiH)(OC)(H)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO){1|Ni<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]NiH)(OC)(H){1|H<1>,2|C<3>}	C(N[6]C[6,6a]C[6])(OC)(O)	118.4660	0.000	1	118.4660	0.000	1	118.4660	0.000	1	118.4660	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:2:1:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:O-2:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(OC)(H)	C(N[6]C[6,6a]C[6])(CH3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(CH3)(O)	118.7410	0.000	1	118.7410	0.000	1	118.7410	0.000	1	118.7410	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:3:1:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	C[6](C[6a]C[6a,6a]C[6a])(C[6]B[5]C[6]H)(N[6]C[6,6a]C)(H)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]B[5]C[6]H)(N[6]C[6,6a]C)(H){2|O<2>,3|H<1>,5|C<3>}	C(N[6]C[6,6a]C[6])(OC)(O)	120.3390	0.000	1	120.3390	0.000	1	120.3390	0.000	1	120.3390	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:C-3:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O)	C[6](N[6]C[6,6a]C)(C[6]C[6]HO)(COO)(H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HO)(COO)(H){1|H<1>,1|O<2>,2|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	117.5410	0.000	1	117.5410	0.000	1	117.5410	0.000	1	119.3863	6.248	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:3:1:	3:3:1:	N[6,6]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:C-3:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]O)	C[6](N[6]N[6,6]C)(C[6]N[6]HH)(CCC)(H)	C(N[6]N[6,6]C[6])(C[6a]C[6a]2)(O)	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](N[6]N[6,6]C)(C[6]N[6]HH)(CCC)(H){1|S<4>,2|C<4>}	C(N[6]N[6,6]C[6])(C[6a]C[6a]2)(O)	120.3090	2.718	2	120.3090	7.388	2	120.3090	7.388	2	119.3863	6.248	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:3:1:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]C[6,6a]C)(H)	C(N[6]C[6,6a]C[6])(CH3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5]H)(CCO){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]C[6,6a]C)(H){2|H<1>,6|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(O)	118.1730	0.000	1	118.1730	0.000	1	118.1730	0.000	1	118.1730	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:4:1:	3:1:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:H-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHO)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	C(N[6]C[6,6a]C[6])(H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHO){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(H)(O)	118.6650	0.199	4	118.6650	0.039	4	118.6650	0.039	4	119.8779	1.768	8	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:4:1:	3:1:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:H-1:S-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHS)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	C(N[6]C[6,6a]C[6])(H)(S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHS){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(H)(S)	121.0907	0.403	4	121.0907	0.163	4	121.0907	0.163	4	119.8779	1.768	8	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCCH)(H)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C[6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C[6])(O)	116.2410	0.000	1	116.2410	0.000	1	116.2410	0.000	1	116.2410	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:4:1:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCO)	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]HH)(H)	C(N[6]C[6,6a]C[6])(CC[6a]CH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCO){1|O<2>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]HH)(H){2|C<3>}	C(N[6]C[6,6a]C[6])(CC[6a]CH)(O)	124.0600	0.000	1	124.0600	0.000	1	124.0600	0.000	1	119.7283	15.514	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:4:1:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[5]-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[5]O)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	C(N[6]C[6,6a]C[6])(C[5]C[5]N[5]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(C[5]C[5]N[5]H)(O)	117.5625	1.698	2	117.5625	2.882	2	117.5625	2.882	2	119.7283	15.514	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	4:3:1:1:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6a]C)(H)2	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(COO){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])(OC)(O)	122.0883	1.524	3	122.0883	2.322	3	122.0883	2.322	3	121.3046	4.539	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	4:3:1:1:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(COO){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|N<3>,1|O<1>}	C(N[6]C[6]2)(OC)(O)	120.1290	2.984	2	120.1290	8.904	2	120.1290	8.904	2	121.3046	4.539	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]C)(H)2	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CC[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]C)(H)2{2|C<3>,5|C<4>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	116.5730	0.000	1	116.5730	0.000	1	116.5730	0.000	1	116.8288	1.198	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(CN[6]O)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6a]C)(H)2	C(N[6]C[6,6a]C[6])2(O)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(CN[6]O){2|H<1>,4|C<3>}	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])2(O)	115.8325	0.302	2	115.8325	0.091	2	115.8325	0.091	2	116.8288	1.198	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]O)	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)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]O){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|O<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	117.9530	0.351	2	117.9530	0.123	2	117.9530	0.123	2	116.8288	1.198	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCC)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[5]C)(COO)	N[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCC){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{3|C<3>}	C(N[6]C[6]2)(CC[5]C)(COO)	122.4550	0.000	1	122.4550	0.000	1	122.4550	0.000	1	122.4550	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	4:3:1:1:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[4,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(CCO)	C[6](C[4,6]C[4,6]N[4]H)(N[6]C[6,6a]C)(H)2	C(N[6]C[6,6a]C[6])(CH3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(CCO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[4,6]C[4,6]N[4]H)(N[6]C[6,6a]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(N[6]C[6,6a]C[6])(CH3)(O)	119.9800	0.000	1	119.9800	0.000	1	119.9800	0.000	1	118.4797	3.507	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5a,6]C)(C[6]C[6]HH)(CCO)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[5a,6]C)(C[6]C[6]HH)(CCO){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{3|C<3>}	C(N[6]C[6]2)(CH3)(O)	119.0780	0.000	1	119.0780	0.000	1	117.7295	3.637	2	118.4797	3.507	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHN)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCO){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)(CHHN)(O)	116.3810	0.000	1	116.3810	0.000	1	117.7295	3.637	2	118.4797	3.507	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	4:3:2:1:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:O-2:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(OH)(H)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(OC)(O)	115.6500	0.000	1	115.6500	0.000	1	115.6500	0.000	1	115.6500	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[3,6]-4:N[6]-3:C-2:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(CC[6a]O)	C[6](C[3,6]C[3,6]N[3]H)(N[6]C[6,6a]C)(CN)(H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(N[6]C[6,6a]C)(CN)(H){1|H<1>,1|S<4>,2|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	118.5050	0.000	1	118.5050	0.000	1	118.5050	0.000	1	118.5050	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	4:3:3:1:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(COO)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(COO){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C(N[6]C[6,6a]C[6])(OC)(O)	116.2987	1.277	3	116.2987	1.630	3	116.2987	1.630	3	117.6974	4.535	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	4:3:3:1:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	C[6](C[6]B[5]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]B[5]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){2|O<2>,4|C<3>,4|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	119.4750	0.000	1	119.4750	0.000	1	119.7955	0.205	2	117.6974	4.535	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	4:3:3:1:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C(N[6]C[6,6a]C[6])(OC)(O)	120.1160	0.000	1	120.1160	0.000	1	119.7955	0.205	2	117.6974	4.535	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	4:3:3:1:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[5,6]-4:N[6]-3:C-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCO)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]C)(COO)(H)	C(N[6]C[6,6a]C[6])(CH3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]C)(COO)(H){2|C<3>,2|H<1>,3|C<4>}	C(N[6]C[6,6a]C[6])(CH3)(O)	117.5770	0.000	1	117.5770	0.000	1	117.5770	0.000	1	116.4820	15.580	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	4:3:3:1:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C(N[6]C[6,6a]C[6])(CH3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CCO){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C(N[6]C[6,6a]C[6])(CH3)(O)	119.7660	0.000	1	119.7660	0.000	1	119.7660	0.000	1	116.4820	15.580	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	4:3:3:1:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C(N[6]C[6,6a]C[6])(CF3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CCO){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,3|H<1>,5|C<3>}	C(N[6]C[6,6a]C[6])(CF3)(O)	112.1030	0.000	1	112.1030	0.000	1	112.1030	0.000	1	116.4820	15.580	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	4:3:3:2:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6]-4:N[6]-3:C-3:O-2:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]CO)(COO)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6,6a]C)(COO)(OH)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]CO)(COO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6,6a]C)(COO)(OH){2|C<3>,2|H<1>,3|C<4>}	C(N[6]C[6,6a]C[6])(OC)(O)	115.9880	0.000	1	115.9880	0.000	1	115.9880	0.000	1	115.9880	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	4:3:4:1:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<3>}	C(N[6]C[6]2)(OC)(O)	117.6940	0.000	1	116.9400	0.582	3	116.9400	0.582	3	116.9400	0.582	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	4:3:4:1:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO){1|I<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<3>}	C(N[6]C[6]2)(OC)(O)	116.5630	0.559	2	116.9400	0.582	3	116.9400	0.582	3	116.9400	0.582	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	3:4:3:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]O)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]O){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	116.3170	0.000	1	116.3170	0.000	1	116.3170	0.000	1	116.3170	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:2:3:	3:2:4:1:	3:4:1:	C[6]-4:N[6]-2:C-3:	N[6]-3:N[6]-2:C-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]N[6]CH)(N[6]C[6])(CCO)	C[6](N[6]N[6]C)(N[6]N[6])(CH3)(H)	C(N[6]C[6]N[6])(CCHH)(O)	N[6](C[6]N[6]CH)(N[6]C[6])(CCO){1|C<3>,1|N<2>}	C[6](N[6]N[6]C)(N[6]N[6])(CH3)(H){1|C<3>}	C(N[6]C[6]N[6])(CCHH)(O)	122.3200	0.000	1	122.3200	0.000	1	122.3500	0.002	2	122.3500	0.002	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:2:3:	3:2:4:1:	3:4:1:	C[6]-4:N[6]-2:C-3:	N[6]-3:N[6]-2:C-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]N[6]CH)(N[6]C[6])(CCO)	C[6](N[6]N[6]C)(N[6]N[6])(CH3)(H)	C(N[6]C[6]N[6])(CH3)(O)	N[6](C[6]N[6]CH)(N[6]C[6])(CCO){1|C<3>,1|N<2>}	C[6](N[6]N[6]C)(N[6]N[6])(CH3)(H){1|C<3>}	C(N[6]C[6]N[6])(CH3)(O)	122.3800	0.000	1	122.3800	0.000	1	122.3500	0.002	2	122.3500	0.002	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:2:3:	3:3:1:1:	3:3:1:	C[6]-4:O[6]-2:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]O)	C[6](C[6]C[6]C)(N[6]O[6]C)(H)2	C(C[6a]C[6a]N[6a])(N[6]C[6]O[6])(O)	N[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]O[6]C)(H)2{2|C<4>}	C(C[6a]C[6a]N[6a])(N[6]C[6]O[6])(O)	124.8760	0.000	1	124.8760	0.000	1	124.8760	0.000	1	124.8760	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:2:3:	3:3:1:1:	3:4:1:	C[6]-4:O[6]-2:C-3:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]N[6,6]HH)(O[6]C[6,6])(CCO)	C[6](N[6,6]C[6,6]C[6])(N[6]O[6]C)(H)2	C(N[6]C[6]O[6])(CC[6a]HH)(O)	N[6](C[6]N[6,6]HH)(O[6]C[6,6])(CCO){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]O[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6]O[6])(CC[6a]HH)(O)	124.1130	0.000	1	124.1130	0.000	1	124.1130	0.000	1	124.1130	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:2:3:	3:3:2:1:	3:3:1:	C[6]-4:N[6]-2:C-3:	C[6]-3:N[6]-3:O-2:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6]C[6]HO)(N[6]C[6])(CC[6a]O)	C[6](C[6]C[6]C)(N[6]N[6]C)(OC)(H)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	N[6](C[6]C[6]HO)(N[6]C[6])(CC[6a]O){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]N[6]C)(OC)(H){1|C<3>,2|H<1>}	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	122.4370	0.000	1	122.4370	0.000	1	122.4370	0.000	1	122.4370	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:2:3:	3:3:2:1:	3:4:1:	C[6]-4:O[6]-2:C-3:	C[6]-3:N[6]-3:O-2:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HO)(O[6]C[6])(CCO)	C[6](C[6]C[6a]C[6])(N[6]O[6]C)(OH)(H)	C(N[6]C[6]O[6])(CH3)(O)	N[6](C[6]C[6]HO)(O[6]C[6])(CCO){2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6])(N[6]O[6]C)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]O[6])(CH3)(O)	124.4080	0.000	1	124.4080	0.000	1	124.4080	0.000	1	124.4080	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:2:3:	3:3:3:1:	3:3:2:	C[6]-4:N[6]-2:C-3:	C[6,6a]-3:N[6]-3:N-3:H-1:	N[6]-3:C-3:C-2:	N[6](C[6]C[6,6a]HN)(N[6]C[6])(CCC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(NCN)(H)	C(N[6]C[6]N[6])(CCH)(CN)	N[6](C[6]C[6,6a]HN)(N[6]C[6])(CCC){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(NCN)(H){1|H<1>,3|C<3>}	C(N[6]C[6]N[6])(CCH)(CN)	115.0600	0.000	1	115.0600	0.000	1	115.0600	0.000	1	115.0600	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:2:3:	3:3:3:1:	3:4:1:	C[6]-4:N[6]-2:C-3:	C[6a]-3:N[6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]N[6]H)(N[6]C[6])(CCO)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6]C)(H)	C(N[6]C[6]N[6])(CH3)(O)	N[6](C[6]C[6a]N[6]H)(N[6]C[6])(CCO){2|C<4>,3|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(N[6]C[6]N[6])(CH3)(O)	120.8930	0.000	1	120.8930	0.000	1	120.8930	0.000	1	120.8930	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:2:3:	3:3:4:1:	3:2:1:	C[6]-4:O[6]-2:C-3:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(O[6]C[6])(COO)	C[6](C[6]C[6]H)(N[6]O[6]C)(CH3)(H)	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[6]CH)(O[6]C[6])(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]O[6]C)(CH3)(H){1|C<4>,1|H<1>}	C(N[6]C[6]O[6])(OC)(O)	118.3540	0.000	1	118.3540	0.000	1	118.3540	0.000	1	118.3540	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:2:3:	3:4:3:1:	3:4:1:	C[6]-4:N[6]-2:C-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]C[5]H)(N[6]C[6])(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]N[6]C)(H)	C(N[6]C[6]N[6])(CH3)(O)	N[6](C[6]C[6,6a]C[5]H)(N[6]C[6])(CCO){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]N[6]C)(H){2|H<1>,5|C<3>}	C(N[6]C[6]N[6])(CH3)(O)	119.3120	0.000	1	119.3120	0.000	1	119.3120	0.000	1	119.1420	0.058	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:2:3:	3:4:3:1:	3:4:1:	C[6]-4:N[6]-2:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)(N[6]C[6])(CCO)	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])(CH3)(O)	N[6](C[6]C[6a]C[6]H)(N[6]C[6])(CCO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H){3|C<3>,4|H<1>}	C(N[6]C[6]N[6])(CH3)(O)	118.9720	0.000	1	118.9720	0.000	1	118.9720	0.000	1	119.1420	0.058	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:2:3:	4:3:1:1:	3:4:4:	C[6]-4:N[6]-2:C-3:	Si[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-4:	N[6](C[6]Si[6]HH)(N[6]C[6])(CCC)	C[6](Si[6]O[6]CC)(N[6]N[6]C)(H)2	C(N[6]C[6]N[6])(CCHH)2	N[6](C[6]Si[6]HH)(N[6]C[6])(CCC){1|C<3>,1|O<2>,2|C<4>}	C[6](Si[6]O[6]CC)(N[6]N[6]C)(H)2{1|C<3>}	C(N[6]C[6]N[6])(CCHH)2	124.6360	0.000	1	124.6360	0.000	1	124.6360	0.000	1	124.6360	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:2:3:	4:3:2:1:	3:3:1:	C[6]-4:N[6]-2:C-3:	C[6]-4:N[6]-3:O-2:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6]C[6]HO)(N[6]C[6])(CC[6a]O)	C[6](C[6]C[6]HH)(N[6]N[6]C)(OC)(H)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	N[6](C[6]C[6]HO)(N[6]C[6])(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]C)(OC)(H){1|C<3>,2|H<1>}	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	120.7570	0.000	1	120.7570	0.000	1	120.7570	0.000	1	120.7570	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:2:3:	4:3:2:1:	3:4:1:	C[6]-4:N[6]-2:C-3:	C[5,6]-4:N[6]-3:O-2:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5,6]HO)(N[6]C[5,6])(CCO)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]N[6]C)(OC)(H)	C(N[6]C[6]N[6])(CH3)(O)	N[6](C[6]C[5,6]HO)(N[6]C[5,6])(CCO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]N[6]C)(OC)(H){1|N<3>,4|C<3>}	C(N[6]C[6]N[6])(CH3)(O)	116.9680	0.000	1	116.9680	0.000	1	116.9680	0.000	1	116.9680	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:2:3:	4:3:3:1:	3:4:1:	C[6]-4:N[6]-2:C-3:	C[6]-4:C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]2H)(N[6]C[6])(CCO)	C[6](C[6]C[6]2H)(C[6]N[6]O)(N[6]N[6]C)(H)	C(N[6]C[6]N[6])(CCHH)(O)	N[6](C[6]C[6]2H)(N[6]C[6])(CCO){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]C[6]2H)(C[6]N[6]O)(N[6]N[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C(N[6]C[6]N[6])(CCHH)(O)	119.4720	0.000	1	119.4720	0.000	1	119.4720	0.000	1	119.4720	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:2:3:	4:3:3:2:	3:3:1:	C[6]-4:N[6]-2:C-3:	C[6]-4:N[6]-3:C-3:O-2:	N[6]-3:C[6a]-3:O-1:	N[6](C[6]C[6]CO)(N[6]C[6])(CC[6a]O)	C[6](C[6]C[6]HH)(N[6]N[6]C)(CCN)(OSi)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	N[6](C[6]C[6]CO)(N[6]C[6])(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]C)(CCN)(OSi){1|C<3>,2|H<1>}	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	120.5085	1.527	2	120.5085	2.331	2	120.5085	2.331	2	120.5085	2.331	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:2:3:	4:3:3:3:	3:3:1:	C[6]-4:N[6]-2:C-3:	C[6]-4:N[6]-3:C-3:N-3:	N[6]-3:N-3:O-1:	N[6](C[6]C[6]CN)(N[6]C[6])(CNO)	C[6](C[6]C[6]HH)(N[6]N[6]C)(COO)(NCH)	C(N[6]C[6]N[6])(NC[6a]H)(O)	N[6](C[6]C[6]CN)(N[6]C[6])(CNO){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]C)(COO)(NCH){1|H<1>,2|C<3>}	C(N[6]C[6]N[6])(NC[6a]H)(O)	117.1240	0.000	1	117.1240	0.000	1	117.1240	0.000	1	117.1240	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:2:3:	4:3:4:1:	3:3:1:	C[6]-4:N[6]-2:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6]C[6]CH)(N[6]C[6])(CC[6a]O)	C[6](C[6]C[6]HO)(N[6]N[6]C)(CCHH)(H)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	N[6](C[6]C[6]CH)(N[6]C[6])(CC[6a]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(N[6]N[6]C)(CCHH)(H){1|C<3>,2|H<1>}	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	119.8490	0.000	1	119.8490	0.000	1	119.8490	0.000	1	119.8490	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:1:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(COO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,4|C<3>}	C(N[6]C[6]2)(OC)(O)	117.5180	0.000	1	117.5180	0.000	1	117.5180	0.000	1	119.7272	2.817	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:1:1:	3:2:1:	C[6]-4:N[6]-3:C-3:	C[6]-3:N[6]-3:Br-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]BrH)(N[6]C[6]C)(COO)	C[6](C[6]C[6]O)(N[6]N[6]C)(Br)(H)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6]BrH)(N[6]C[6]C)(COO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)(N[6]N[6]C)(Br)(H){1|Br<1>,2|C<3>}	C(N[6]C[6]N[6])(OC)(O)	120.4680	0.000	1	120.4680	0.000	1	120.4680	0.000	1	119.7272	2.817	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:1:1:	3:2:1:	C[6]-4:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)(N[6]N[6]C)(COO)	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(H)2	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6]HH)(N[6]N[6]C)(COO){1|N<2>,2|C<3>}	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(H)2{1|N<3>,3|C<3>}	C(N[6]C[6]N[6])(OC)(O)	119.4760	0.000	1	119.4760	0.000	1	119.4760	0.000	1	119.7272	2.817	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:1:1:	3:2:1:	C[6]-4:N[6]-3:C-3:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]N[6]HH)(N[6]C[6]C)(COO)	C[6](N[6]C[6]O)(N[6]N[6]C)(H)2	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]N[6]HH)(N[6]C[6]C)(COO){1|O<1>,2|C<3>}	C[6](N[6]C[6]O)(N[6]N[6]C)(H)2{3|C<3>}	C(N[6]C[6]N[6])(OC)(O)	121.4470	0.000	1	121.4470	0.000	1	121.4470	0.000	1	119.7272	2.817	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NHO)(O)	N[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CNO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(N[6]C[6]2)(NHO)(O)	113.1300	0.000	1	113.1300	0.000	1	113.1300	0.000	1	113.1300	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:1:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,4|C<3>}	C(N[6]C[6]2)(CH3)(O)	119.7340	0.000	1	119.5760	0.050	2	119.5760	0.050	2	117.2610	10.803	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:1:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCO){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,4|C<3>}	C(N[6]C[6]2)(CH3)(O)	119.4180	0.000	1	119.5760	0.050	2	119.5760	0.050	2	117.2610	10.803	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:1:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCO)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCO){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	C(N[6]C[6]2)(CH3)(O)	114.9460	3.305	2	114.9460	10.923	2	114.9460	10.923	2	117.2610	10.803	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CC[6a]O)	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)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	116.3480	0.000	1	116.3480	0.000	1	116.3480	0.000	1	116.3480	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:2:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:N[6]-3:O[6]-2:C-4:	N[6]-3:C-3:O-1:	N[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(CCO)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(CH3)	C(N[6]C[6]2)(CC[6a]C)(O)	N[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(CCO){4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(CH3){1|O<1>,2|H<1>,4|C<3>}	C(N[6]C[6]2)(CC[6a]C)(O)	125.5780	0.000	1	125.5780	0.000	1	125.5780	0.000	1	125.5780	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(COO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C(N[6]C[6]2)(OC)(O)	115.9125	0.169	2	115.9125	0.029	2	115.9125	0.029	2	117.8330	6.330	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:C-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCN)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCN)(H){2|H<1>,3|C<3>}	C(N[6]C[6]2)(OC)(O)	121.2040	0.000	1	121.2040	0.000	1	119.7535	4.208	2	117.8330	6.330	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:C-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNP)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNP)(H){2|H<1>,3|C<3>}	C(N[6]C[6]2)(OC)(O)	118.3030	0.000	1	118.3030	0.000	1	119.7535	4.208	2	117.8330	6.330	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCC)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCH){1|H<1>,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<3>,1|O<1>,2|C<3>,2|H<1>}	C(N[6]C[6]2)(CCC)(H)	117.1090	0.000	1	117.1090	0.000	1	117.1090	0.000	1	118.7440	4.516	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|O<1>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	119.5615	2.241	2	119.5615	5.021	2	119.5615	5.021	2	118.7440	4.516	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCC)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCS)(COO)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCC){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H){1|S<2>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(CCS)(COO)	119.9810	0.000	1	119.9810	0.000	1	119.9810	0.000	1	118.4450	4.719	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CCC)	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCO)(COO)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CCC){5|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C(N[6]C[6]2)(CCO)(COO)	116.9090	0.000	1	116.9090	0.000	1	116.9090	0.000	1	118.4450	4.719	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(CCO)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(CCO){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){4|H<1>,6|C<3>}	C(N[6]C[6]2)(CH3)(O)	118.0870	0.000	1	118.0870	0.000	1	118.0870	0.000	1	118.3634	0.526	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(CCO)	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)(CH3)(O)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(CCO){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C(N[6]C[6]2)(CH3)(O)	118.7130	0.000	1	118.7130	0.000	1	118.7130	0.000	1	118.3634	0.526	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(CCO){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H){2|H<1>,5|C<3>}	C(N[6]C[6]2)(CH3)(O)	118.9000	0.000	1	118.9000	0.000	1	118.3390	0.953	3	118.3634	0.526	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCO){1|H<1>,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<3>,1|O<1>,2|C<3>,2|H<1>}	C(N[6]C[6]2)(CH3)(O)	118.9050	0.000	1	118.9050	0.000	1	118.3390	0.953	3	118.3634	0.526	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CCO){1|H<1>,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<3>,1|S<1>,2|C<3>,2|H<1>}	C(N[6]C[6]2)(CH3)(O)	117.2120	0.000	1	117.2120	0.000	1	118.3390	0.953	3	118.3634	0.526	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-2:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(CC)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]H)(COO){1|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)(CC){4|H<1>,5|C<3>}	C(N[6]C[6]2)(OC)(O)	116.9460	0.000	1	116.9460	0.000	1	116.9460	0.000	1	116.9460	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:4:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|H<1>,4|C<3>}	C(N[6]C[6]2)(OC)(O)	116.9950	0.000	1	116.9950	0.000	1	116.9950	0.000	1	120.1750	10.339	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:4:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|H<1>,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|H<1>}	C(N[6]C[6]2)(OC)(O)	121.5640	0.000	1	121.5640	0.000	1	122.3010	3.729	3	120.1750	10.339	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:4:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(N[6]C[6]2)(OC)(O)	120.8470	0.000	1	120.8470	0.000	1	122.3010	3.729	3	120.1750	10.339	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:4:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){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<3>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	124.4920	0.000	1	124.4920	0.000	1	122.3010	3.729	3	120.1750	10.339	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:4:1:	3:2:1:	C[6]-4:S[6]-3:C-3:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(S[6]C[6]O)(COO)	C[6](C[6]C[6]H)(N[6]S[6]C)(CH3)(H)	C(N[6]C[6]S[6])(OC)(O)	N[6](C[6]C[6]CH)(S[6]C[6]O)(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]S[6]C)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C(N[6]C[6]S[6])(OC)(O)	116.9770	0.000	1	116.9770	0.000	1	116.9770	0.000	1	120.1750	10.339	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	119.2930	0.000	1	119.7242	0.987	5	119.7242	0.987	5	120.0583	1.460	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|C<2>,1|C<3>,1|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	120.0250	1.279	3	119.7242	0.987	5	119.7242	0.987	5	120.0583	1.460	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	119.2530	0.000	1	119.7242	0.987	5	119.7242	0.987	5	120.0583	1.460	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:N[6]-3:C-3:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6]CH)(N[6]C[6]H)(CNO)	C[6](C[6]C[6]C)(N[6]N[6]C)(CH3)(H)	C(N[6]C[6]N[6])(NC[6a]H)(O)	N[6](C[6]C[6]CH)(N[6]C[6]H)(CNO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(N[6]N[6]C)(CH3)(H){1|C<4>,2|H<1>}	C(N[6]C[6]N[6])(NC[6a]H)(O)	121.7290	0.000	1	121.7290	0.000	1	121.7290	0.000	1	120.0583	1.460	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C-3:C-2:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]2H)(H)	C(N[6]C[6]2)(CC[6a]H)(CN)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]2H)(H){1|C<3>,2|H<1>}	C(N[6]C[6]2)(CC[6a]H)(CN)	116.6990	0.000	1	116.6990	0.000	1	116.6990	0.000	1	116.6990	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){2|H<1>,3|C<3>}	C(N[6]C[6]2)(CH3)(O)	118.9450	0.000	1	118.9450	0.000	1	118.8275	0.028	2	119.0100	1.106	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H){2|H<1>,3|C<3>}	C(N[6]C[6]2)(CH3)(O)	118.7100	0.000	1	118.7100	0.000	1	118.8275	0.028	2	119.0100	1.106	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|H<1>,2|C<3>}	C(N[6]C[6]2)(CH3)(O)	120.4490	0.000	1	120.4490	0.000	1	120.4490	0.000	1	119.0100	1.106	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:4:1:	3:4:1:	C[6]-4:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CCHH)(H)	C(N[6]C[6]N[6])(CH3)(O)	N[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(CCO){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CCHH)(H){1|H<1>,4|C<3>}	C(N[6]C[6]N[6])(CH3)(O)	117.9360	0.000	1	117.9360	0.000	1	117.9360	0.000	1	119.0100	1.106	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:3:4:2:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]CC)(C[6]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(CN)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]CC)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(CN){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	123.6070	0.000	1	123.6070	0.000	1	123.6070	0.000	1	123.6070	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]C)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC[6a])(O)	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]C)(N[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C(N[6]C[6]2)(OC[6a])(O)	115.7517	2.548	3	115.7517	6.494	3	115.7517	6.494	3	114.3850	6.767	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	112.3350	0.270	2	112.3350	0.073	2	112.3350	0.073	2	114.3850	6.767	5	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(CCO){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C(N[6]C[6]2)(CH3)(O)	117.9130	0.000	1	117.9130	0.000	1	117.7825	0.034	2	118.6527	2.289	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]C[5]H)(C[6]N[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6,6a]C[5]H)(C[6]N[6]H)(CCO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H){1|N<2>,3|H<1>,5|C<3>}	C(N[6]C[6]2)(CH3)(O)	117.6520	0.000	1	117.6520	0.000	1	117.7825	0.034	2	118.6527	2.289	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(CCO)	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)(CH3)(O)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(CCO){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H){2|H<1>,7|C<3>}	C(N[6]C[6]2)(CH3)(O)	120.3930	0.000	1	120.3930	0.000	1	120.3930	0.000	1	118.6527	2.289	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:4:3:3:	3:2:1:	C[6]-4:N[6]-3:C-3:	C[6a]-3:C[6]-4:N[6]-3:C-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(CHO)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(CHO){1|C<4>,3|C<3>,4|H<1>}	C(N[6]C[6]N[6])(OC)(O)	121.2220	0.000	1	121.2220	0.000	1	121.2220	0.000	1	121.2220	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]N[6]HO)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]C[6]C)(COO){1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[6]HO)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>}	C(N[6]C[6]2)(OC)(O)	119.8930	0.000	1	119.8930	0.000	1	119.7152	1.130	5	120.5104	2.720	7	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]N[6]C)(COO){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)(OC)(O)	120.1300	0.000	1	120.1300	0.000	1	119.7152	1.130	5	120.5104	2.720	7	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC[6a])(O)	N[6](C[6]C[6]HH)(C[6]N[6]C)(COO){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)(OC[6a])(O)	119.0290	0.000	1	119.0290	0.000	1	119.7152	1.130	5	120.5104	2.720	7	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)(C[6]N[6]N)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]N[6]N)(COO){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)(OC)(O)	118.3760	0.000	1	118.3760	0.000	1	119.7152	1.130	5	120.5104	2.720	7	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)(C[6]O[6]O)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]O[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<2>,2|O<1>}	C(N[6]C[6]2)(OC)(O)	121.1480	0.000	1	121.1480	0.000	1	119.7152	1.130	5	120.5104	2.720	7	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:1:1:	3:2:1:	C[6]-4:N[6]-3:C-3:	C[4,6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO)	C[6](C[4,6]C[4,6]C[4]H)(N[6]N[6]C)(H)2	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO){2|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(N[6]N[6]C)(H)2{1|C<3>,1|H<1>,4|C<4>}	C(N[6]C[6]N[6])(OC)(O)	121.8940	0.000	1	122.4985	0.731	2	122.4985	0.731	2	120.5104	2.720	7	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:1:1:	3:2:1:	C[6]-4:N[6]-3:C-3:	C[4,6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO)	C[6](C[4,6]C[4,6]C[4]H)(N[6]N[6]C)(H)2	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO){2|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(N[6]N[6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	C(N[6]C[6]N[6])(OC)(O)	123.1030	0.000	1	122.4985	0.731	2	122.4985	0.731	2	120.5104	2.720	7	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]O)(CC[5a]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)(C[6]N[6]O)(CC[5a]H){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>,1|O<1>,2|H<1>}	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(H)	122.8300	0.000	1	122.8300	0.000	1	122.8300	0.000	1	119.7212	39.410	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]SiH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O){1|Si<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]SiH)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	118.3860	0.000	1	118.3860	0.000	1	116.6867	2.743	3	119.7212	39.410	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O)	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)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O){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)(O)	116.5970	0.000	1	116.5970	0.000	1	116.6867	2.743	3	119.7212	39.410	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]O)	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)(O)	N[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]O){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>,1|S<1>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	115.0770	0.000	1	115.0770	0.000	1	116.6867	2.743	3	119.7212	39.410	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CNO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NCH)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CNO){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)(NCH)(O)	114.4630	0.000	1	114.4630	0.000	1	114.4630	0.000	1	119.7212	39.410	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:N[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]HH)(N[6]N[6]C)(H)2	C(C[6a]C[6a]N[6a])(N[6]C[6]N[6])(O)	N[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]C)(H)2{1|C<4>,3|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[6]N[6])(O)	130.9740	0.000	1	130.9740	0.000	1	130.9740	0.000	1	119.7212	39.410	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NAlC)(CH3)	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCN){1|Al<4>,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)(NAlC)(CH3)	120.5440	0.349	2	120.5440	0.122	2	120.5440	0.122	2	120.5440	0.122	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCO)	C[6](C[6,6]C[6]O[6]2)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCO){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(N[6]C[6]C)(H)2{2|O<1>,3|C<4>}	C(N[6]C[6]2)(CH3)(O)	115.7285	0.665	2	115.7285	0.443	2	115.7285	0.443	2	118.0083	15.814	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:1:1:	3:4:1:	C[6]-4:N[6]-3:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5,6]HH)(N[6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]C)(H)2	C(N[6]C[6]N[6])(CH3)(O)	N[6](C[6]C[5,6]HH)(N[6]C[6]H)(CCO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(N[6]C[6]N[6])(CH3)(O)	122.5680	0.000	1	122.5680	0.000	1	122.5680	0.000	1	118.0083	15.814	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-2:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC)(H){1|C<3>,1|H<1>,1|O<1>}	C(N[6]C[6]2)(OC)(O)	122.1490	0.000	1	122.1490	0.000	1	120.1525	7.972	2	120.1525	7.972	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-2:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC)(H){1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	118.1560	0.000	1	118.1560	0.000	1	120.1525	7.972	2	120.1525	7.972	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:2:1:	3:3:2:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-2:H-1:	C[6a]-3:N[6]-3:N-2:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	117.6980	0.000	1	117.6980	0.000	1	117.6980	0.000	1	117.6980	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,1|O<2>,3|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(N[6]C[6]2)(OC)(O)	113.2730	0.000	1	113.8055	0.567	2	113.8055	0.567	2	115.7107	11.173	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){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(N[6]C[6]2)(OC)(O)	114.3380	0.000	1	113.8055	0.567	2	113.8055	0.567	2	115.7107	11.173	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:3:1:	3:2:1:	C[6]-4:N[6]-3:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(N[6]C[6]C)(COO)	C[6](C[6]C[6]HH)(N[6]N[6]C)(CC[6a]C)(H)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6]CH)(N[6]C[6]C)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]C)(CC[6a]C)(H){1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]N[6])(OC)(O)	119.5210	0.000	1	119.5210	0.000	1	119.5210	0.000	1	115.7107	11.173	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[4,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:C-3:	N[6](C[6]C[4,6]C[6a]H)(C[6]C[6a]C[6])(CC[6a]C)	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	N[6](C[6]C[4,6]C[6a]H)(C[6]C[6a]C[6])(CC[6a]C){1|C<4>,2|H<1>,5|C<3>}	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<3>,2|H<1>,6|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	116.3790	0.000	1	116.3790	0.000	1	116.3790	0.000	1	116.3790	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]HW)(N[6]C[6]C)(CCC)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HW)(N[6]C[6]C)(CCC)(H){1|C<3>,2|H<1>}	C(N[6]C[6]2)(CH3)(O)	118.4120	0.000	1	118.4120	0.000	1	118.6390	0.103	2	118.6390	0.103	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]HW)(N[6]C[6]C)(CNO)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HW)(N[6]C[6]C)(CNO)(H){1|C<3>,2|H<1>}	C(N[6]C[6]2)(CH3)(O)	118.8660	0.000	1	118.8660	0.000	1	118.6390	0.103	2	118.6390	0.103	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5,6]CH)(C[6]O[6]O)(COO)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(CCHO)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,6]CH)(C[6]O[6]O)(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(CCHO)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(N[6]C[6]2)(OC)(O)	119.6890	0.000	1	119.6890	0.000	1	119.6890	0.000	1	118.8848	12.945	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	C(N[6]C[6]2)(OC[6])(O)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|Si<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6]HH)(H){1|C<3>,1|H<1>,1|O<1>}	C(N[6]C[6]2)(OC[6])(O)	123.6550	0.000	1	123.6550	0.000	1	118.7240	15.987	5	118.8848	12.945	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>}	C(N[6]C[6]2)(OC)(O)	120.3850	0.205	2	118.4857	10.843	3	118.7240	15.987	5	118.8848	12.945	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(N[6]C[6]2)(OC)(O)	114.6870	0.000	1	118.4857	10.843	3	118.7240	15.987	5	118.8848	12.945	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCl3)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCl3)(H){1|O<1>,2|C<3>}	C(N[6]C[6]2)(OC)(O)	114.5080	0.000	1	114.5080	0.000	1	118.7240	15.987	5	118.8848	12.945	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O)	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)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	117.6260	0.000	1	117.6260	0.000	1	117.6260	0.000	1	117.6260	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:4:1:	3:3:2:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:N-2:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N)	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)(NC)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N){1|C<3>,1|I<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	120.5280	0.967	2	120.5280	0.936	2	120.5280	0.936	2	120.5280	0.936	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:4:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]HW)(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HW)(N[6]C[6]C)(CCHH)(H){1|C<3>,2|H<1>}	C(N[6]C[6]2)(CH3)(O)	118.5273	0.603	3	118.5273	0.364	3	117.2910	2.256	6	117.2910	2.256	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:4:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]O[6]O)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H)	C(N[6]C[6]2)(CCCH)(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(CCO){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H){1|O<1>,1|O<2>,2|C<4>}	C(N[6]C[6]2)(CCCH)(O)	116.0547	0.831	3	116.0547	0.690	3	117.2910	2.256	6	117.2910	2.256	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]2H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]2H)(C[6]C[6]O)(COO){4|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C(N[6]C[6]2)(OC)(O)	119.9560	0.000	1	119.9560	0.000	1	119.9560	0.000	1	119.9560	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:2:4:4:	3:2:1:	C[6]-4:C[6]-4:C-3:	N[6]-3:O[6]-2:C-4:C-4:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)	C[6](N[6]C[6]C)(O[6]C[6])(CH3)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]O[6]CC)(COO){1|C<4>,1|H<1>,1|O<2>}	C[6](N[6]C[6]C)(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	120.5730	0.000	1	120.5730	0.000	1	120.5730	0.000	1	120.5730	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:H-1:O-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(N[6]C[5,6]C[6])(H)(O)	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(N[6]C[5,6]C[6])(H)(O)	121.8390	0.000	1	121.8390	0.000	1	121.8390	0.000	1	121.8390	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:2:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(COO)	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])(OC)(O)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(COO){5|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2{1|H<1>,1|O<2>,4|C<3>}	C(N[6]C[6,6]C[6])(OC)(O)	118.5470	0.000	1	118.5470	0.000	1	118.5470	0.000	1	119.2616	5.585	14	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:2:1:	C[6,6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(COO){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C)(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])(OC)(O)	124.6180	0.000	1	124.6180	0.000	1	124.6180	0.000	1	119.2616	5.585	14	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){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<4>,1|N<2>,2|H<1>,2|N<3>}	C(N[6]C[6]2)(OC)(O)	118.5720	0.000	1	120.8845	10.695	2	120.2600	6.518	3	119.2616	5.585	14	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){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<4>,1|O<1>,2|H<1>,2|N<3>}	C(N[6]C[6]2)(OC)(O)	123.1970	0.000	1	120.8845	10.695	2	120.2600	6.518	3	119.2616	5.585	14	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){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)(OC)(O)	119.0110	0.000	1	119.0110	0.000	1	120.2600	6.518	3	119.2616	5.585	14	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(COO){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)(OC)(O)	118.8730	0.356	2	118.8730	0.127	2	118.5515	0.609	4	119.2616	5.585	14	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO){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<3>,1|C<4>,2|H<1>,2|N<2>}	C(N[6]C[6]2)(OC)(O)	119.0320	0.000	1	118.2300	1.286	2	118.5515	0.609	4	119.2616	5.585	14	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO){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>,1|N<2>,2|C<3>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	117.4280	0.000	1	118.2300	1.286	2	118.5515	0.609	4	119.2616	5.585	14	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO)	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO){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)(CC)(O)	116.7550	0.000	1	116.7550	0.000	1	116.7550	0.000	1	119.2616	5.585	14	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]O)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	117.1260	0.000	1	117.1260	0.000	1	118.6893	5.313	4	119.2616	5.585	14	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){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<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	117.0170	0.000	1	117.0170	0.000	1	118.6893	5.313	4	119.2616	5.585	14	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|P<4>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	121.9600	0.000	1	121.9600	0.000	1	118.6893	5.313	4	119.2616	5.585	14	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	118.6540	0.000	1	118.6540	0.000	1	118.6893	5.313	4	119.2616	5.585	14	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:S-2:S-2:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSS)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SNi)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSS){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)(SNi)2	122.9770	0.000	1	122.9770	0.000	1	122.9770	0.000	1	122.9770	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:3:1:	C[5,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:O-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(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	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(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	124.4880	0.000	1	124.4880	0.000	1	124.2585	0.105	2	121.8694	18.078	23	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:3:1:	C[5,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:O-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(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	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(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	124.0290	0.000	1	124.0290	0.000	1	124.2585	0.105	2	121.8694	18.078	23	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:H-1:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CNO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CNO){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<2>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(NC[6a]H)(O)	122.5890	0.000	1	122.5890	0.000	1	122.5890	0.000	1	121.8694	18.078	23	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O)	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)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O){1|F<1>,1|H<1>,2|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)(O)	123.9990	0.000	1	121.6150	11.367	2	121.6150	11.367	2	121.8694	18.078	23	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O)	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)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O){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)(O)	119.2310	0.000	1	121.6150	11.367	2	121.6150	11.367	2	121.8694	18.078	23	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[5]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[5]C[5]2)(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[5]O){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[5]C[5]2)(N[6]C[6]2)(O)	112.6420	0.000	1	112.6420	0.000	1	112.6420	0.000	1	121.8694	18.078	23	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[5a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[5a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[5a]C[5a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[5a]O){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[5a]C[5a]2)(N[6]C[6]2)(O)	126.4800	0.000	1	126.4800	0.000	1	126.4800	0.000	1	121.8694	18.078	23	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-3:S-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCS)	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]O)(S)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCS){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)(CC[6a]O)(S)	119.6740	0.000	1	119.6740	0.000	1	119.6740	0.000	1	121.8694	18.078	23	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NCH)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CNO){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)(NCH)(O)	116.0110	1.925	2	116.0110	3.705	2	116.0110	3.705	2	121.8694	18.078	23	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:N-3:Se-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSeN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6]H)(Se)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSeN){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)(NC[6]H)(Se)	124.0020	0.000	1	124.0020	0.000	1	124.0020	0.000	1	121.8694	18.078	23	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)2(S)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[6]S){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)2(S)	122.8900	0.000	1	122.8900	0.000	1	122.8900	0.000	1	121.8694	18.078	23	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	119.0650	0.000	1	119.0650	0.000	1	119.0650	0.000	1	121.8694	18.078	23	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-3:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6]HH)2(CCO){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)(O)	123.5718	4.079	6	123.5718	16.641	6	123.5718	16.641	6	121.8694	18.078	23	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(CNO){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)(NC[6a]H)(O)	122.6137	4.978	4	122.6137	24.783	4	122.6137	24.783	4	121.8694	18.078	23	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	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(N[6]C[5,6]C[6])(CH3)(O)	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(N[6]C[5,6]C[6])(CH3)(O)	118.5250	0.000	1	118.5250	0.000	1	118.5250	0.000	1	122.3617	9.061	27	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	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(N[6]C[5,6]C[6])(CH3)(O)	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(N[6]C[5,6]C[6])(CH3)(O)	123.0100	0.000	1	123.0100	0.000	1	123.0100	0.000	1	122.3617	9.061	27	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:4:1:	C[6]-4:C[6,6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(CCO)	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])(CH3)(O)	N[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(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[6,6]C)(H)2{1|H<1>,2|C<4>,3|C<3>}	C(N[6]C[6,6]C[6])(CH3)(O)	122.6250	0.000	1	122.6250	0.000	1	122.6250	0.000	1	122.3617	9.061	27	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CClHH)(O)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCO){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)(CClHH)(O)	120.2880	0.000	1	120.2880	0.000	1	119.5130	0.480	4	122.3617	9.061	27	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[6]HH)(O)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCO){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)(CN[6]HH)(O)	119.2547	0.566	3	119.2547	0.320	3	119.5130	0.480	4	122.3617	9.061	27	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHN)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCO){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)(CCHN)(O)	126.2580	0.000	1	126.2580	0.000	1	121.8710	38.492	2	122.3617	9.061	27	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CClHH)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO){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)(CClHH)(O)	117.4840	0.000	1	117.4840	0.000	1	121.8710	38.492	2	122.3617	9.061	27	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO){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(N[6]C[6]2)(CCHH)(O)	124.7215	1.532	2	124.7215	2.348	2	122.7893	4.692	6	122.3617	9.061	27	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(O)	N[6](C[6]C[6]HH)2(CCO){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)(O)	121.8233	1.818	4	121.8233	3.304	4	122.7893	4.692	6	122.3617	9.061	27	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO){1|Cu<4>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	C(N[6]C[6]2)(CH3)(O)	122.8872	3.330	4	123.6216	9.227	8	123.6216	9.227	8	122.3617	9.061	27	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO){1|Mo<9>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	C(N[6]C[6]2)(CH3)(O)	126.2080	0.027	2	123.6216	9.227	8	123.6216	9.227	8	122.3617	9.061	27	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO){1|Pt<4>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	C(N[6]C[6]2)(CH3)(O)	122.5040	3.646	2	123.6216	9.227	8	123.6216	9.227	8	122.3617	9.061	27	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCO)	C[6](N[6]C[6]C)2(H)2	C(N[6]C[6]2)(CCHH)(O)	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCO){1|C<3>,1|C<4>,2|O<2>}	C[6](N[6]C[6]C)2(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(CCHH)(O)	122.6310	4.656	2	122.6310	21.675	2	123.0260	14.631	4	122.3617	9.061	27	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]N[6]HH)2(CCO)	C[6](N[6]C[6]C)(N[6]C[6]N)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]N[6]HH)2(CCO){1|C<4>,2|N<3>}	C[6](N[6]C[6]C)(N[6]C[6]N)(H)2{1|N<3>,4|H<1>}	C(N[6]C[6]2)(CH3)(O)	123.4210	4.647	2	123.4210	21.596	2	123.0260	14.631	4	122.3617	9.061	27	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[5]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[5]O)	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)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[5]O){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)(O)	116.6850	0.000	1	116.6850	0.000	1	116.6850	0.000	1	121.2785	42.200	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6]O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	C(C[6]C[6]2H)(N[6]C[6]2)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6]O){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[6]C[6]2H)(N[6]C[6]2)(O)	125.8720	0.000	1	125.8720	0.000	1	125.8720	0.000	1	121.2785	42.200	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:2:1:	3:2:1:	C[5,6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:O-2:H-1:	N[6]-3:O-2:O-1:	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(N[6]C[5,6]C[6])(OC)(O)	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(N[6]C[5,6]C[6])(OC)(O)	118.2620	0.000	1	118.2620	0.000	1	118.2620	0.000	1	119.3210	2.243	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:2:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-2:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	C(N[6]C[6]2)(OC[6])(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO){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(N[6]C[6]2)(OC[6])(O)	120.3800	0.000	1	120.3800	0.000	1	120.3800	0.000	1	119.3210	2.243	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:O-2:H-1:	C[5]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CC[5]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OC)(H)	C(C[5]C[5]2)(N[6]C[6]2)(O)	N[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CC[5]O){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]2)(N[6]C[6]2)(O)	119.5140	0.000	1	119.5140	0.000	1	119.5140	0.000	1	119.6165	0.021	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[5]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(H)	C(C[5]C[5]2)(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[5]O){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]2)(N[6]C[6]2)(O)	119.7190	0.000	1	119.7190	0.000	1	119.7190	0.000	1	119.6165	0.021	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:2:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-2:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	C(N[6]C[6]2)(CCCH)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){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(N[6]C[6]2)(CCCH)(O)	117.3915	1.186	2	117.3915	1.406	2	117.3915	1.406	2	117.3915	1.406	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(COO){1|N<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	119.7200	0.000	1	119.7200	0.000	1	119.7200	0.000	1	121.7055	7.884	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(COO){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	123.6910	0.000	1	123.6910	0.000	1	123.6910	0.000	1	121.7055	7.884	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:C[5a]-3:N[6]-3:H-1:	N[6]-3:C-3:O-1:	N[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]CH)(CCO)	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]O[5a])(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]CH)(CCO){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]O[5a])(N[6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	C(N[6]C[6]2)(CCH)(O)	124.0800	0.000	1	124.0800	0.000	1	124.0800	0.000	1	120.8076	6.178	7	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]O)	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)(O)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]O){1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(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)(O)	119.3720	0.000	1	119.3720	0.000	1	119.3720	0.000	1	120.8076	6.178	7	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[5]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CC[5]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(C[5]C[5,6a]C[5])(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CC[5]H){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|C<3>,5|H<1>}	C(C[5]C[5,6a]C[5])(N[6]C[6]2)(H)	120.1790	0.000	1	120.1790	0.000	1	120.1790	0.000	1	120.8076	6.178	7	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	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)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	121.4840	0.000	1	121.4840	0.000	1	119.3307	3.488	3	120.8076	6.178	7	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)2(CC[6a]O)	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)(O)	N[6](C[6]C[6a]C[6]H)2(CC[6a]O){2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	118.2540	0.146	2	118.2540	0.021	2	119.3307	3.488	3	120.8076	6.178	7	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:N[6]-3:N[6]-3:H-1:	N[6]-3:C-3:O-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CCO)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CCO){3|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>,1|O<1>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(CCH)(O)	124.0300	0.000	1	124.0300	0.000	1	124.0300	0.000	1	120.8076	6.178	7	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6a]C[6]H)2(CCC)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6a]C[6]H)2(CCC){2|H<1>,6|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<3>,1|O<2>,2|H<1>,3|C<3>}	C(N[6]C[6]2)(CCH)(COO)	121.4850	0.000	1	121.4850	0.000	1	121.4850	0.000	1	121.4850	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:C-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CCO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(COO)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CCO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(CH3)(O)	113.3340	0.000	1	113.3340	0.000	1	113.3340	0.000	1	117.0817	2.483	9	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(CCO)	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)(CH3)(O)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(CCO){2|H<1>,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|C<4>,1|N<2>,4|C<3>,4|H<1>}	C(N[6]C[6]2)(CH3)(O)	117.4210	1.093	2	117.4210	1.195	2	117.4210	1.195	2	117.0817	2.483	9	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(CH3)(O)	118.7990	0.000	1	118.7990	0.000	1	117.5932	0.564	6	117.0817	2.483	9	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CN[5a]HH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(CN[5a]HH)(O)	116.8310	0.000	1	116.8310	0.000	1	117.5932	0.564	6	117.0817	2.483	9	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CN[6]CH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(CN[6]CH)(O)	117.8490	0.406	2	117.8490	0.165	2	117.5932	0.564	6	117.0817	2.483	9	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CN[6]HH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(CN[6]HH)(O)	117.1155	0.185	2	117.1155	0.034	2	117.5932	0.564	6	117.0817	2.483	9	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CC[6a]O)	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)(O)	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CC[6a]O){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)(COO){1|C<4>,4|C<3>,5|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	119.7330	0.000	1	119.7330	0.000	1	119.7330	0.000	1	119.7330	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:4:1:	3:2:1:	C[5,6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	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(N[6]C[5,6]C[6])(OC)(O)	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(N[6]C[5,6]C[6])(OC)(O)	119.8210	0.000	1	119.8210	0.000	1	119.8210	0.000	1	120.6335	10.708	8	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO){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(N[6]C[6]2)(OC)(O)	124.4600	0.000	1	124.4600	0.000	1	124.4600	0.000	1	120.6335	10.708	8	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO)	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(CC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO){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(N[6]C[6]2)(CC)(O)	118.0980	0.000	1	118.0980	0.000	1	118.0980	0.000	1	120.6335	10.708	8	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	124.5170	0.000	1	124.5170	0.000	1	120.5378	13.294	5	120.6335	10.708	8	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	123.2270	0.000	1	123.2270	0.000	1	120.5378	13.294	5	120.6335	10.708	8	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)2(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(OC[6])(O)	N[6](C[6]C[6]CH)2(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H){2|C<4>,2|H<1>}	C(N[6]C[6]2)(OC[6])(O)	121.4990	0.000	1	121.4990	0.000	1	120.5378	13.294	5	120.6335	10.708	8	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]MoH)(C[6]C[6]CH)(COO)	C[6](C[6]C[6]O)(N[6]C[6]C)(CCHO)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]MoH)(C[6]C[6]CH)(COO){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)(N[6]C[6]C)(CCHO)(H){1|Mo<8>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	116.9250	0.000	1	116.9250	0.000	1	120.5378	13.294	5	120.6335	10.708	8	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)	C[6](C[6]O[6]O)(N[6]C[6]C)(CC[6a]HO)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]O[6]O)(N[6]C[6]C)(CC[6a]HO)(H){1|C<3>,1|C<4>,1|H<1>}	C(N[6]C[6]2)(OC)(O)	116.5210	0.000	1	116.5210	0.000	1	120.5378	13.294	5	120.6335	10.708	8	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CC[6a]O)	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]C)(CC3)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CC[6a]O){1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]C)(CC3)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	117.6610	0.000	1	117.6610	0.000	1	117.6610	0.000	1	120.3780	6.311	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:C-4:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CNO)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(NCC)(O)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CNO){1|C<3>,1|S<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(N[6]C[6]2)(NCC)(O)	122.0160	0.000	1	122.0160	0.000	1	122.0160	0.000	1	120.3780	6.311	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]O){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	118.8820	0.000	1	118.8820	0.000	1	118.8820	0.000	1	120.3780	6.311	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(NCC)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CNO){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(N[6]C[6]2)(NCC)(O)	122.9530	0.000	1	122.9530	0.000	1	122.9530	0.000	1	120.3780	6.311	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:C-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCO)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(CCHH)(O)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCO){1|C<3>,1|S<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(N[6]C[6]2)(CCHH)(O)	124.7270	0.000	1	124.7270	0.000	1	124.7270	0.000	1	124.4507	13.428	8	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(CCHH)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){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(N[6]C[6]2)(CCHH)(O)	126.3355	1.336	2	126.3355	1.784	2	125.0746	11.894	5	124.4507	13.428	8	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	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)(CClHH)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){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)(CClHH)(O)	126.8285	0.323	2	126.8285	0.104	2	125.0746	11.894	5	124.4507	13.428	8	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H)	C(N[6]C[6]2)(CClHH)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6]2)(CClHH)(O)	119.0450	0.000	1	119.0450	0.000	1	125.0746	11.894	5	124.4507	13.428	8	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(CHHN)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(N[6]C[6]2)(CHHN)(O)	122.7530	6.215	2	122.7530	38.632	2	122.7530	38.632	2	124.4507	13.428	8	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:4:2:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:C-4:C-2:	N[6]-3:O-2:O-1:	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CC[6a]HH)(CN)	C(N[6]C[6]2)(OC[6a])(O)	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CC[6a]HH)(CN){2|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(OC[6a])(O)	117.0530	0.119	2	117.0530	0.014	2	117.0530	0.014	2	116.7890	0.119	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:4:2:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-4:C-2:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(CN)	C(N[6]C[6]2)(OC[6])(O)	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(CN){1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6]2)(OC[6])(O)	116.5250	0.250	2	116.5250	0.063	2	116.5250	0.063	2	116.7890	0.119	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:4:2:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-4:C-2:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(CN)	C(N[6]C[6]2)(CCCH)(O)	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(CN){1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6]2)(CCCH)(O)	117.0895	0.252	2	117.0895	0.064	2	117.0895	0.064	2	117.0895	0.064	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:4:3:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:C-4:C-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO){1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	115.5040	0.000	1	115.5040	0.000	1	115.5040	0.000	1	115.5040	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:4:4:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-3:N[6]-3:C-4:C-4:	N[6]-3:O-2:O-1:	N[6](C[6]C[5,6]CC)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]C)(CCHH)(CH3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,6]CC)(C[6]C[6]HH)(COO){1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]C)(CCHH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	119.4580	0.000	1	119.4580	0.000	1	119.4580	0.000	1	119.4580	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:4:4:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-4:C-4:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(CH3)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6]2)(CH3)(O)	121.6810	0.000	1	121.6810	0.000	1	121.6810	0.000	1	121.6810	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:1:1:	3:2:1:	C[5,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:O-2:O-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(N[6]C[5,6]C[6])(OC)(O)	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(N[6]C[5,6]C[6])(OC)(O)	118.5920	0.000	1	118.5920	0.000	1	120.2040	3.968	3	120.2040	3.968	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:1:1:	3:2:1:	C[5,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:O-2:O-1:	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(N[6]C[5,6]C[6])(OC)(O)	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(N[6]C[5,6]C[6])(OC)(O)	121.0100	2.010	2	121.0100	4.038	2	120.2040	3.968	3	120.2040	3.968	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:1:1:	3:3:1:	C[3x6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]O)	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2	C(N[6]C[3x6]C[6])(C[6a]C[6a]2)(O)	N[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]O){1|C<3>,4|C<4>,5|H<1>}	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(N[6]C[3x6]C[6])(C[6a]C[6a]2)(O)	119.2670	0.576	2	119.2670	0.331	2	119.2670	0.331	2	120.4833	5.293	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:O-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(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	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(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	124.2680	0.000	1	124.2680	0.000	1	120.6837	9.849	3	120.4833	5.293	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:O-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(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	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(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	118.8915	0.654	2	118.8915	0.428	2	120.6837	9.849	3	120.4833	5.293	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O)	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)(O)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O){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])(C[6a]C[6a]2)(O)	122.3150	0.000	1	122.3150	0.000	1	122.3150	0.000	1	120.4833	5.293	6	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:O-1:	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(N[6]C[5,6,6]C[6])(CH3)(O)	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(N[6]C[5,6,6]C[6])(CH3)(O)	122.1480	0.000	2	122.1480	0.000	2	122.1480	0.000	2	123.0339	2.135	7	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:O-1:	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(N[6]C[5,6]C[6])(CF3)(O)	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(N[6]C[5,6]C[6])(CF3)(O)	123.3510	0.000	1	123.3510	0.000	1	123.4157	2.375	3	123.0339	2.135	7	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:O-1:	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(N[6]C[5,6]C[6])(CH3)(O)	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(N[6]C[5,6]C[6])(CH3)(O)	121.9080	0.000	1	121.9080	0.000	1	123.4157	2.375	3	123.0339	2.135	7	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:O-1:	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(N[6]C[5,6]C[6])(CCl2H)(O)	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(N[6]C[5,6]C[6])(CCl2H)(O)	124.9880	0.000	1	124.9880	0.000	1	123.4157	2.375	3	123.0339	2.135	7	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C(N[6]C[6,6]C[6])(CH3)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO){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])(CH3)(O)	121.6360	0.000	1	121.6360	0.000	1	123.3470	5.855	2	123.0339	2.135	7	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2	C(N[6]C[6,6]C[6])(CC[6a]HH)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO){1|N<3>,1|O<2>,2|C<4>,4|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])(CC[6a]HH)(O)	125.0580	0.000	1	125.0580	0.000	1	123.3470	5.855	2	123.0339	2.135	7	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:O-1:	N[6](C[6]C[6a]C[6]H)2(CHO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C(N[6]C[6]2)(H)(O)	N[6](C[6]C[6a]C[6]H)2(CHO){2|C<4>,2|H<1>,5|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<1>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(H)(O)	119.1710	0.185	2	119.1710	0.034	2	119.0072	1.768	12	119.0072	1.768	12	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:O-1:	N[6](C[6]C[6a]C[6]H)2(CHO)	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)(O)	N[6](C[6]C[6a]C[6]H)2(CHO){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)(O)	119.5310	0.419	3	119.3976	4.313	5	119.0072	1.768	12	119.0072	1.768	12	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:O-1:	N[6](C[6]C[6a]C[6]H)2(CHO)	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)(O)	N[6](C[6]C[6a]C[6]H)2(CHO){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>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(H)(O)	119.1975	4.095	2	119.3976	4.313	5	119.0072	1.768	12	119.0072	1.768	12	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:O-1:	N[6](C[6]C[6a]C[6]H)2(CHO)	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)(O)	N[6](C[6]C[6a]C[6]H)2(CHO){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)(O)	118.5700	0.377	3	118.5512	0.077	5	119.0072	1.768	12	119.0072	1.768	12	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:1:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:H-1:O-1:	N[6](C[6]C[6a]C[6]H)2(CHO)	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)(O)	N[6](C[6]C[6a]C[6]H)2(CHO){2|C<4>,2|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)(O)	118.5230	0.140	2	118.5512	0.077	5	119.0072	1.768	12	119.0072	1.768	12	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:2:1:	C[6,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:C-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(COO)(H)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO){3|C<4>,5|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(COO)(H){2|C<4>,3|H<1>}	C(N[6]C[6,6]C[6])(OC)(O)	118.5070	4.917	2	118.5070	24.179	2	118.5070	24.179	2	121.1885	8.881	17	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO){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(N[6]C[6]2)(CC)(O)	125.4460	0.000	1	125.4460	0.000	1	125.2880	0.050	2	121.1885	8.881	17	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO){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)(CC)(O)	125.1300	0.000	1	125.1300	0.000	1	125.2880	0.050	2	121.1885	8.881	17	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO){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){2|C<3>,3|C<4>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	122.5210	1.830	2	122.1883	2.006	3	120.9703	5.771	13	121.1885	8.881	17	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO){3|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|H<1>,3|C<4>}	C(N[6]C[6]2)(OC)(O)	121.5230	0.000	1	122.1883	2.006	3	120.9703	5.771	13	121.1885	8.881	17	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C(N[6]C[6]2)(OC)(O)	119.5300	0.297	2	121.3356	3.418	5	120.9703	5.771	13	121.1885	8.881	17	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C(N[6]C[6]2)(OC)(O)	123.2115	0.076	2	121.3356	3.418	5	120.9703	5.771	13	121.1885	8.881	17	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){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){2|C<3>,2|C<4>,5|H<1>}	C(N[6]C[6]2)(OC)(O)	121.1950	0.000	1	121.3356	3.418	5	120.9703	5.771	13	121.1885	8.881	17	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C(N[6]C[6]2)(OC)(O)	124.2750	0.000	1	124.2750	0.000	1	120.9703	5.771	13	121.1885	8.881	17	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)2(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)2(COO){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(N[6]C[6]2)(OC)(O)	121.0400	0.000	1	121.0400	0.000	1	120.9703	5.771	13	121.1885	8.881	17	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)2(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)2(COO){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(N[6]C[6]2)(OC)(O)	116.4080	0.000	1	118.0187	4.691	3	120.9703	5.771	13	121.1885	8.881	17	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)2(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)2(COO){4|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)(OC)(O)	118.8240	2.343	2	118.0187	4.691	3	120.9703	5.771	13	121.1885	8.881	17	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[5a]C[6]H)2(CC[6a]O)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[5a]C[6]H)2(CC[6a]O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(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)(O)	118.4660	0.000	1	118.4660	0.000	1	120.7495	10.429	2	120.3848	9.826	19	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[5a]C[6]H)2(CC[6a]O)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[5a]C[6]H)2(CC[6a]O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[5a]C[5a]O[5a])(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)(O)	123.0330	0.000	1	123.0330	0.000	1	120.7495	10.429	2	120.3848	9.826	19	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CC[6a]O)	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)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CC[6a]O){2|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>,2|C<3>,6|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	123.8760	0.000	1	123.8760	0.000	1	120.8331	8.218	11	120.3848	9.826	19	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]O)	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)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]O){1|C<4>,2|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)(O)	123.6290	0.000	1	123.6290	0.000	1	120.8331	8.218	11	120.3848	9.826	19	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	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)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	118.2800	0.000	1	118.5020	0.099	2	120.8331	8.218	11	120.3848	9.826	19	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	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)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	118.7240	0.000	1	118.5020	0.099	2	120.8331	8.218	11	120.3848	9.826	19	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	117.0650	0.000	1	117.0650	0.000	1	120.8331	8.218	11	120.3848	9.826	19	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)2(CC[6a]O)	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)(O)	N[6](C[6]C[6a]C[6]H)2(CC[6a]O){2|C<4>,2|H<1>,5|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<1>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	118.4020	0.000	1	118.4020	0.000	1	120.8331	8.218	11	120.3848	9.826	19	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)2(CC[6a]O)	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)(O)	N[6](C[6]C[6a]C[6]H)2(CC[6a]O){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(C[6a]C[6a]2)(N[6]C[6]2)(O)	122.1180	0.000	1	122.1180	0.000	1	120.8331	8.218	11	120.3848	9.826	19	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)2(CC[6a]O)	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)(O)	N[6](C[6]C[6a]C[6]H)2(CC[6a]O){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(C[6a]C[6a]2)(N[6]C[6]2)(O)	117.7960	0.000	1	121.7675	9.630	4	120.8331	8.218	11	120.3848	9.826	19	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)2(CC[6a]O)	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)(O)	N[6](C[6]C[6a]C[6]H)2(CC[6a]O){2|C<4>,2|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(C[6a]C[6a]2)(N[6]C[6]2)(O)	120.9900	0.000	1	121.7675	9.630	4	120.8331	8.218	11	120.3848	9.826	19	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)2(CC[6a]O)	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)(O)	N[6](C[6]C[6a]C[6]H)2(CC[6a]O){2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	124.1420	1.112	2	121.7675	9.630	4	120.8331	8.218	11	120.3848	9.826	19	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-3:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(CCH)(O)	119.5950	6.616	2	119.5950	43.767	2	119.7007	21.497	4	120.3848	9.826	19	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-3:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CC[6a]C)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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)(CC[6a]C)(O)	116.5910	0.000	1	116.5910	0.000	1	119.7007	21.497	4	120.3848	9.826	19	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-3:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CC[6a]C)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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)(CC[6a]C)(O)	123.0220	0.000	1	123.0220	0.000	1	119.7007	21.497	4	120.3848	9.826	19	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6a]C[6]H)2(CNO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[6a]C[6]H)2(CNO){2|C<4>,2|H<1>,5|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<1>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(NC[6a]H)(O)	116.5630	0.000	1	116.5630	0.000	1	118.9230	11.139	2	120.3848	9.826	19	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6a]C[6]H)2(CNO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[6a]C[6]H)2(CNO){2|C<4>,2|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)(NC[6a]H)(O)	121.2830	0.000	1	121.2830	0.000	1	118.9230	11.139	2	120.3848	9.826	19	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6a]C[6]H)2(CCC)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6a]C[6]H)2(CCC){2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C(N[6]C[6]2)(CCH)(COO)	118.5080	0.000	1	118.5080	0.000	1	118.5080	0.000	1	118.5080	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[5a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5a]C[6]H)2(CCO)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[5a]C[6]H)2(CCO){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[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)(CH3)(O)	123.3170	0.000	1	122.0953	8.412	3	121.0143	10.283	4	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[5a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5a]C[6]H)2(CCO)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[5a]C[6]H)2(CCO){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[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)(CH3)(O)	121.4845	3.819	2	122.0953	8.412	3	121.0143	10.283	4	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[5a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5a]C[6]H)2(CCO)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[5a]C[6]H)2(CCO){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(N[6]C[6]2)(CH3)(O)	117.7710	0.000	1	117.7710	0.000	1	121.0143	10.283	4	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO)	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)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO){2|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>,3|C<3>,5|H<1>}	C(N[6]C[6]2)(CH3)(O)	123.1120	0.000	1	123.1120	0.000	1	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCl2H)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,2|H<1>,5|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<1>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(CCl2H)(O)	116.7420	0.069	2	116.7420	0.005	2	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CClHH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,2|H<1>,5|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<1>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(CClHH)(O)	117.3893	0.088	4	117.4964	0.063	5	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CClHH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){2|H<1>,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>,3|C<3>,5|H<1>}	C(N[6]C[6]2)(CClHH)(O)	117.9250	0.000	1	117.4964	0.063	5	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,2|H<1>,5|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<1>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(CH3)(O)	117.8540	0.000	1	117.8540	0.000	1	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CBrHH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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)(CBrHH)(O)	115.6240	0.000	1	118.3900	16.438	3	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CBrHH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(CBrHH)(O)	119.7730	4.626	2	118.3900	16.438	3	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CC[6a]HH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(CC[6a]HH)(O)	119.8542	2.407	4	119.8542	5.795	4	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCl2H)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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)(CCl2H)(O)	118.8317	3.496	4	119.5774	17.904	8	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCl2H)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(CCl2H)(O)	120.3230	5.298	4	119.5774	17.904	8	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CClHH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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)(CClHH)(O)	117.2140	0.000	1	119.9755	6.289	12	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CClHH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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)(CClHH)(O)	122.0954	0.796	5	119.9755	6.289	12	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CClHH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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)(CClHH)(O)	119.8385	3.839	2	119.9755	6.289	12	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CClHH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C(N[6]C[6]2)(CClHH)(O)	119.0780	1.824	2	119.9755	6.289	12	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CClHH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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(N[6]C[6]2)(CClHH)(O)	117.0910	0.444	2	119.9755	6.289	12	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	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)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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)(CH3)(O)	119.9880	3.091	2	118.6590	10.077	3	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	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)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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(N[6]C[6]2)(CH3)(O)	116.0010	0.000	1	118.6590	10.077	3	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CHHS)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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)(CHHS)(O)	118.7330	0.000	1	118.7330	0.000	1	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CN[6]HH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(CN[6]HH)(O)	119.8175	3.614	2	119.8175	13.061	2	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CBrHH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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)(CBrHH)(O)	122.8100	0.000	1	122.8100	0.000	1	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CC[6a]2H)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){4|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)(CC[6a]2H)(O)	119.4290	4.582	2	119.4290	20.995	2	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCl2H)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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)(CCl2H)(O)	121.1765	3.237	4	121.7188	7.190	6	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCl2H)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,2|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)(CCl2H)(O)	122.8035	0.995	2	121.7188	7.190	6	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CClHH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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)(CClHH)(O)	122.3040	0.000	1	120.2191	8.295	15	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CClHH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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)(CClHH)(O)	117.0574	0.311	5	120.2191	8.295	15	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CClHH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,2|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)(CClHH)(O)	122.2527	0.187	4	120.2191	8.295	15	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CClHH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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(N[6]C[6]2)(CClHH)(O)	122.4750	0.451	2	120.2191	8.295	15	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CClHH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){2|H<1>,3|C<4>,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(N[6]C[6]2)(CClHH)(O)	123.1160	0.000	1	120.2191	8.295	15	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CClHH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){4|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)(CClHH)(O)	119.3090	4.933	2	120.2191	8.295	15	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	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)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C(N[6]C[6]2)(CH3)(O)	123.6500	0.000	1	120.8714	5.202	5	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	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)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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)(CH3)(O)	119.5835	3.087	2	120.8714	5.202	5	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	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)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,2|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)(CH3)(O)	121.1030	0.000	1	120.8714	5.202	5	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	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)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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(N[6]C[6]2)(CH3)(O)	120.4370	0.000	1	120.8714	5.202	5	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CHHS)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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)(CHHS)(O)	121.3670	0.000	1	121.3670	0.000	1	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CN[5a]HH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C(N[6]C[6]2)(CN[5a]HH)(O)	121.3470	0.000	1	121.3470	0.000	1	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CN[6]CH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C(N[6]C[6]2)(CN[6]CH)(O)	124.6860	0.518	2	124.6860	0.268	2	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CN[6]HH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C(N[6]C[6]2)(CN[6]HH)(O)	123.7965	0.013	2	123.7965	0.000	2	120.0843	8.714	77	120.1302	8.705	81	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[3]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)2(CC[3]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[3]C[3]2H)(N[6]C[6]2)(O)	N[6](C[6]C[6a]C[6]H)2(CC[3]O){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(C[3]C[3]2H)(N[6]C[6]2)(O)	121.9390	0.030	2	121.9390	0.001	2	119.8625	5.750	4	119.8625	5.750	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[3]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)2(CC[3]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(C[3]C[3]2H)(N[6]C[6]2)(O)	N[6](C[6]C[6a]C[6]H)2(CC[3]O){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(C[3]C[3]2H)(N[6]C[6]2)(O)	117.7860	0.051	2	117.7860	0.003	2	119.8625	5.750	4	119.8625	5.750	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:4:1:	3:2:1:	C[4,6,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:O-2:O-1:	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(N[6]C[4,6,6]C[6])(OC[6a])(O)	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(N[6]C[4,6,6]C[6])(OC[6a])(O)	114.4070	0.000	1	114.4070	0.000	1	118.8835	40.078	2	119.0993	20.179	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:4:1:	3:2:1:	C[4,6,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:O-2:O-1:	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(N[6]C[4,6,6]C[6])(OC[6a])(O)	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(N[6]C[4,6,6]C[6])(OC[6a])(O)	123.3600	0.000	1	123.3600	0.000	1	118.8835	40.078	2	119.0993	20.179	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:4:1:	3:2:1:	C[6,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[6]3)(C[6]C[6]CH)(COO)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCCH)(H)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6]3)(C[6]C[6]CH)(COO){1|C<3>,3|C<4>,7|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCCH)(H){1|O<1>,3|C<4>}	C(N[6]C[6,6]C[6])(OC)(O)	119.5310	0.000	1	119.5310	0.000	1	119.5310	0.000	1	119.0993	20.179	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(CH3)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	118.0700	0.000	1	118.0700	0.000	1	118.7117	11.474	3	118.7117	11.474	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O)	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)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	122.3740	0.000	1	122.3740	0.000	1	118.7117	11.474	3	118.7117	11.474	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6]C[6]3)(C[6]C[6]CH)(CC[6a]O)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCHH)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6]C[6]3)(C[6]C[6]CH)(CC[6a]O){1|C<3>,3|C<4>,7|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCHH)(H){1|N<2>,3|C<4>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	115.6910	0.000	1	115.6910	0.000	1	118.7117	11.474	3	118.7117	11.474	3	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:1:1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:O-1:	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CHO)	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)(O)	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CHO){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)(O)	121.8665	0.237	2	121.8665	0.056	2	121.8665	0.056	2	122.7073	0.868	27	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:O-1:	N[6](C[6]C[6]HH)2(CHO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)(O)	N[6](C[6]C[6]HH)2(CHO){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)(O)	122.9362	1.012	6	122.9362	1.024	6	122.8251	0.939	7	122.7073	0.868	27	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:H-1:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHO)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]N[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)(O)	122.1590	0.000	1	122.1590	0.000	1	122.8251	0.939	7	122.7073	0.868	27	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(O)2	N[6](C[6]C[6]HH)2(COO){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)(O)2	122.5748	1.239	6	122.5816	1.126	8	122.6284	0.759	16	122.7073	0.868	27	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(O)2	N[6](C[6]C[6]HH)2(COO){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)(O)2	122.6020	0.444	2	122.5816	1.126	8	122.6284	0.759	16	122.7073	0.868	27	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(O)2	N[6](C[6]C[6]HH)2(COO){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)(O)2	122.9765	1.068	2	122.9642	0.271	6	122.6284	0.759	16	122.7073	0.868	27	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(O)2	N[6](C[6]C[6]HH)2(COO){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)(O)2	122.7680	0.245	2	122.9642	0.271	6	122.6284	0.759	16	122.7073	0.868	27	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(O)2	N[6](C[6]C[6]HH)2(COO){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)(O)2	123.1480	0.105	2	122.9642	0.271	6	122.6284	0.759	16	122.7073	0.868	27	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(O)2	N[6](C[6]C[6]HH)2(COO){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)(O)2	121.8080	0.325	2	121.8080	0.106	2	122.6284	0.759	16	122.7073	0.868	27	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-1:S-1:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(S)2	N[6](C[6]C[6]HH)2(CSS){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)(S)2	123.7665	1.281	2	123.7665	1.640	2	123.7665	1.640	2	122.7073	0.868	27	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[3,4,6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	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(N[6]C[3,4,6]C[6])(OC[6a])(O)	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(N[6]C[3,4,6]C[6])(OC[6a])(O)	126.6230	0.000	1	126.6230	0.000	1	126.6230	0.000	1	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[4,6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-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(N[6]C[4,6]C[6])(OC[6a])(O)	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(N[6]C[4,6]C[6])(OC[6a])(O)	116.2970	0.000	1	116.2970	0.000	1	116.2970	0.000	1	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[5,5,6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-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(N[6]C[5,5,6]C[6])(OC)(O)	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(N[6]C[5,5,6]C[6])(OC)(O)	121.2940	0.000	1	121.2940	0.000	1	116.8071	8.372	7	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[5,5,6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-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(N[6]C[5,5,6]C[6])(OC)(O)	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(N[6]C[5,5,6]C[6])(OC)(O)	114.7940	0.000	1	116.0593	5.349	6	116.8071	8.372	7	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[5,5,6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-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(N[6]C[5,5,6]C[6])(OC)(O)	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(N[6]C[5,5,6]C[6])(OC)(O)	116.3124	2.491	5	116.0593	5.349	6	116.8071	8.372	7	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	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(N[6]C[5,6]C[6])(OC)(O)	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(N[6]C[5,6]C[6])(OC)(O)	118.8080	0.000	1	117.8490	1.839	2	117.8490	1.839	2	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	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(N[6]C[5,6]C[6])(OC)(O)	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(N[6]C[5,6]C[6])(OC)(O)	116.8900	0.000	1	117.8490	1.839	2	117.8490	1.839	2	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(COO)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(COO){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(N[6]C[6,6]C[6])(OC)(O)	124.6490	0.000	1	124.6490	0.000	1	124.6490	0.000	1	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(COO)	C[6](C[6]C[5,6]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(N[6]C[6,6]C[6])(OC)(O)	121.0450	0.000	1	121.0450	0.000	1	120.0821	1.096	7	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(N[6]C[6,6]C[6])(OC)(O)	121.8170	0.000	1	120.2290	2.443	3	120.0821	1.096	7	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO){2|C<3>,2|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])(OC)(O)	119.4350	1.051	2	120.2290	2.443	3	120.0821	1.096	7	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(N[6]C[6,6]C[6])(OC)(O)	119.6143	0.144	3	119.6143	0.021	3	120.0821	1.096	7	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5,5,6,6]HH)2(COO)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,5,6,6]HH)2(COO){1|C<3>,2|C<4>,2|O<2>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	123.0030	0.000	1	123.0030	0.000	1	120.4795	12.736	2	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5,5,6,6]HH)2(COO)	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(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,5,6,6]HH)2(COO){1|C<3>,2|C<4>,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|C<4>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	117.9560	0.000	1	117.9560	0.000	1	120.4795	12.736	2	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	124.3210	0.000	1	121.5070	6.105	3	121.5070	6.105	3	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO){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)(OC)(O)	120.1000	0.576	2	121.5070	6.105	3	121.5070	6.105	3	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO){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|N<3>,2|C<4>,5|H<1>}	C(N[6]C[6]2)(OC)(O)	121.4700	0.000	1	121.4700	0.000	1	121.7903	5.360	3	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6]HH)2(COO)	C[6](C[6,6]C[6,6]2H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6]HH)2(COO){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	C(N[6]C[6]2)(OC)(O)	119.6520	0.000	1	119.6520	0.000	1	121.7903	5.360	3	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6]HH)2(COO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6]HH)2(COO){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)(OC)(O)	124.2490	0.000	1	124.2490	0.000	1	121.7903	5.360	3	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-2:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC)(O)	N[6](C[6]C[6]HH)2(CCO){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)(O)	122.5147	2.167	4	122.5147	4.697	4	122.7173	4.049	6	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-2:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC)(O)	N[6](C[6]C[6]HH)2(CCO){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)(O)	123.1225	2.379	2	123.1225	5.662	2	122.7173	4.049	6	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-2:H-1:	N[6](C[6]C[6]HH)2(CHN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC)(H)	N[6](C[6]C[6]HH)2(CHN){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)(NC)(H)	122.2114	0.674	8	122.2114	0.455	8	122.0439	0.638	16	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-2:H-1:	N[6](C[6]C[6]HH)2(CHN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[5a])(H)	N[6](C[6]C[6]HH)2(CHN){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)(NC[5a])(H)	121.6545	0.754	2	121.6545	0.569	2	122.0439	0.638	16	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-2:H-1:	N[6](C[6]C[6]HH)2(CHN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a])(H)	N[6](C[6]C[6]HH)2(CHN){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)(NC[6a])(H)	121.9505	1.024	6	121.9505	1.049	6	122.0439	0.638	16	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-2:S-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NN)(S)	N[6](C[6]C[6]HH)2(CNS){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)(NN)(S)	122.6675	0.146	2	122.6675	0.021	2	123.5028	1.133	10	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-2:S-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a])(S)	N[6](C[6]C[6]HH)2(CNS){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)(NC[6a])(S)	123.3825	1.759	2	123.3825	3.093	2	123.5028	1.133	10	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-2:S-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NN)(S)	N[6](C[6]C[6]HH)2(CNS){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)(NN)(S)	123.8213	1.005	6	123.8213	1.009	6	123.5028	1.133	10	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-2:Se-1:	N[6](C[6]C[6]HH)2(CSeN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NN)(Se)	N[6](C[6]C[6]HH)2(CSeN){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)(NN)(Se)	123.4070	1.291	2	123.4070	1.667	2	123.4070	1.667	2	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5,6]CC)(C[6]C[6]HH)(COO)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,6]CC)(C[6]C[6]HH)(COO){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|C<3>,3|C<4>}	C(N[6]C[6]2)(OC)(O)	123.1610	0.000	1	123.1610	0.000	1	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO){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|O<2>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	118.5390	0.000	1	118.5390	0.000	1	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(COO)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(COO){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	C(N[6]C[6]2)(OC)(O)	117.6500	0.000	1	117.6500	0.000	1	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO){1|C<3>,1|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)(OC)(O)	117.5300	0.000	1	122.3917	17.759	3	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO){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)(OC)(O)	124.8225	0.255	2	122.3917	17.759	3	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(COO)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(COO){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(N[6]C[6]2)(OC)(O)	122.0115	5.120	2	122.0115	26.216	2	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){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>,3|C<3>}	C(N[6]C[6]2)(OC)(O)	122.6490	0.000	1	122.6490	0.000	1	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC[6a])(O)	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){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<2>,1|C<4>,2|C<3>}	C(N[6]C[6]2)(OC[6a])(O)	120.2270	0.679	2	120.2270	0.461	2	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(COO)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(COO){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	C(N[6]C[6]2)(OC)(O)	119.3570	0.000	1	119.3570	0.000	1	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){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)(OC)(O)	125.4850	0.000	1	122.5977	9.554	3	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){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<2>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	122.9710	0.000	1	122.5977	9.554	3	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){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(N[6]C[6]2)(OC)(O)	119.3370	0.000	1	122.5977	9.554	3	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(N[6]C[6]2)(OC)(O)	118.8850	0.000	1	118.8850	0.000	1	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	123.7880	0.000	1	123.7880	0.000	1	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC[6])(O)	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(COO){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|C<4>,2|C<3>}	C(N[6]C[6]2)(OC[6])(O)	121.4150	0.479	2	121.4150	0.230	2	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO){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)(OC)(O)	120.2560	0.000	1	120.2560	0.000	1	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC[6])(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO){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(N[6]C[6]2)(OC[6])(O)	119.3800	0.000	1	119.3800	0.000	1	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	125.4340	0.000	1	124.3480	2.359	2	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO){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)(OC)(O)	123.2620	0.000	1	124.3480	2.359	2	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(COO){1|O<1>,2|H<1>,4|C<4>}	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)(OC)(O)	121.3220	0.000	2	121.1133	0.131	3	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(COO){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	120.6960	0.000	1	121.1133	0.131	3	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){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|O<2>,2|C<4>}	C(N[6]C[6]2)(OC)(O)	120.7880	0.000	1	120.7880	0.000	1	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,3|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)(OC)(O)	119.0130	0.000	1	122.0614	10.916	5	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(N[6]C[6]2)(OC)(O)	124.1700	0.000	1	122.0614	10.916	5	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){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)(OC)(O)	122.3747	3.849	3	122.0614	10.916	5	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	122.6820	0.000	1	122.6820	0.000	1	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|Mo<8>,1|C<4>,2|H<1>}	C[6](C[6]C[6]MoH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	121.8160	0.000	1	121.8160	0.000	1	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>,3|C<3>}	C(N[6]C[6]2)(OC)(O)	119.8590	0.000	1	119.8590	0.000	1	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){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{2|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	124.3910	0.000	1	124.3910	0.000	1	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	C(N[6]C[6]2)(OC)(O)	119.6850	0.000	1	120.6140	1.726	2	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){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>,2|C<4>}	C(N[6]C[6]2)(OC)(O)	121.5430	0.000	1	120.6140	1.726	2	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]O[6]CC)(COO){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(N[6]C[6]2)(OC)(O)	125.0670	0.000	1	125.0670	0.000	1	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	121.5717	2.913	4	121.5717	8.483	4	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	122.8700	0.000	1	122.8700	0.000	1	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){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|N<2>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	121.9965	3.716	2	121.6925	11.277	6	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){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|N<3>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	121.5405	3.755	4	121.6925	11.277	6	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	120.1150	0.000	1	120.1150	0.000	1	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){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>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	119.9740	0.495	2	120.0983	0.169	3	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	120.3470	0.000	1	120.0983	0.169	3	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	124.6610	0.000	1	122.0150	14.003	2	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	119.3690	0.000	1	122.0150	14.003	2	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]ClC)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]ClC)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	119.9370	0.000	1	119.9370	0.000	1	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	124.1430	0.047	2	124.1430	0.002	2	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<3>,1|C<4>,1|N<3>,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)(OC)(O)	118.1070	0.000	1	121.8219	8.039	34	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){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>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	121.8060	0.000	1	121.8219	8.039	34	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|P<4>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	118.5120	0.000	1	121.8219	8.039	34	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<4>,1|F<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(N[6]C[6]2)(OC)(O)	120.0255	0.040	2	121.8219	8.039	34	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){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<4>,2|C<3>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	125.5510	0.000	1	121.8219	8.039	34	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<4>,2|C<3>,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)(OC)(O)	125.1820	0.000	1	121.8219	8.039	34	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){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(N[6]C[6]2)(OC)(O)	120.8775	3.336	4	121.8219	8.039	34	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){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)(OC)(O)	121.7135	3.213	6	121.8219	8.039	34	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){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)(OC)(O)	122.0683	2.603	6	121.8219	8.039	34	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){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<2>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	123.0475	3.924	2	121.8219	8.039	34	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){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)(OC)(O)	122.3445	3.351	2	121.8219	8.039	34	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){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)(OC)(O)	121.7672	2.991	6	121.8219	8.039	34	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|Cl<1>,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)(OC)(O)	125.1460	0.000	1	121.8219	8.039	34	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC[6])(O)	N[6](C[6]C[6]HH)2(COO){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)(OC[6])(O)	121.6370	4.897	2	121.6370	23.985	2	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC[6a])(O)	N[6](C[6]C[6]HH)2(COO){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)(OC[6a])(O)	122.8465	4.043	2	122.8465	16.342	2	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	122.8265	0.981	2	123.9313	2.012	4	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	125.3460	0.000	1	123.9313	2.012	4	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	124.7260	0.000	1	123.9313	2.012	4	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	122.6380	0.000	1	122.6380	0.000	1	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<4>,1|N<4>,3|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)(OC)(O)	117.9750	0.000	1	122.4785	9.233	33	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){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)(O)	122.3405	3.108	16	122.4785	9.233	33	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){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)(OC)(O)	123.0180	4.260	2	122.4785	9.233	33	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){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)(OC)(O)	122.8808	2.895	14	122.4785	9.233	33	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC[5])(O)	N[6](C[6]C[6]HH)2(COO){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[5])(O)	121.5110	4.101	2	121.4755	7.778	8	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC[5])(O)	N[6](C[6]C[6]HH)2(COO){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)(OC[5])(O)	121.4637	2.743	6	121.4755	7.778	8	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	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)(OC)(O)	123.4175	2.336	2	123.4175	5.455	2	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){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)(OC)(O)	121.9540	3.297	2	121.9540	10.867	2	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	124.3360	0.563	2	124.3360	0.317	2	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,2|C<3>,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)(OC)(O)	119.7570	0.000	1	119.5835	0.060	2	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,2|C<3>,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(N[6]C[6]2)(OC)(O)	119.4100	0.000	1	119.5835	0.060	2	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	118.7635	0.306	2	118.7635	0.094	2	121.9285	7.358	153	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:S-1:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS){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)(SC)(S)	123.7443	1.812	26	123.7602	3.300	30	123.5481	3.343	68	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:S-1:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS){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)(SC)(S)	123.8630	2.128	4	123.7602	3.300	30	123.5481	3.343	68	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:S-1:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS){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)(SC)(S)	124.0342	2.176	6	123.4219	5.129	8	123.5481	3.343	68	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:S-1:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS){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)(SC)(S)	121.5850	1.800	2	123.4219	5.129	8	123.5481	3.343	68	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:S-1:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS){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)(SC)(S)	123.3697	1.761	30	123.3697	3.102	30	123.5481	3.343	68	122.1969	7.033	282	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-2:O-2:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC)(OC)	N[6](C[6]C[6]HH)2(CCO){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)(OC)	122.7915	0.289	2	122.7915	0.084	2	122.7915	0.084	2	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-2:N-2:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NCu)(NC)	N[6](C[6]C[6]HH)2(CNN){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)(NCu)(NC)	123.9145	2.221	2	123.9145	4.933	2	123.9145	4.933	2	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-2:P-2:	N[6](C[6]C[6]HH)2(CNP)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NP)(PC)	N[6](C[6]C[6]HH)2(CNP){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)(NP)(PC)	123.5235	2.135	2	123.5235	4.557	2	123.5235	4.557	2	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-2:S-2:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC)(SC)	N[6](C[6]C[6]HH)2(CNS){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)(NC)(SC)	123.5445	2.846	2	123.5445	8.100	2	123.5445	8.100	2	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:N-2:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OPt)(NC)	N[6](C[6]C[6]HH)2(CNO){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)(OPt)(NC)	122.1105	0.323	2	122.1105	0.104	2	122.1105	0.104	2	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:N-2:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SCu)(NP)	N[6](C[6]C[6]HH)2(CNS){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)(SCu)(NP)	122.8065	2.343	2	122.8065	5.488	2	123.0804	2.787	20	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:N-2:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SPt)(NC)	N[6](C[6]C[6]HH)2(CNS){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)(SPt)(NC)	123.6867	1.558	4	123.6867	2.426	4	123.0804	2.787	20	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:N-2:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SZn)(NP)	N[6](C[6]C[6]HH)2(CNS){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)(SZn)(NP)	123.4840	2.159	4	123.4840	4.662	4	123.0804	2.787	20	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:N-2:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SCr)(NN)	N[6](C[6]C[6]HH)2(CNS){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)(SCr)(NN)	122.4850	1.041	4	122.4850	1.084	4	123.0804	2.787	20	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:N-2:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SFe)(NN)	N[6](C[6]C[6]HH)2(CNS){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)(SFe)(NN)	121.1690	1.131	2	121.1690	1.280	2	123.0804	2.787	20	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:N-2:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SPt)(NC)	N[6](C[6]C[6]HH)2(CNS){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)(SPt)(NC)	124.1550	2.432	2	124.1550	5.917	2	123.0804	2.787	20	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:N-2:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SRe)(NC)	N[6](C[6]C[6]HH)2(CNS){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)(SRe)(NC)	123.3620	1.510	2	123.3620	2.281	2	123.0804	2.787	20	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:S-2:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSS)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SNi)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSS){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)(SNi)2	122.9510	0.000	1	122.9510	0.000	1	123.0161	0.433	62	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:S-2:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SCd)2	N[6](C[6]C[6]HH)2(CSS){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)(SCd)2	123.5010	0.359	3	123.5010	0.129	3	123.0161	0.433	62	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:S-2:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SCo)2	N[6](C[6]C[6]HH)2(CSS){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)(SCo)2	122.5613	0.467	6	122.5613	0.218	6	123.0161	0.433	62	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:S-2:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SCu)2	N[6](C[6]C[6]HH)2(CSS){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)(SCu)2	123.1033	0.582	4	123.0045	0.241	8	123.0161	0.433	62	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:S-2:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SCu)2	N[6](C[6]C[6]HH)2(CSS){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)(SCu)2	122.9057	0.445	4	123.0045	0.241	8	123.0161	0.433	62	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:S-2:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SNi)2	N[6](C[6]C[6]HH)2(CSS){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)(SNi)2	123.1097	0.478	4	123.1097	0.229	4	123.0161	0.433	62	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:S-2:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SPd)2	N[6](C[6]C[6]HH)2(CSS){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)(SPd)2	122.9112	0.630	8	122.8974	0.333	10	123.0161	0.433	62	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:S-2:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SPd)2	N[6](C[6]C[6]HH)2(CSS){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)(SPd)2	122.8420	0.455	2	122.8974	0.333	10	123.0161	0.433	62	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:S-2:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SAu)2	N[6](C[6]C[6]HH)2(CSS){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)(SAu)2	123.2900	0.816	2	123.2900	0.666	2	123.0161	0.433	62	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:S-2:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SCd)2	N[6](C[6]C[6]HH)2(CSS){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)(SCd)2	123.7670	0.253	2	123.7670	0.064	2	123.0161	0.433	62	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:S-2:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SCu)2	N[6](C[6]C[6]HH)2(CSS){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)(SCu)2	123.8535	1.064	2	123.8535	1.133	2	123.0161	0.433	62	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:S-2:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SNi)2	N[6](C[6]C[6]HH)2(CSS){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)(SNi)2	122.6750	0.704	4	122.5732	0.348	6	123.0161	0.433	62	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:S-2:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SNi)2	N[6](C[6]C[6]HH)2(CSS){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)(SNi)2	122.3695	0.361	2	122.5732	0.348	6	123.0161	0.433	62	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:S-2:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SPt)2	N[6](C[6]C[6]HH)2(CSS){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)(SPt)2	123.1915	0.600	6	123.1915	0.360	6	123.0161	0.433	62	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:S-2:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SSn)2	N[6](C[6]C[6]HH)2(CSS){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)(SSn)2	123.0135	0.702	2	123.4967	0.728	4	123.0161	0.433	62	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:S-2:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SSn)2	N[6](C[6]C[6]HH)2(CSS){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)(SSn)2	123.9800	0.870	2	123.4967	0.728	4	123.0161	0.433	62	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:S-2:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SCo)2	N[6](C[6]C[6]HH)2(CSS){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)(SCo)2	123.0700	0.667	6	123.0700	0.445	6	123.0161	0.433	62	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:S-2:	N[6](C[6]C[6]HH)2(CSS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SNi)2	N[6](C[6]C[6]HH)2(CSS){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)(SNi)2	121.9570	0.713	2	121.9570	0.508	2	123.0161	0.433	62	123.0476	1.116	92	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:C-3:	N[6](C[6]C[6]HH)2(CCS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SC[6a])(CCN)	N[6](C[6]C[6]HH)2(CCS){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)(SC[6a])(CCN)	123.8390	1.997	2	123.8390	3.987	2	123.8390	3.987	2	123.8390	3.987	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:4:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-2:C-4:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a])(CCHH)	N[6](C[6]C[6]HH)2(CCN){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)(NC[6a])(CCHH)	120.7040	3.736	2	120.7040	13.960	2	120.7040	13.960	2	120.7040	13.960	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CC[6a]O)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CC[6a]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	125.6660	0.000	1	125.6660	0.000	1	125.6660	0.000	1	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]O)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]O){1|C<3>,2|C<4>,2|O<2>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	118.9400	0.000	1	118.9400	0.000	1	121.5440	13.562	2	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]O)	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)(O)	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]O){1|C<3>,2|C<4>,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|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	124.1480	0.000	1	124.1480	0.000	1	121.5440	13.562	2	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CC[6a]O)	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)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CC[6a]O){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	118.8570	0.000	1	118.8570	0.000	1	118.8570	0.000	1	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CC[5]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(C[5]C[5,6a]C[5])(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CC[5]H){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(C[5]C[5,6a]C[5])(N[6]C[6]2)(H)	125.4000	0.000	1	125.4000	0.000	1	123.4193	6.200	3	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)2(CC[5]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[5]C[5]2)(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[5]H){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]2)(N[6]C[6]2)(H)	122.4290	2.553	2	122.4290	6.516	2	123.4193	6.200	3	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CC[5]O)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(C[5]C[5]2)(N[6]C[6]2)(O)	N[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CC[5]O){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|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5]2)(N[6]C[6]2)(O)	120.0080	0.000	1	120.0080	0.000	1	122.3957	14.810	10	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[5]O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(C[5]C[5]2)(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[5]O){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5]2)(N[6]C[6]2)(O)	118.4840	0.000	1	118.4840	0.000	1	122.3957	14.810	10	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[5]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[5]C[5,5]C[5])(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CC[5]O){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[5,5]C[5])(N[6]C[6]2)(O)	122.7353	2.973	4	122.7353	8.838	4	122.3957	14.810	10	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[5]O)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[5]C[5]2)(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CC[5]O){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]2)(N[6]C[6]2)(O)	123.6310	5.138	4	123.6310	26.403	4	122.3957	14.810	10	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-3:N[6]-3:S-1:	N[6](C[6]C[6]HH)2(CC[5]S)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[5]C[5]2)(N[6]C[6]2)(S)	N[6](C[6]C[6]HH)2(CC[5]S){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]2)(N[6]C[6]2)(S)	123.4695	1.279	2	123.4695	1.636	2	123.7975	3.905	4	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-3:N[6]-3:S-1:	N[6](C[6]C[6]HH)2(CC[5]S)	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)(S)	N[6](C[6]C[6]HH)2(CC[5]S){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)(S)	124.1255	3.106	2	124.1255	9.649	2	123.7975	3.905	4	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[5a]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[5a]C[5a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CC[5a]O){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[5a]C[5a]2)(N[6]C[6]2)(O)	122.6090	3.676	2	122.6090	13.510	2	122.8798	16.649	22	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[5a]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CC[5a]O){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[5a]C[5a]N[5a])(N[6]C[6]2)(O)	123.3370	6.749	2	123.3370	45.544	2	122.8798	16.649	22	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[5a]O)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CC[5a]O){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[5a]C[5a]N[5a])(N[6]C[6]2)(O)	122.7560	4.099	10	122.7560	16.803	10	122.8798	16.649	22	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[5a]O)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CC[5a]O){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[5a]C[5a]S[5a])(N[6]C[6]2)(O)	122.6508	4.981	4	122.6508	24.809	4	122.8798	16.649	22	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[5a]O)	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)(O)	N[6](C[6]C[6]HH)2(CC[5a]O){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)(O)	123.1570	4.634	2	123.1570	21.477	2	122.8798	16.649	22	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[5a]O)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[5a]N[5a]O[5a])(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CC[5a]O){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]O[5a])(N[6]C[6]2)(O)	123.4935	6.451	2	123.4935	41.615	2	122.8798	16.649	22	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)2(CC[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6]C[6]O[6])(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6]H){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]O[6])(N[6]C[6]2)(H)	123.0805	3.723	2	123.0805	13.860	2	123.0805	13.860	2	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6]C[6]2)(N[6]C[6]2)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]O){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[6]C[6]2)(N[6]C[6]2)(O)	125.1850	0.000	1	125.1850	0.000	1	123.3548	9.858	9	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6]C[6]2)(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CC[6]O){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]2)(N[6]C[6]2)(O)	122.8550	4.989	2	122.8550	24.894	2	123.3548	9.858	9	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6]O)	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)(O)	N[6](C[6]C[6]HH)2(CC[6]O){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)(O)	123.5205	3.479	4	123.5205	12.105	4	123.3548	9.858	9	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6]O)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6]C[6]N[6])(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CC[6]O){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[6]C[6]N[6])(N[6]C[6]2)(O)	122.6080	3.547	2	122.6080	12.580	2	123.3548	9.858	9	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CC[6a]O)	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)(O)	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CC[6a]O){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(C[6a]C[6a]2)(N[6]C[6]2)(O)	126.8180	0.000	1	126.8180	0.000	1	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CC[6a]O)	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)(O)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CC[6a]O){1|C<3>,1|O<2>,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(C[6a]C[6a]2)(N[6]C[6]2)(O)	123.7190	0.000	1	123.7190	0.000	1	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]O)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]O){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]C)(H)2{1|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	126.1700	0.000	1	126.1700	0.000	1	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]O)	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)(O)	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<4>}	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)(O)	124.6580	0.000	1	124.6580	0.000	1	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]O)	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)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]O){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)(O)	126.4100	0.000	1	126.4100	0.000	1	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CC[6a]O)	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)(O)	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CC[6a]O){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{4|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	123.9780	0.000	1	123.9780	0.000	1	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)	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)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<4>}	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)(O)	119.6450	0.000	1	119.6450	0.000	1	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)	C[6](C[6]C[6a]2C[6])(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]2C[6])(N[6]C[6]C)(H)2{2|C<4>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	118.7840	0.000	1	118.7840	0.000	1	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	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)(O)	N[6](C[6]C[6]HH)2(CC[6a]O){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(C[6a]C[6a]2)(N[6]C[6]2)(O)	122.6873	2.707	8	122.6873	7.326	8	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	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)(O)	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]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)(O)	122.7645	3.666	2	122.7645	13.442	2	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[6a,6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CC[6a]O){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]2)(N[6]C[6]2)(O)	122.7770	4.383	2	122.7770	19.208	2	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	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)(O)	N[6](C[6]C[6]HH)2(CC[6a]O){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)(O)	123.2685	3.832	2	123.2685	14.683	2	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	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)(O)	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	125.6200	0.000	1	123.1366	7.570	31	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	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)(O)	N[6](C[6]C[6]HH)2(CC[6a]O){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)(O)	122.6840	2.988	4	123.1366	7.570	31	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	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)(O)	N[6](C[6]C[6]HH)2(CC[6a]O){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(C[6a]C[6a]2)(N[6]C[6]2)(O)	123.3345	3.056	6	123.1366	7.570	31	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	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)(O)	N[6](C[6]C[6]HH)2(CC[6a]O){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)(O)	122.8651	2.916	8	123.1366	7.570	31	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	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)(O)	N[6](C[6]C[6]HH)2(CC[6a]O){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)(O)	123.5290	4.175	2	123.1366	7.570	31	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	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)(O)	N[6](C[6]C[6]HH)2(CC[6a]O){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)(O)	123.0894	2.759	10	123.1366	7.570	31	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	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)(O)	N[6](C[6]C[6]HH)2(CC[6a]O){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]N[6a])(N[6]C[6]2)(O)	122.6515	3.655	4	122.6515	13.358	4	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	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)(O)	N[6](C[6]C[6]HH)2(CC[6a]O){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)(O)	122.9835	2.632	64	122.9376	6.912	72	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	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)(O)	N[6](C[6]C[6]HH)2(CC[6a]O){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)(O)	122.6522	3.084	6	122.9376	6.912	72	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	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)(O)	N[6](C[6]C[6]HH)2(CC[6a]O){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)(O)	122.3225	2.313	2	122.9376	6.912	72	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	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)(O)	N[6](C[6]C[6]HH)2(CC[6a]O){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)(O)	123.8005	3.645	2	123.5075	9.824	4	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	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)(O)	N[6](C[6]C[6]HH)2(CC[6a]O){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]N[6a])(N[6]C[6]2)(O)	123.2145	3.980	2	123.5075	9.824	4	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	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)(O)	N[6](C[6]C[6]HH)2(CC[6a]O){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)(O)	122.6226	2.867	26	122.6226	8.217	26	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	C[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	126.0010	0.000	1	126.0010	0.000	1	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	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)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,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)(O)	124.9950	0.000	1	123.9593	0.847	3	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	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)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){2|C<3>,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(C[6a]C[6a]2)(N[6]C[6]2)(O)	123.2350	0.000	1	123.9593	0.847	3	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	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)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){2|C<3>,2|C<4>,3|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)(O)	123.6480	0.000	1	123.9593	0.847	3	122.9984	7.294	163	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:S-1:	N[6](C[6]C[6]HH)2(CC[6a]S)	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)(S)	N[6](C[6]C[6]HH)2(CC[6a]S){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)(S)	123.3125	1.247	2	123.3125	1.554	2	123.9703	1.802	6	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:S-1:	N[6](C[6]C[6]HH)2(CC[6a]S)	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)(S)	N[6](C[6]C[6]HH)2(CC[6a]S){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)(S)	124.2993	1.433	4	124.2993	2.052	4	123.9703	1.802	6	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[5]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[5]O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[5]C[5]2)(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[5]O){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[5]C[5]2)(N[6]C[6]2)(O)	126.4890	0.000	1	126.4890	0.000	1	122.9587	20.621	7	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[5]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CN[5]O)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C(N[5]C[5]S[5])(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CN[5]O){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[5]C[5]S[5])(N[6]C[6]2)(O)	122.4655	4.810	4	122.4655	23.140	4	122.9587	20.621	7	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[5]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CN[5]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[5]C[5]S[5])(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CN[5]O){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]S[5])(N[6]C[6]2)(O)	122.1800	6.297	2	122.1800	39.658	2	122.9587	20.621	7	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[5a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[5a]O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[5a]C[5a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[5a]O){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[5a]C[5a]2)(N[6]C[6]2)(O)	118.5960	0.000	1	118.5960	0.000	1	121.5539	29.904	9	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[5a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CN[5a]O)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[5a]C[5a]N[5a])(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CN[5a]O){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]N[5a])(N[6]C[6]2)(O)	121.9236	5.725	8	121.9236	32.770	8	121.5539	29.904	9	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[5a]-3:N[6]-3:S-1:	N[6](C[6]C[6]HH)2(CN[5a]S)	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)(S)	N[6](C[6]C[6]HH)2(CN[5a]S){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)(S)	124.4385	3.835	2	124.4385	14.704	2	124.4385	14.704	2	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:Br-1:	N[6](C[6]C[6]HH)2(CBrC)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]O)(Br)	N[6](C[6]C[6]HH)2(CBrC){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[6a]O)(Br)	123.4690	0.342	2	123.4690	0.117	2	123.4815	0.275	4	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:Br-1:	N[6](C[6]C[6]HH)2(CBrC)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]O)(Br)	N[6](C[6]C[6]HH)2(CBrC){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)(Br)	123.4940	0.841	2	123.4940	0.708	2	123.4815	0.275	4	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:	N[6](C[6]C[6]HH)2(CCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6]H)(H)	N[6](C[6]C[6]HH)2(CCH){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]H)(H)	123.2610	2.029	4	123.2610	4.116	4	123.2788	4.551	10	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:	N[6](C[6]C[6]HH)2(CCH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCH)(H)	N[6](C[6]C[6]HH)2(CCH){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)(CCH)(H)	123.3942	1.295	4	123.3942	1.676	4	123.2788	4.551	10	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:H-1:	N[6](C[6]C[6]HH)2(CCH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCS)(H)	N[6](C[6]C[6]HH)2(CCH){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)(CCS)(H)	123.0835	4.843	2	123.0835	23.454	2	123.2788	4.551	10	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6]HH)2(CCO){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)(CCH)(O)	123.1775	3.384	4	123.1132	9.526	18	123.1861	9.540	66	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6]HH)2(CCO){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)(CCH)(O)	123.0948	3.133	14	123.1132	9.526	18	123.1861	9.540	66	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]O)(O)	N[6](C[6]C[6]HH)2(CCO){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[6a]O)(O)	122.6702	1.349	6	122.6702	1.821	6	123.1861	9.540	66	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCC)(O)	N[6](C[6]C[6]HH)2(CCO){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)(CCC)(O)	123.4850	5.962	2	123.4850	35.549	2	123.1861	9.540	66	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6]HH)2(CCO){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)(O)	123.5902	3.658	16	123.5902	13.381	16	123.1861	9.540	66	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCN)(O)	N[6](C[6]C[6]HH)2(CCO){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)(CCN)(O)	124.3410	6.764	2	124.3410	45.754	2	123.1861	9.540	66	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHN)(O)	N[6](C[6]C[6]HH)2(CCO){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)(CHN)(O)	122.1430	3.363	4	122.1430	11.309	4	123.1861	9.540	66	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(COO)(O)	N[6](C[6]C[6]HH)2(CCO){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)(O)	123.0980	4.576	2	123.0980	20.943	2	123.1861	9.540	66	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCC)(O)	N[6](C[6]C[6]HH)2(CCO){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)(CCC)(O)	123.1990	2.278	2	123.1990	5.191	2	123.1861	9.540	66	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6]HH)2(CCO){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)(CCH)(O)	123.0452	2.498	8	123.0452	6.242	8	123.1861	9.540	66	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[5]H)(O)	N[6](C[6]C[6]HH)2(CCO){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]H)(O)	123.2668	3.902	4	123.2668	15.227	4	123.1861	9.540	66	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]O)(O)	N[6](C[6]C[6]HH)2(CCO){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)(O)	123.2670	2.418	2	123.2670	5.848	2	123.1861	9.540	66	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:S-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCS)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]O)(S)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCS){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)(CC[6a]O)(S)	123.4820	0.000	1	123.4820	0.000	1	123.4058	1.297	11	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:S-1:	N[6](C[6]C[6]HH)2(CCS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]O)(S)	N[6](C[6]C[6]HH)2(CCS){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)(S)	123.5263	0.959	4	123.5263	0.919	4	123.4058	1.297	11	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:S-1:	N[6](C[6]C[6]HH)2(CCS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CNO)(S)	N[6](C[6]C[6]HH)2(CCS){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)(S)	123.5035	1.385	2	123.5035	1.919	2	123.4058	1.297	11	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:S-1:	N[6](C[6]C[6]HH)2(CCS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[6]S)(S)	N[6](C[6]C[6]HH)2(CCS){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]S)(S)	123.2175	1.640	4	123.2175	2.691	4	123.4058	1.297	11	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:Se-1:	N[6](C[6]C[6]HH)2(CSeC)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[5a]O)(Se)	N[6](C[6]C[6]HH)2(CSeC){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[5a]O)(Se)	123.3610	0.054	2	123.3610	0.003	2	123.3610	0.003	2	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:H-1:	N[6](C[6]C[6]HH)2(CHN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NCC)(H)	N[6](C[6]C[6]HH)2(CHN){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)(NCC)(H)	122.3010	6.016	2	122.3010	36.193	2	122.3010	36.193	2	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CNO)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NCC)(O)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CNO){1|C<3>,1|S<2>,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)(NCC)(O)	120.1920	0.000	1	120.1920	0.000	1	122.1383	11.094	43	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CNO)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CNO){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(N[6]C[6]2)(NC[6a]H)(O)	118.0660	0.000	1	118.0660	0.000	1	122.1383	11.094	43	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CNO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NCC)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CNO){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)(NCC)(O)	119.7680	0.000	1	119.7680	0.000	1	122.1383	11.094	43	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(CNO){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)(NC[6a]H)(O)	123.2653	3.762	4	122.6873	10.479	8	122.1383	11.094	43	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(CNO){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)(NC[6a]H)(O)	122.1093	3.067	4	122.6873	10.479	8	122.1383	11.094	43	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NHP)(O)	N[6](C[6]C[6]HH)2(CNO){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)(NHP)(O)	122.1035	5.049	2	122.1035	25.497	2	122.1383	11.094	43	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NCC)(O)	N[6](C[6]C[6]HH)2(CNO){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)(NCC)(O)	119.7302	3.631	4	119.7302	13.185	4	122.1383	11.094	43	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NCH)(O)	N[6](C[6]C[6]HH)2(CNO){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)(NCH)(O)	121.9765	5.469	2	121.9765	29.915	2	122.1383	11.094	43	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(CNO){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)(NC[6a]H)(O)	121.7335	3.402	6	122.3791	10.596	10	122.1383	11.094	43	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(CNO){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)(NC[6a]H)(O)	123.3475	3.228	4	122.3791	10.596	10	122.1383	11.094	43	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NCH)(O)	N[6](C[6]C[6]HH)2(CNO){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)(NCH)(O)	122.6495	4.544	4	122.6495	20.652	4	122.1383	11.094	43	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(CNO){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)(NC[6a]H)(O)	123.0952	2.941	10	123.0952	8.652	10	122.1383	11.094	43	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:S-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNS){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)(NCH)(S)	122.9345	0.289	2	122.9345	0.084	2	123.4704	3.918	58	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:S-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]HH)2(CNS){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)(NCH)(S)	123.5810	2.245	6	123.5810	5.041	6	123.4704	3.918	58	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:S-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]C)(S)	N[6](C[6]C[6]HH)2(CNS){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)(NC[6a]C)(S)	123.2055	2.396	4	123.2055	5.739	4	123.4704	3.918	58	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:S-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]H)(S)	N[6](C[6]C[6]HH)2(CNS){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)(NC[6a]H)(S)	122.3120	2.784	6	122.4998	6.013	8	123.4704	3.918	58	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:S-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]H)(S)	N[6](C[6]C[6]HH)2(CNS){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)(NC[6a]H)(S)	123.0630	1.583	2	122.4998	6.013	8	123.4704	3.918	58	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:S-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]HH)2(CNS){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)(NCH)(S)	123.8470	1.193	6	123.8470	1.424	6	123.4704	3.918	58	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:S-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]H)(S)	N[6](C[6]C[6]HH)2(CNS){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)(NC[6a]H)(S)	124.2510	1.358	2	124.2510	1.843	2	123.4704	3.918	58	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:S-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]HH)2(CNS){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)(NCH)(S)	123.9382	2.315	4	123.9382	5.360	4	123.4704	3.918	58	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:S-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]C)(S)	N[6](C[6]C[6]HH)2(CNS){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)(NC[6a]C)(S)	123.6382	2.747	4	123.6382	7.546	4	123.4704	3.918	58	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:S-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]H)(S)	N[6](C[6]C[6]HH)2(CNS){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)(NC[6a]H)(S)	123.3967	1.656	14	123.3967	2.741	14	123.4704	3.918	58	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:S-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NHN)(S)	N[6](C[6]C[6]HH)2(CNS){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)(NHN)(S)	124.0337	2.617	6	124.0337	6.849	6	123.4704	3.918	58	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:S-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]H)(S)	N[6](C[6]C[6]HH)2(CNS){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)(NC[6a]H)(S)	123.7325	2.740	2	123.7325	7.508	2	123.4704	3.918	58	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:Se-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSeN)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6]H)(Se)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSeN){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)(NC[6]H)(Se)	124.4030	0.000	1	124.4030	0.000	1	123.5132	0.462	5	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:Se-1:	N[6](C[6]C[6]HH)2(CSeN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6]H)(Se)	N[6](C[6]C[6]HH)2(CSeN){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)(NC[6]H)(Se)	123.2908	0.535	4	123.2908	0.286	4	123.5132	0.462	5	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)2(CN[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)2(H)	N[6](C[6]C[6]HH)2(CN[6]H){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)2(H)	121.9640	5.291	2	121.9640	27.990	2	121.9640	27.990	2	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CN[6]O)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6,6a]C[6])(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CN[6]O){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[6,6a]C[6])(N[6]C[6]2)(O)	122.7685	4.653	2	122.7685	21.655	2	122.8900	15.991	6	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CN[6]O)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]N[6])(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CN[6]O){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]N[6])(N[6]C[6]2)(O)	122.9507	4.407	4	122.9507	19.419	4	122.8900	15.991	6	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[6]S)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)2(S)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[6]S){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)2(S)	122.0710	0.000	1	122.0710	0.000	1	122.0710	0.000	1	122.9995	8.474	451	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-3:N[6]-3:S-2:	N[6](C[6]C[6]HH)2(CC[5]S)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[5]C[5]2)(N[6]C[6]2)(SPd)	N[6](C[6]C[6]HH)2(CC[5]S){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]2)(N[6]C[6]2)(SPd)	122.8953	0.981	3	122.8953	0.961	3	122.8953	0.961	3	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)2(CC[5a]N)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)2(CC[5a]N){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]C[5a]2)(N[6]C[6]2)(NC[6a])	120.9818	1.540	42	121.0240	2.710	58	121.1181	2.932	60	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)2(CC[5a]N)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)2(CC[5a]N){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[5a]C[5a]2)(N[6]C[6]2)(NC[6a])	121.1348	1.950	16	121.0240	2.710	58	121.1181	2.932	60	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)2(CC[5a]N)	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)(NS)	N[6](C[6]C[6]HH)2(CC[5a]N){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)(NS)	123.8475	1.761	2	123.8475	3.103	2	121.1181	2.932	60	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-2:	N[6](C[6]C[6]HH)2(CC[6a]C)	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)(CN)	N[6](C[6]C[6]HH)2(CC[6a]C){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)(CN)	124.3720	1.399	2	124.3720	1.956	2	124.3720	1.956	2	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)2(CC[6a]N)	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)(NC[6a])	N[6](C[6]C[6]HH)2(CC[6a]N){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)(NC[6a])	122.0228	1.987	8	120.5846	7.593	22	120.3529	7.636	28	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)2(CC[6a]N)	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)(NC[6a])	N[6](C[6]C[6]HH)2(CC[6a]N){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)(NC[6a])	118.3649	2.247	8	120.5846	7.593	22	120.3529	7.636	28	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)2(CC[6a]N)	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)(NC[6a])	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	122.7785	3.362	2	120.5846	7.593	22	120.3529	7.636	28	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)2(CC[6a]N)	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)(NC[6a])	N[6](C[6]C[6]HH)2(CC[6a]N){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)(NC[6a])	121.0507	2.497	4	120.5846	7.593	22	120.3529	7.636	28	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)2(CC[6a]N)	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)(NC)	N[6](C[6]C[6]HH)2(CC[6a]N){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)(NC)	122.9340	1.851	2	122.9340	3.427	2	120.3529	7.636	28	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)2(CC[6a]N)	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)(NO)	N[6](C[6]C[6]HH)2(CC[6a]N){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)(NO)	117.7880	0.911	4	117.7880	0.829	4	120.3529	7.636	28	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:S-2:	N[6](C[6]C[6]HH)2(CC[6a]S)	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)(SNi)	N[6](C[6]C[6]HH)2(CC[6a]S){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)(SNi)	123.5965	1.544	4	123.5965	2.384	4	123.5965	2.384	4	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:C-2:	N[6](C[6]C[6]HH)2(CCC)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCH)(CC)	N[6](C[6]C[6]HH)2(CCC){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)(CCH)(CC)	117.9660	0.051	2	117.9660	0.003	2	117.9660	0.003	2	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:N-2:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCH)(NH)	N[6](C[6]C[6]HH)2(CCN){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)(CCH)(NH)	117.7725	0.334	2	117.7725	0.112	2	121.3130	13.595	6	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:N-2:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCH)(NS)	N[6](C[6]C[6]HH)2(CCN){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)(CCH)(NS)	123.0833	3.176	4	123.0833	10.086	4	121.3130	13.595	6	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:O-2:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCN)(OPt)	N[6](C[6]C[6]HH)2(CCO){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)(CCN)(OPt)	123.2562	2.927	4	123.2562	8.568	4	123.7565	10.238	15	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:O-2:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCN)(OPt)	N[6](C[6]C[6]HH)2(CCO){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)(OPt)	123.9384	3.410	11	123.9384	11.626	11	123.7565	10.238	15	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:S-2:	N[6](C[6]C[6]HH)2(CCS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCN)(SC)	N[6](C[6]C[6]HH)2(CCS){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)(CCN)(SC)	123.9900	2.324	2	124.0570	3.021	4	123.2892	3.419	6	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:S-2:	N[6](C[6]C[6]HH)2(CCS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCN)(SC)	N[6](C[6]C[6]HH)2(CCS){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)(CCN)(SC)	124.1240	1.909	2	124.0570	3.021	4	123.2892	3.419	6	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:S-2:	N[6](C[6]C[6]HH)2(CCS)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCN)(SC)	N[6](C[6]C[6]HH)2(CCS){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)(CCN)(SC)	121.7535	0.978	2	121.7535	0.956	2	123.2892	3.419	6	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-2:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6]H)(NC[6])	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN){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)(NC[6]H)(NC[6])	122.3870	0.550	4	122.3870	0.302	4	120.3699	8.233	20	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-2:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	N[6](C[6]C[6]HH)2(CNN){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)(NC[6a]C)(NC[6a])	121.0510	2.401	2	121.0510	5.766	2	120.3699	8.233	20	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-2:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]Co)(NP)	N[6](C[6]C[6]HH)2(CNN){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)(NC[6a]Co)(NP)	120.2695	2.374	2	120.2695	5.635	2	120.3699	8.233	20	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-2:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NHH)(NC)	N[6](C[6]C[6]HH)2(CNN){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)(NHH)(NC)	122.8205	1.691	2	122.8205	2.858	2	120.3699	8.233	20	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-2:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NHH)(NH)	N[6](C[6]C[6]HH)2(CNN){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)(NHH)(NH)	121.1190	2.349	2	121.1190	5.518	2	120.3699	8.233	20	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-2:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N[6](C[6]C[6]HH)2(CNN){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)(NC[6a]H)(NC[6a])	115.8105	1.049	2	115.8105	1.100	2	120.3699	8.233	20	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-2:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6]P)(NC[6])	N[6](C[6]C[6]HH)2(CNN){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)(NC[6]P)(NC[6])	115.2630	0.349	2	115.2630	0.122	2	120.3699	8.233	20	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-2:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NHH)(NC)	N[6](C[6]C[6]HH)2(CNN){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)(NHH)(NC)	121.7885	1.039	2	121.7885	1.079	2	120.3699	8.233	20	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-2:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NPtH)(NC)	N[6](C[6]C[6]HH)2(CNN){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)(NPtH)(NC)	120.8035	2.225	2	120.8035	4.952	2	120.3699	8.233	20	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:O-2:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NHH)(OZn)	N[6](C[6]C[6]HH)2(CNO){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)(NHH)(OZn)	122.8388	2.661	8	122.8388	7.082	8	122.8590	4.745	14	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:O-2:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NPtH)(OC)	N[6](C[6]C[6]HH)2(CNO){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)(NPtH)(OC)	122.5927	1.921	4	122.5927	3.690	4	122.8590	4.745	14	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:O-2:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NZnH)(ON)	N[6](C[6]C[6]HH)2(CNO){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)(NZnH)(ON)	123.4725	0.056	2	123.4725	0.003	2	122.8590	4.745	14	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)2(CN[6]N)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)2(NC)	N[6](C[6]C[6]HH)2(CN[6]N){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)2(NC)	119.4712	3.059	6	119.4712	9.359	6	120.4031	6.848	10	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)2(CN[6]N)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)2(NC[5])	N[6](C[6]C[6]HH)2(CN[6]N){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)2(NC[5])	121.8010	0.776	4	121.8010	0.603	4	120.4031	6.848	10	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-3:O-2:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OZn2)(OZn)	N[6](C[6]C[6]HH)2(COO){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)(OZn2)(OZn)	122.6995	0.487	2	122.6995	0.237	2	122.6995	0.237	2	121.4275	6.844	172	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:N-3:	N[6](C[6]C[6]HH)2(CC[5a]N)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a]C)	N[6](C[6]C[6]HH)2(CC[5a]N){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]C[5a]2)(N[6]C[6]2)(NC[6a]C)	122.7893	0.209	6	122.7893	0.044	6	122.5986	0.425	8	122.1892	5.304	107	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:N-3:	N[6](C[6]C[6]HH)2(CC[5a]N)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a]H)	N[6](C[6]C[6]HH)2(CC[5a]N){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[5a]C[5a]2)(N[6]C[6]2)(NC[6a]H)	122.0265	1.374	2	122.0265	1.888	2	122.5986	0.425	8	122.1892	5.304	107	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]HH)2(CC[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6]C[6]2)(N[6]C[6]2)(CCH)	N[6](C[6]C[6]HH)2(CC[6]C){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]2)(N[6]C[6]2)(CCH)	122.3935	1.827	4	122.3935	3.340	4	122.3935	3.340	4	122.1892	5.304	107	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-3:	N[6](C[6]C[6]HH)2(CC[6a]C)	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)(CHN)	N[6](C[6]C[6]HH)2(CC[6a]C){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)(CHN)	123.4030	0.682	2	123.4030	0.465	2	120.9077	6.890	6	122.1892	5.304	107	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-3:	N[6](C[6]C[6]HH)2(CC[6a]C)	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)	N[6](C[6]C[6]HH)2(CC[6a]C){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)	121.5680	0.040	2	121.5680	0.002	2	120.9077	6.890	6	122.1892	5.304	107	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-3:	N[6](C[6]C[6]HH)2(CC[6a]C)	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]C)	N[6](C[6]C[6]HH)2(CC[6a]C){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]C)	117.7520	0.863	2	117.7520	0.744	2	120.9077	6.890	6	122.1892	5.304	107	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6]HH)2(CC[6a]N[6])	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	N[6](C[6]C[6]HH)2(CC[6a]N[6]){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	123.0726	0.996	7	123.0726	0.991	7	123.2740	2.383	15	122.1892	5.304	107	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6]HH)2(CC[6a]N[6])	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)2	N[6](C[6]C[6]HH)2(CC[6a]N[6]){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)2	123.8395	2.601	4	123.4502	3.840	8	123.2740	2.383	15	122.1892	5.304	107	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6]HH)2(CC[6a]N[6])	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)2	N[6](C[6]C[6]HH)2(CC[6a]N[6]){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(C[6a]C[6a]2)(N[6]C[6]2)2	123.0610	1.339	4	123.4502	3.840	8	123.2740	2.383	15	122.1892	5.304	107	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[5]-3:N[6]-3:N-3:	N[6](C[6]C[6]HH)2(CN[5]N)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[5]C[5,6a]N[5])(N[6]C[6]2)(NCC)	N[6](C[6]C[6]HH)2(CN[5]N){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]N[5])(N[6]C[6]2)(NCC)	123.2090	1.004	2	123.2090	1.008	2	123.2090	1.008	2	122.1892	5.304	107	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6]HH)2(CCC)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]O)(CCN)	N[6](C[6]C[6]HH)2(CCC){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[6a]O)(CCN)	122.8905	1.800	2	122.8905	3.239	2	122.0406	10.308	14	122.1892	5.304	107	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6]HH)2(CCC)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCH)(CCO)	N[6](C[6]C[6]HH)2(CCC){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)(CCO)	116.4810	1.848	2	116.4810	3.416	2	122.0406	10.308	14	122.1892	5.304	107	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6]HH)2(CCC)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCH)2	N[6](C[6]C[6]HH)2(CCC){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)(CCH)2	122.9825	2.477	10	122.9825	6.135	10	122.0406	10.308	14	122.1892	5.304	107	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:C-3:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]C)(CII)	N[6](C[6]C[6]HH)2(CCN){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)(NC[6a]C)(CII)	118.2765	1.880	2	118.2765	3.535	2	118.2765	3.535	2	122.1892	5.304	107	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-3:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]C)(NPtH)	N[6](C[6]C[6]HH)2(CNN){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)(NC[6a]C)(NPtH)	122.8794	1.750	20	122.8794	3.061	20	121.7679	5.593	44	122.1892	5.304	107	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-3:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NPtH)(NCH)	N[6](C[6]C[6]HH)2(CNN){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)(NPtH)(NCH)	118.9480	1.903	6	118.9480	3.623	6	121.7679	5.593	44	122.1892	5.304	107	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-3:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NPtH)(NHH)	N[6](C[6]C[6]HH)2(CNN){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)(NPtH)(NHH)	119.6760	1.827	4	119.6760	3.340	4	121.7679	5.593	44	122.1892	5.304	107	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-3:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NCH)(NHH)	N[6](C[6]C[6]HH)2(CNN){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)(NCH)(NHH)	123.1630	0.174	2	123.1630	0.030	2	121.7679	5.593	44	122.1892	5.304	107	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-3:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6]Rh)(NC[6]P)	N[6](C[6]C[6]HH)2(CNN){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)(NC[6]Rh)(NC[6]P)	123.7665	2.003	2	123.7665	4.013	2	121.7679	5.593	44	122.1892	5.304	107	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-3:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]C)(NPtH)	N[6](C[6]C[6]HH)2(CNN){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)(NC[6a]C)(NPtH)	123.0225	1.106	6	123.0225	1.223	6	121.7679	5.593	44	122.1892	5.304	107	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-3:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NHH)2	N[6](C[6]C[6]HH)2(CNN){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)(NHH)2	118.9540	0.609	4	118.9540	0.370	4	121.7679	5.593	44	122.1892	5.304	107	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]HH)2(CN[6]C)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)2(CSS)	N[6](C[6]C[6]HH)2(CN[6]C){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)2(CSS)	123.4090	1.092	4	123.4090	1.193	4	123.4090	1.193	4	122.1892	5.304	107	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:P-3:	N[6](C[6]C[6]HH)2(CN[6]P)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)2(PC[6a]C)	N[6](C[6]C[6]HH)2(CN[6]P){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)2(PC[6a]C)	123.2951	1.377	8	123.2951	1.897	8	123.2951	1.897	8	122.1892	5.304	107	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:C-4:	N[6](C[6]C[6]HH)2(CCC)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[4]C)(CH3)	N[6](C[6]C[6]HH)2(CCC){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[4]C)(CH3)	123.8215	0.139	2	123.8215	0.019	2	123.8215	0.019	2	122.7110	1.565	10	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:C-4:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NReH)(CH3)	N[6](C[6]C[6]HH)2(CCN){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)(NReH)(CH3)	121.9952	1.170	4	121.9952	1.370	4	122.4334	1.569	8	122.7110	1.565	10	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:C-4:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NReH)(CH3)	N[6](C[6]C[6]HH)2(CCN){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)(NReH)(CH3)	123.9610	0.283	2	123.9610	0.080	2	122.4334	1.569	8	122.7110	1.565	10	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:C-4:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NReH)(CH3)	N[6](C[6]C[6]HH)2(CCN){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)(NReH)(CH3)	121.7820	0.714	2	121.7820	0.510	2	122.4334	1.569	8	122.7110	1.565	10	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[5,5,6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-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(N[6]C[5,5,6]C[6])(CH3)(O)	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(N[6]C[5,5,6]C[6])(CH3)(O)	116.6970	2.019	2	116.6970	4.078	2	116.6970	4.078	2	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CCO)	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])(CF3)(O)	N[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CCO){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2{2|C<4>,3|C<3>}	C(N[6]C[6,6]C[6])(CF3)(O)	126.8670	0.000	1	126.8670	0.000	1	126.2137	1.853	3	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(CF3)(O)	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CCO){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])(CF3)(O)	127.1250	0.000	1	127.1250	0.000	1	126.2137	1.853	3	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)	C[6](C[6]N[6,6]HH)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(CC[6a]HH)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO){1|C<4>,2|N<3>,5|H<1>}	C[6](C[6]N[6,6]HH)(N[6]C[6,6]C)(H)2{1|H<1>,3|C<4>}	C(N[6]C[6,6]C[6])(CC[6a]HH)(O)	124.6490	0.000	1	124.6490	0.000	1	126.2137	1.853	3	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[3x6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CCO)	C[6](C[3x6]C[3x6]2C[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CCO){5|C<4>}	C[6](C[3x6]C[3x6]2C[6])(N[6]C[6]C)(H)2{5|C<4>,6|H<1>}	C(N[6]C[6]2)(CH3)(O)	119.8040	0.000	1	119.8040	0.000	1	119.8040	0.000	1	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5,5,6,6]HH)2(CCO)	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(N[6]C[6]2)(CF3)(O)	N[6](C[6]C[5,5,6,6]HH)2(CCO){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|C<4>,4|H<1>}	C(N[6]C[6]2)(CF3)(O)	117.9065	0.057	2	122.0745	18.585	6	121.9343	13.918	10	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5,5,6,6]HH)2(CCO)	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(N[6]C[6]2)(CF3)(O)	N[6](C[6]C[5,5,6,6]HH)2(CCO){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(N[6]C[6]2)(CF3)(O)	126.5445	0.197	2	122.0745	18.585	6	121.9343	13.918	10	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5,5,6,6]HH)2(CCO)	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(N[6]C[6]2)(CF3)(O)	N[6](C[6]C[5,5,6,6]HH)2(CCO){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{2|C<3>,3|C<4>,3|H<1>}	C(N[6]C[6]2)(CF3)(O)	121.7725	4.242	2	122.0745	18.585	6	121.9343	13.918	10	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5,5,6,6]HH)2(CCO)	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(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[5,5,6,6]HH)2(CCO){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|C<4>,4|H<1>}	C(N[6]C[6]2)(CH3)(O)	119.0550	0.000	1	121.7240	10.682	4	121.9343	13.918	10	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5,5,6,6]HH)2(CCO)	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(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[5,5,6,6]HH)2(CCO){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{2|C<3>,3|C<4>,3|H<1>}	C(N[6]C[6]2)(CH3)(O)	122.6137	3.358	3	121.7240	10.682	4	121.9343	13.918	10	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]CO)(O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(N[6]C[6]2)(CC[6a]CO)(O)	118.9410	0.000	1	118.9410	0.000	1	120.2779	12.140	7	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)	C[6](C[5,6]C[5,6a]C[5,6]C[5a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHO)(O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C(N[6]C[6]2)(CHHO)(O)	121.3010	0.000	1	120.7535	0.600	2	120.2779	12.140	7	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)	C[6](C[5,6]C[5,6a]C[5,6]C[5a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHO)(O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C(N[6]C[6]2)(CHHO)(O)	120.2060	0.000	1	120.7535	0.600	2	120.2779	12.140	7	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5,6]HH)2(CCO)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CF3)(O)	N[6](C[6]C[5,6]HH)2(CCO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(N[6]C[6]2)(CF3)(O)	118.6750	6.566	2	118.6750	43.115	2	120.2779	12.140	7	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(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)(CCHH)(O)	119.3080	0.000	1	119.3080	0.000	1	120.2779	12.140	7	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	C(N[6]C[6]2)(CH3)(O)	124.8390	0.000	1	124.8390	0.000	1	120.2779	12.140	7	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CCO)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CCO){5|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6]C)(H)2{3|C<4>,5|H<1>}	C(N[6]C[6]2)(CH3)(O)	124.4630	0.000	1	124.4630	0.000	1	121.3132	8.393	17	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]CH)(O)	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCO){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)(CC[6a]CH)(O)	118.5000	0.000	1	118.5000	0.000	1	121.3132	8.393	17	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CF3)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO){1|C<3>,2|C<4>,2|H<1>}	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>,1|O<2>,2|H<1>}	C(N[6]C[6]2)(CF3)(O)	118.6970	0.433	3	118.6970	0.188	3	121.3132	8.393	17	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO){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(N[6]C[6]2)(CCHH)(O)	120.9250	0.932	2	120.9250	0.869	2	121.3132	8.393	17	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6]HH)2(CCO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHN)(O)	N[6](C[6]C[6,6]HH)2(CCO){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)(CCHN)(O)	122.0320	4.146	2	122.0320	17.193	2	121.3132	8.393	17	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6]HH)2(CCO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CClHH)(O)	N[6](C[6]C[6,6]HH)2(CCO){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>,2|O<2>,4|H<1>}	C(N[6]C[6]2)(CClHH)(O)	121.8522	3.356	4	121.8522	11.263	4	121.3132	8.393	17	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6]HH)2(CCO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6,6]HH)2(CCO){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)(CH3)(O)	122.4870	3.449	4	122.4870	11.897	4	121.3132	8.393	17	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]CO)(O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO){1|C<3>,1|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)(CC[6a]CO)(O)	127.9290	0.000	1	127.9290	0.000	1	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHO)(O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(N[6]C[6]2)(CHHO)(O)	125.7750	0.000	1	125.6415	0.036	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHO)(O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO){2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C(N[6]C[6]2)(CHHO)(O)	125.5080	0.000	1	125.6415	0.036	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(O)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCO){1|C<3>,1|S<2>,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)(O)	118.8100	0.000	1	118.8100	0.000	1	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CClHH)(O)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCO){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)(CClHH)(O)	125.4660	0.000	1	125.4660	0.000	1	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[6]HH)(O)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCO){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)(CN[6]HH)(O)	124.2543	1.478	3	124.2543	2.184	3	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CF3)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO){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|O<2>,2|H<1>}	C(N[6]C[6]2)(CF3)(O)	127.2313	0.913	3	127.2313	0.834	3	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCCH)(O)	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO){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|C<4>,2|C<3>}	C(N[6]C[6]2)(CCCH)(O)	123.1775	0.264	2	123.1775	0.070	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO){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)(CH3)(O)	120.7370	0.000	1	120.7370	0.000	1	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCCH)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){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(N[6]C[6]2)(CCCH)(O)	126.3600	0.017	2	126.3600	0.000	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){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)(CCHH)(O)	119.4675	1.112	2	119.4675	1.237	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CClHH)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){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)(CClHH)(O)	121.4060	4.158	3	121.4060	17.286	3	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CClHH)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO){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)(CClHH)(O)	125.3380	0.000	1	125.3380	0.000	1	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHN)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){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)(CCHN)(O)	126.0980	0.000	1	126.0980	0.000	1	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]HH)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){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[6a]HH)(O)	124.6790	0.650	4	124.6790	0.422	4	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){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)(O)	123.7240	0.000	1	123.6740	0.005	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){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)(CH3)(O)	123.6240	0.000	1	123.6740	0.005	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHN)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){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)(CHHN)(O)	123.4820	0.000	1	123.4820	0.000	1	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HW)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HW)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|H<1>}	C(N[6]C[6]2)(CH3)(O)	124.9820	0.000	1	125.0890	0.023	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HW)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|W<7>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HW)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(CH3)(O)	125.1960	0.000	1	125.0890	0.023	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CF3)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){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>,1|S<4>,2|C<4>}	C(N[6]C[6]2)(CF3)(O)	126.9870	0.000	1	126.9870	0.000	1	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHN)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){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>,2|C<4>}	C(N[6]C[6]2)(CHHN)(O)	123.8515	6.827	2	123.8515	46.610	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCO)	C[6](C[6]C[6]OO)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(O)	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCO){1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]C[6]OO)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	C(N[6]C[6]2)(CCHH)(O)	122.3030	2.178	2	122.3030	4.743	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	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)(O)	N[6](C[6]C[6]HH)2(CCO){2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(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)(O)	120.6135	0.265	2	120.6135	0.070	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[5a]HH)(O)	N[6](C[6]C[6]HH)2(CCO){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(CC[5a]HH)(O)	120.5820	0.000	1	120.5820	0.000	1	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]CO)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[5a]HH)(O)	N[6](C[6]C[6]HH)2(CCO){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(CC[5a]HH)(O)	123.7570	0.000	1	123.7570	0.000	1	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCCH)(O)	N[6](C[6]C[6]HH)2(CCO){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)(CCCH)(O)	122.5180	4.352	2	122.5180	18.936	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCFF)(O)	N[6](C[6]C[6]HH)2(CCO){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)(CCFF)(O)	123.1937	5.015	8	123.1937	25.147	8	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(O)	N[6](C[6]C[6]HH)2(CCO){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>,4|H<1>}	C(N[6]C[6]2)(CCHH)(O)	119.9830	0.000	1	123.0198	8.475	10	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(O)	N[6](C[6]C[6]HH)2(CCO){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(N[6]C[6]2)(CCHH)(O)	126.5300	0.000	1	123.0198	8.475	10	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(O)	N[6](C[6]C[6]HH)2(CCO){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)(O)	122.9960	2.979	6	123.0198	8.475	10	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(O)	N[6](C[6]C[6]HH)2(CCO){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)(O)	122.8545	3.210	2	123.0198	8.475	10	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHN)(O)	N[6](C[6]C[6]HH)2(CCO){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)(CCHN)(O)	122.7630	5.201	2	122.7630	27.055	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[5a]HH)(O)	N[6](C[6]C[6]HH)2(CCO){2|C<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)(CC[5a]HH)(O)	117.0060	0.380	2	117.0060	0.145	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]CH)(O)	N[6](C[6]C[6]HH)2(CCO){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[6a]CH)(O)	123.2818	4.181	4	123.2818	17.484	4	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCl2C)(O)	N[6](C[6]C[6]HH)2(CCO){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)(CCl2C)(O)	123.3495	6.298	2	123.3495	39.667	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCl2H)(O)	N[6](C[6]C[6]HH)2(CCO){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)(CCl2H)(O)	123.1830	5.332	2	123.1830	28.426	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CF3)(O)	N[6](C[6]C[6]HH)2(CCO){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)(CF3)(O)	122.8435	6.454	2	122.8435	41.651	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]HH)2(CCO){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)(O)	122.1515	2.698	4	122.1515	7.278	4	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHN)(O)	N[6](C[6]C[6]HH)2(CCO){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)(O)	122.6697	2.710	26	122.7729	7.110	38	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHN)(O)	N[6](C[6]C[6]HH)2(CCO){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)(CHHN)(O)	122.9965	2.673	12	122.7729	7.110	38	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHO)(O)	N[6](C[6]C[6]HH)2(CCO){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)(CHHO)(O)	123.1332	2.926	12	123.1892	8.536	14	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHO)(O)	N[6](C[6]C[6]HH)2(CCO){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)(O)	123.5255	4.062	2	123.1892	8.536	14	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CMoCH)(O)	N[6](C[6]C[6]HH)2(CCO){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)(CMoCH)(O)	123.0180	5.093	2	123.0180	25.934	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(O)	N[6](C[6]C[6]HH)2(CCO){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6]2)(CCHH)(O)	124.1760	0.000	1	121.8715	10.621	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(O)	N[6](C[6]C[6]HH)2(CCO){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(N[6]C[6]2)(CCHH)(O)	119.5670	0.000	1	121.8715	10.621	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(O)	N[6](C[6]C[6]HH)2(CCO){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)(O)	122.7195	3.662	2	123.2428	10.220	4	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(O)	N[6](C[6]C[6]HH)2(CCO){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)(O)	123.7660	4.019	2	123.2428	10.220	4	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]CO)(O)	N[6](C[6]C[6]HH)2(CCO){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]CO)(O)	123.7340	5.889	2	123.7340	34.678	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CClHH)(O)	N[6](C[6]C[6]HH)2(CCO){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)(O)	122.8865	3.305	6	123.2941	9.204	10	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CClHH)(O)	N[6](C[6]C[6]HH)2(CCO){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)(CClHH)(O)	123.9055	2.928	4	123.2941	9.204	10	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]HH)2(CCO){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)(O)	123.0454	2.485	24	122.9781	6.168	26	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]HH)2(CCO){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)(O)	122.1700	3.275	2	122.9781	6.168	26	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHO)(O)	N[6](C[6]C[6]HH)2(CCO){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)(O)	123.1492	2.806	4	123.1492	7.873	4	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[6]HH)(O)	N[6](C[6]C[6]HH)2(CCO){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]HH)(O)	123.5555	4.331	2	123.5555	18.758	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[6a]HH)(O)	N[6](C[6]C[6]HH)2(CCO){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[6a]HH)(O)	123.3385	3.877	2	123.3385	15.032	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CB[5]CH)(O)	N[6](C[6]C[6]HH)2(CCO){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)(CB[5]CH)(O)	123.3205	5.655	2	123.3205	31.976	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCCH)(O)	N[6](C[6]C[6]HH)2(CCO){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)(CCCH)(O)	123.4193	4.394	8	123.4193	19.304	8	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCFH)(O)	N[6](C[6]C[6]HH)2(CCO){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)(CCFH)(O)	123.4410	7.082	2	123.4410	50.160	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(O)	N[6](C[6]C[6]HH)2(CCO){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)(O)	123.6282	3.325	6	123.6282	11.056	6	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHN)(O)	N[6](C[6]C[6]HH)2(CCO){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)(O)	124.1535	4.805	2	124.1535	23.086	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[5a]HS)(O)	N[6](C[6]C[6]HH)2(CCO){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[5a]HS)(O)	123.5010	4.810	2	123.5010	23.134	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6]HH)(O)	N[6](C[6]C[6]HH)2(CCO){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]HH)(O)	122.9715	3.766	4	122.9715	14.185	4	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]CH)(O)	N[6](C[6]C[6]HH)2(CCO){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]CH)(O)	123.5825	3.925	10	123.5825	15.405	10	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]FF)(O)	N[6](C[6]C[6]HH)2(CCO){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]FF)(O)	123.3450	5.670	2	123.3450	32.144	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]HN)(O)	N[6](C[6]C[6]HH)2(CCO){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]HN)(O)	123.4470	4.148	2	123.4470	17.205	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]HH)2(CCO){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)(CH3)(O)	122.7435	2.935	2	122.7435	8.615	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHO)(O)	N[6](C[6]C[6]HH)2(CCO){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)(O)	122.5607	2.600	4	122.5607	6.761	4	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CN[5]HH)(O)	N[6](C[6]C[6]HH)2(CCO){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)(O)	123.7440	3.268	2	123.7440	10.681	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CPdFF)(O)	N[6](C[6]C[6]HH)2(CCO){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)(CPdFF)(O)	124.2185	7.045	2	124.2185	49.631	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHS)(O)	N[6](C[6]C[6]HH)2(CCO){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)(O)	122.6540	3.407	2	122.6540	11.607	2	123.1685	9.937	237	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:S-1:	N[6](C[6]C[6]HH)2(CCS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[5]HH)(S)	N[6](C[6]C[6]HH)2(CCS){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)(S)	124.1118	1.753	4	124.1118	3.073	4	124.1390	2.622	8	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:S-1:	N[6](C[6]C[6]HH)2(CCS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]HH)(S)	N[6](C[6]C[6]HH)2(CCS){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)(S)	124.1662	1.744	4	124.1662	3.042	4	124.1390	2.622	8	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	P[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO)	C[6](P[6,6]C[6,6]C[6]Cu)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO){1|Cu<4>,3|C<4>}	C[6](P[6,6]C[6,6]C[6]Cu)(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	C(N[6]C[6]2)(CH3)(O)	121.0327	3.144	4	121.0327	9.887	4	120.3817	8.904	8	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	P[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO)	C[6](P[6,6]C[6,6]C[6]Mo)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO){1|Mo<9>,3|C<4>}	C[6](P[6,6]C[6,6]C[6]Mo)(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	C(N[6]C[6]2)(CH3)(O)	118.1965	0.045	2	118.1965	0.002	2	120.3817	8.904	8	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	P[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO)	C[6](P[6,6]C[6,6]C[6]Pt)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO){1|Pt<4>,3|C<4>}	C[6](P[6,6]C[6,6]C[6]Pt)(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	C(N[6]C[6]2)(CH3)(O)	121.2650	4.456	2	121.2650	19.858	2	120.3817	8.904	8	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	Si[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]Si[6]HH)2(CCO)	C[6](Si[6]O[6]CC)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHHN)(O)	N[6](C[6]Si[6]HH)2(CCO){1|O<2>,4|C<4>}	C[6](Si[6]O[6]CC)(N[6]C[6]C)(H)2{1|Si<4>,2|H<1>}	C(N[6]C[6]2)(CHHN)(O)	122.2695	3.631	2	122.2695	13.184	2	122.2695	13.184	2	122.8715	10.475	295	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:N-2:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]HH)(NC[5a])	N[6](C[6]C[6]HH)2(CCN){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[6a]HH)(NC[5a])	122.3890	4.583	2	122.3890	21.008	2	123.2375	4.609	8	123.5393	3.407	12	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:N-2:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(NH)	N[6](C[6]C[6]HH)2(CCN){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)(CH3)(NH)	123.8110	0.349	2	123.8110	0.122	2	123.2375	4.609	8	123.5393	3.407	12	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:N-2:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(NRe)	N[6](C[6]C[6]HH)2(CCN){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)(NRe)	123.0625	0.838	2	123.0625	0.702	2	123.2375	4.609	8	123.5393	3.407	12	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:N-2:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]HH)(NC[6a])	N[6](C[6]C[6]HH)2(CCN){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)(NC[6a])	123.6875	2.805	2	123.6875	7.869	2	123.2375	4.609	8	123.5393	3.407	12	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:S-2:	N[6](C[6]C[6]HH)2(CCS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(SCd)	N[6](C[6]C[6]HH)2(CCS){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)(SCd)	124.1430	1.005	4	124.1430	1.010	4	124.1430	1.010	4	123.5393	3.407	12	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-3:	N[6](C[6]C[6]HH)2(CCC)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(CCC)	N[6](C[6]C[6]HH)2(CCC){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)(CCC)	124.6841	1.471	8	124.6841	2.163	8	124.4721	1.888	10	124.2092	1.927	12	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:C-3:	N[6](C[6]C[6]HH)2(CCC)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(CCC)	N[6](C[6]C[6]HH)2(CCC){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)(CCC)	123.6240	0.219	2	123.6240	0.048	2	124.4721	1.888	10	124.2092	1.927	12	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:N-3:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(NHH)	N[6](C[6]C[6]HH)2(CCN){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)(CH3)(NHH)	122.8950	0.242	2	122.8950	0.058	2	122.8950	0.058	2	124.2092	1.927	12	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[5]O)	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)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[5]O){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)(O)	127.7370	0.000	1	127.7370	0.000	1	127.7370	0.000	1	123.2887	13.913	56	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6]O)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2	C(C[6]C[6]2H)(N[6]C[6]2)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6]O){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[6]C[6]2H)(N[6]C[6]2)(O)	122.6440	0.000	1	122.6440	0.000	1	122.6440	0.000	1	123.2887	13.913	56	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[3]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[3]C[6a]C[3]2)(N[6]C[6]2)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]O){2|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[3]C[6a]C[3]2)(N[6]C[6]2)(O)	118.6790	0.000	1	118.6790	0.000	1	122.6859	14.883	10	123.2887	13.913	56	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[3]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]O)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(C[3]C[3]O[3]C)(N[6]C[6]2)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]O){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<3>,1|H<1>,2|C<4>}	C(C[3]C[3]O[3]C)(N[6]C[6]2)(O)	124.5550	0.000	1	124.5550	0.000	1	122.6859	14.883	10	123.2887	13.913	56	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[3]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[3]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[3]C[6a]C[3]2)(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CC[3]O){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[3]C[6a]C[3]2)(N[6]C[6]2)(O)	122.0730	4.349	2	122.0730	18.911	2	122.6859	14.883	10	123.2887	13.913	56	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[3]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[3]O)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[3]C[3]2H)(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CC[3]O){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]2H)(N[6]C[6]2)(O)	123.2840	4.917	4	123.2840	24.174	4	122.6859	14.883	10	123.2887	13.913	56	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[3]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[3]O)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[3]C[6a]C[3]2)(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CC[3]O){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[6a]C[3]2)(N[6]C[6]2)(O)	123.1715	4.506	2	123.1715	20.308	2	122.6859	14.883	10	123.2887	13.913	56	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[5,5,6]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CC[5,5,6]O){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[5,5,6]C[5,5]C[5,6]O[5,6])(N[6]C[6]2)(O)	123.8110	6.196	2	123.8110	38.386	2	123.8110	38.386	2	123.2887	13.913	56	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[5]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[5]C[5]N[5]H)(N[6]C[6]2)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[5]O){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[5]C[5]N[5]H)(N[6]C[6]2)(O)	123.8590	0.000	1	123.8590	0.000	1	123.1921	8.176	11	123.2887	13.913	56	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[5]O)	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)(O)	N[6](C[6]C[6]HH)2(CC[5]O){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)(O)	122.8095	3.399	2	122.8095	11.554	2	123.1921	8.176	11	123.2887	13.913	56	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[5]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[5]C[5]N[5]H)(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CC[5]O){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]H)(N[6]C[6]2)(O)	123.0162	3.033	6	123.0162	9.197	6	123.1921	8.176	11	123.2887	13.913	56	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[5]O)	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)(O)	N[6](C[6]C[6]HH)2(CC[5]O){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)(O)	123.7690	4.757	2	123.7690	22.633	2	123.1921	8.176	11	123.2887	13.913	56	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-4:N[6]-3:S-1:	N[6](C[6]C[6]HH)2(CC[5]S)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[5]C[5]2Fe)(N[6]C[6]2)(S)	N[6](C[6]C[6]HH)2(CC[5]S){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]2Fe)(N[6]C[6]2)(S)	123.7075	2.890	2	123.7075	8.352	2	123.7075	8.352	2	123.2887	13.913	56	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6]C[5,6]C[6]H)(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CC[6]O){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[5,6]C[6]H)(N[6]C[6]2)(O)	123.5900	3.168	4	123.5900	10.034	4	123.5880	19.207	22	123.2887	13.913	56	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6]C[6,6]C[6]C)(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CC[6]O){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[6,6]C[6]C)(N[6]C[6]2)(O)	123.8870	7.207	2	123.8870	51.938	2	123.5880	19.207	22	123.2887	13.913	56	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6]O)	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)(O)	N[6](C[6]C[6]HH)2(CC[6]O){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[6,6]C[6]H)(N[6]C[6]2)(O)	123.6298	4.287	4	123.6298	18.378	4	123.5880	19.207	22	123.2887	13.913	56	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[6]C[6,6a]N[6]O)(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CC[6]O){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[6,6a]N[6]O)(N[6]C[6]2)(O)	122.8543	5.447	4	122.8543	29.674	4	123.5880	19.207	22	123.2887	13.913	56	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6]O)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[6]C[6]2H)(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CC[6]O){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]2H)(N[6]C[6]2)(O)	124.3145	5.283	2	124.3145	27.908	2	123.5880	19.207	22	123.2887	13.913	56	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6]O)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[6]C[5,6]C[6]H)(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CC[6]O){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[5,6]C[6]H)(N[6]C[6]2)(O)	123.2170	5.107	2	123.2170	26.079	2	123.5880	19.207	22	123.2887	13.913	56	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6]O)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[6]C[6,6]C[6]C)(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CC[6]O){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[6,6]C[6]C)(N[6]C[6]2)(O)	123.9510	6.297	4	123.9510	39.652	4	123.5880	19.207	22	123.2887	13.913	56	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:S-1:	N[6](C[6]C[6]HH)2(CC[6]S)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(C[6]C[6]2H)(N[6]C[6]2)(S)	N[6](C[6]C[6]HH)2(CC[6]S){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]2H)(N[6]C[6]2)(S)	123.9840	2.647	2	123.9840	7.009	2	123.9840	7.009	2	123.2887	13.913	56	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	Si[6]-4:N[6]-3:H-1:H-1:	C[5]-4:N[6]-3:O-1:	N[6](C[6]Si[6]HH)2(CC[5]O)	C[6](Si[6]O[6]CC)(N[6]C[6]C)(H)2	C(C[5]C[5]N[5]H)(N[6]C[6]2)(O)	N[6](C[6]Si[6]HH)2(CC[5]O){1|O<2>,4|C<4>}	C[6](Si[6]O[6]CC)(N[6]C[6]C)(H)2{1|Si<4>,2|H<1>}	C(C[5]C[5]N[5]H)(N[6]C[6]2)(O)	121.9744	3.742	5	121.9744	14.000	5	121.9744	14.000	5	123.2887	13.913	56	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-4:N[6]-3:C-3:	N[6](C[6]C[6]HH)2(CC[5]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(C[5]C[5]2Zr)(N[6]C[6]2)(CHH)	N[6](C[6]C[6]HH)2(CC[5]C){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]2Zr)(N[6]C[6]2)(CHH)	116.1767	0.722	4	116.1767	0.522	4	116.1767	0.522	4	119.5244	13.885	8	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	P-4:N[6]-3:N[6]-3:	N[6](C[6]C[6]HH)2(CN[6]P)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(PC[6a]2Pt)(N[6]C[6]2)2	N[6](C[6]C[6]HH)2(CN[6]P){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(PC[6a]2Pt)(N[6]C[6]2)2	122.8720	1.411	4	122.8720	1.992	4	122.8720	1.992	4	119.5244	13.885	8	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:2:1:	3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:O-2:H-1:	N[6]-3:H-1:O-1:	N[6](C[6]C[6]HO)2(CHO)	C[6](C[6]N[6]HO)(N[6]C[6]C)(OC)(H)	C(N[6]C[6]2)(H)(O)	N[6](C[6]C[6]HO)2(CHO){1|N<3>,2|H<1>,2|O<2>}	C[6](C[6]N[6]HO)(N[6]C[6]C)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(N[6]C[6]2)(H)(O)	120.1453	0.644	4	120.1453	0.414	4	120.1453	0.414	4	120.1453	0.414	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:O-2:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]2H)(C[6]C[6]HO)(COO)	C[6](C[6]C[6]2H)(N[6]C[6]C)(OH)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]2H)(C[6]C[6]HO)(COO){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(N[6]C[6]C)(OH)(H){1|N<3>,3|C<4>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	118.6730	0.000	1	118.6730	0.000	1	118.6730	0.000	1	118.6730	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:2:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-2:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H){1|C<4>,1|W<7>,2|H<1>}	C(N[6]C[6]2)(CH3)(O)	120.3460	0.000	1	120.0120	0.223	2	120.0120	0.223	2	120.0120	0.223	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:2:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-2:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|W<7>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H){1|C<4>,1|W<7>,3|H<1>}	C(N[6]C[6]2)(CH3)(O)	119.6780	0.000	1	120.0120	0.223	2	120.0120	0.223	2	120.0120	0.223	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:H-1:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)	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)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO){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>,3|H<1>,5|C<3>}	C(N[6]C[6]2)(H)(O)	120.4800	0.000	1	120.4800	0.000	1	120.6420	0.052	2	120.6420	0.052	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:H-1:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHO)	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)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHO){1|C<4>,1|N<3>,2|H<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>,4|H<1>,5|C<3>}	C(N[6]C[6]2)(H)(O)	120.8040	0.000	1	120.8040	0.000	1	120.6420	0.052	2	120.6420	0.052	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:C-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(N[6]C[6]C)(COO)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(N[6]C[6]C)(COO)(H){2|C<4>,2|H<1>,3|C<3>}	C(N[6]C[6]2)(OC)(O)	114.3190	0.000	1	114.3190	0.000	1	114.3190	0.000	1	120.3507	9.953	9	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(COO){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6]C)(H){1|C<3>,3|C<4>,7|H<1>}	C(N[6]C[6]2)(OC)(O)	118.4060	0.000	2	118.4060	0.000	2	118.4060	0.000	2	120.3507	9.953	9	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	C(N[6]C[6]2)(OC)(O)	120.2220	0.000	1	120.2220	0.000	1	120.2220	0.000	1	120.3507	9.953	9	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(COO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(COO){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)(OC)(O)	120.9515	0.837	2	120.9515	0.700	2	122.3606	3.865	5	120.3507	9.953	9	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CNO)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CNO)(H){1|O<2>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	122.5980	0.000	1	122.5980	0.000	1	122.3606	3.865	5	120.3507	9.953	9	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(COO)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(COO)(H){1|C<3>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	125.5750	0.000	1	125.5750	0.000	1	122.3606	3.865	5	120.3507	9.953	9	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HP)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HP)(COO){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|P<4>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	121.7270	0.000	1	121.7270	0.000	1	122.3606	3.865	5	120.3507	9.953	9	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]C[6a]H)2(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6,6]C[6a]H)2(CC[6a]O){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|C<4>,1|S<2>,4|C<3>,6|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	119.5140	2.247	2	119.5140	5.050	2	119.5140	5.050	2	120.4988	14.418	9	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)2(CC[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHH)(H)	C(C[6]C[6]2)(N[6]C[6]2)(O)	N[6](C[6]C[6]CH)2(CC[6]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2)(N[6]C[6]2)(O)	118.3020	0.000	1	118.3020	0.000	1	118.3020	0.000	1	120.4988	14.418	9	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)	C[6](C[6]C[6]CC)(N[6]C[6]C)(COO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(COO)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	124.3630	0.000	1	124.3630	0.000	1	120.9195	23.715	2	120.4988	14.418	9	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]O)	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	117.4760	0.000	1	117.4760	0.000	1	120.9195	23.715	2	120.4988	14.418	9	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:C-3:O-1:	N[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]CH)(CCO)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H)	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]CH)(CCO){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H){1|H<1>,3|C<3>}	C(N[6]C[6]2)(CCH)(O)	118.4080	0.000	1	118.4080	0.000	1	117.0875	3.487	2	120.4988	14.418	9	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:C-3:O-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CCO){3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(N[6]C[6]2)(CCH)(O)	115.7670	0.000	1	115.7670	0.000	1	117.0875	3.487	2	120.4988	14.418	9	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CNO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H)	C(N[6]C[6]2)(NCH)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CNO){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)(NCH)(O)	125.5725	1.100	2	125.5725	1.209	2	125.5725	1.209	2	120.4988	14.418	9	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:N-3:N-2:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	C(N[6]C[6]2)(NC[6]H)(NC[6])	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(NC[6]H)(NC[6])	119.7742	0.418	4	119.7742	0.175	4	119.7742	0.175	4	119.7742	0.175	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6]C[6a]H)2(CCO)	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)(CC[6a]HH)(O)	N[6](C[6]C[6,6]C[6a]H)2(CCO){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|C<4>,1|S<2>,4|C<3>,6|H<1>}	C(N[6]C[6]2)(CC[6a]HH)(O)	118.6855	2.716	2	118.6855	7.377	2	116.1587	12.186	6	118.0484	10.747	15	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6]C[6a]H)2(CCO)	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)(CH3)(O)	N[6](C[6]C[6,6]C[6a]H)2(CCO){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)(CH3)(O)	114.8953	3.386	4	114.8953	11.466	4	116.1587	12.186	6	118.0484	10.747	15	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(CCO)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(CCO){2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<2>,3|H<1>,4|C<3>}	C(N[6]C[6]2)(CH3)(O)	121.1490	0.355	2	121.1490	0.126	2	120.7435	6.709	4	118.0484	10.747	15	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCHH)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C(N[6]C[6]2)(CCHH)(O)	123.4480	0.000	1	123.4480	0.000	1	120.7435	6.709	4	118.0484	10.747	15	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C(N[6]C[6]2)(CH3)(O)	117.2280	0.000	1	117.2280	0.000	1	120.7435	6.709	4	118.0484	10.747	15	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(COO)(H)	C(N[6]C[6]2)(CCHN)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCO){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(COO)(H){2|C<3>,2|H<1>}	C(N[6]C[6]2)(CCHN)(O)	115.5840	0.000	1	115.5840	0.000	1	118.1600	4.713	5	118.0484	10.747	15	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	C(N[6]C[6]2)(CCHN)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(CCHN)(O)	116.2600	0.000	1	116.2600	0.000	1	118.1600	4.713	5	118.0484	10.747	15	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(CH3)(O)	119.3410	0.000	1	119.3410	0.000	1	118.1600	4.713	5	118.0484	10.747	15	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	C(N[6]C[6]2)(CHHN)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(CHHN)(O)	118.8630	0.000	1	118.8630	0.000	1	118.1600	4.713	5	118.0484	10.747	15	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO)(H){1|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6]2)(CH3)(O)	120.7520	0.000	1	120.7520	0.000	1	118.1600	4.713	5	118.0484	10.747	15	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C[5]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[5]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	C(C[5]C[5]N[5]H)(N[6]C[6]2)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[5]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	C(C[5]C[5]N[5]H)(N[6]C[6]2)(O)	118.0070	0.000	1	118.0070	0.000	1	118.0070	0.000	1	118.0070	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:2:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:C-2:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CC)(C[6]C[6]CH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN){2|C<4>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	120.2080	0.000	1	120.2080	0.000	1	120.2080	0.000	1	120.2080	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:2:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:C-2:	N[6]-3:N-3:O-1:	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN)	C(N[6]C[6]2)(NCC)(O)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN){2|C<4>,3|H<1>}	C(N[6]C[6]2)(NCC)(O)	113.1740	0.000	1	113.1740	0.000	1	113.1740	0.000	1	113.1740	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:1:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:H-1:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]2)(H)(O)	120.4640	0.000	1	120.4640	0.000	1	120.4640	0.000	1	120.4640	0.000	1	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CHHO)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO){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)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	122.7080	0.000	1	122.7080	0.000	1	122.7080	0.000	1	119.4770	7.713	25	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CC)(C[6]C[6]CH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	117.0260	0.000	1	117.0260	0.000	1	119.3959	7.848	23	119.4770	7.713	25	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){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)(OC)(O)	119.1780	0.000	2	119.1780	0.000	2	119.3959	7.848	23	119.4770	7.713	25	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	122.2150	0.000	1	122.2150	0.000	1	119.3959	7.848	23	119.4770	7.713	25	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	123.7980	0.000	1	120.4703	8.501	3	119.3959	7.848	23	119.4770	7.713	25	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	118.3640	0.000	1	120.4703	8.501	3	119.3959	7.848	23	119.4770	7.713	25	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	119.2490	0.000	1	120.4703	8.501	3	119.3959	7.848	23	119.4770	7.713	25	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	121.8850	0.000	1	121.8850	0.000	1	119.3959	7.848	23	119.4770	7.713	25	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|Mo<8>,1|C<4>,2|H<1>}	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CCHH)(H){1|C<4>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	119.4250	0.000	1	119.4250	0.000	1	119.3959	7.848	23	119.4770	7.713	25	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]N[6]CH)(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|S<4>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	123.9050	0.000	1	123.9050	0.000	1	119.3959	7.848	23	119.4770	7.713	25	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	119.5160	0.000	1	119.5160	0.000	1	119.3959	7.848	23	119.4770	7.713	25	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)2(COO)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)2(COO){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	C(N[6]C[6]2)(OC)(O)	121.8100	0.000	1	121.8100	0.000	1	119.3959	7.848	23	119.4770	7.713	25	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)2(COO)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)2(COO){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C(N[6]C[6]2)(OC)(O)	117.6550	0.000	1	117.6550	0.000	1	119.3959	7.848	23	119.4770	7.713	25	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)2(COO){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C(N[6]C[6]2)(OC)(O)	119.3775	4.672	2	118.3530	14.062	3	119.3959	7.848	23	119.4770	7.713	25	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)2(COO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	116.3040	0.000	1	118.3530	14.062	3	119.3959	7.848	23	119.4770	7.713	25	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(OC[6])(O)	N[6](C[6]C[6]CH)2(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(OC[6])(O)	117.0030	0.000	1	117.0030	0.000	1	119.3959	7.848	23	119.4770	7.713	25	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)2(COO)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)2(COO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	123.0090	0.000	1	123.0090	0.000	1	119.3959	7.848	23	119.4770	7.713	25	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)2(COO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)2(COO){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|H<1>,1|S<4>,2|C<4>}	C(N[6]C[6]2)(OC)(O)	120.2055	3.334	2	120.2055	11.116	2	119.3959	7.848	23	119.4770	7.713	25	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	115.3460	0.779	2	115.3460	0.607	2	119.3959	7.848	23	119.4770	7.713	25	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO){3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(N[6]C[6]2)(OC)(O)	116.7270	0.000	1	116.7270	0.000	1	119.3959	7.848	23	119.4770	7.713	25	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:P-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HP)(COO)	C[6](C[6]C[6]CH)(N[6]C[6]C)(PO3)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HP)(COO){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(PO3)(H){1|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	118.1120	0.000	1	118.1120	0.000	1	118.1120	0.000	1	119.4770	7.713	25	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[3x6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CC[6a]O)	C[6](C[3x6]C[6,6]2O[6])(N[6]C[6]C)(CCHH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CC[6a]O){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(C[6a]C[6a]2)(N[6]C[6]2)(O)	117.2320	0.000	1	117.2320	0.000	1	117.2320	0.000	1	120.7877	5.219	14	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]O)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(CCHH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(CCHH)(H){2|C<3>,2|C<4>,7|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	119.9050	0.000	1	119.9050	0.000	1	119.9050	0.000	1	120.7877	5.219	14	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]2)(N[6]C[6]2)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]O){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[6]C[6]2)(N[6]C[6]2)(O)	120.3840	0.000	1	120.3840	0.000	1	121.1895	1.298	2	120.7877	5.219	14	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)2(CC[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]2)(N[6]C[6]2)(O)	N[6](C[6]C[6]CH)2(CC[6]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(N[6]C[6]2)(O)	121.9950	0.000	1	121.9950	0.000	1	121.1895	1.298	2	120.7877	5.219	14	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CHHO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CHHO)(H){2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	124.5640	0.000	1	124.5640	0.000	1	122.5720	5.728	3	120.7877	5.219	14	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O)	C[6](C[6]C[6,6a]FH)(N[6]C[6]C)(CCHH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O){1|F<1>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]FH)(N[6]C[6]C)(CCHH)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	119.9170	0.000	1	119.9170	0.000	1	122.5720	5.728	3	120.7877	5.219	14	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)	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)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|C<3>,2|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]2)(N[6]C[6]2)(O)	123.2350	0.000	1	123.2350	0.000	1	122.5720	5.728	3	120.7877	5.219	14	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(NCC)(O)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(NCC)(O)	117.0860	0.000	1	117.0860	0.000	1	117.0860	0.000	1	120.7877	5.219	14	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:N-3:S-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(NCH)(S)	121.8340	0.089	2	121.8340	0.008	2	121.1183	3.489	6	120.7877	5.219	14	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:N-3:S-1:	N[6](C[6]C[6]CH)2(CNS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]CH)2(CNS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	C(N[6]C[6]2)(NCH)(S)	120.7605	2.302	4	120.7605	5.300	4	121.1183	3.489	6	120.7877	5.219	14	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:N-3:N-2:	N[6](C[6]C[6]CH)2(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N[6](C[6]C[6]CH)2(CNN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	117.3575	0.354	2	117.3575	0.126	2	117.3575	0.126	2	117.3575	0.126	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(CC[6a]CH)(O)	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCO){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<3>,6|H<1>}	C(N[6]C[6]2)(CC[6a]CH)(O)	124.1950	0.000	1	124.1950	0.000	1	124.1950	0.000	1	120.0159	5.552	8	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CCO)	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(CHHO)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CCO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(CHHO)(H){1|H<1>,3|C<3>}	C(N[6]C[6]2)(CH3)(O)	122.6440	0.000	1	122.6440	0.000	1	119.4189	3.150	7	120.0159	5.552	8	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(CH3)(O)	117.5070	0.000	1	117.5070	0.000	1	119.4189	3.150	7	120.0159	5.552	8	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHHN)(H)	C(N[6]C[6]2)(CC[6a]HH)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHHN)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(CC[6a]HH)(O)	118.9205	0.494	2	118.9205	0.244	2	119.4189	3.150	7	120.0159	5.552	8	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[5]HH)(H)	C(N[6]C[6]2)(CC[6a]HH)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[5]HH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(CC[6a]HH)(O)	120.7690	0.000	1	120.7690	0.000	1	119.4189	3.150	7	120.0159	5.552	8	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[6]HH)(H)	C(N[6]C[6]2)(CC[6a]HH)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[6]HH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(CC[6a]HH)(O)	119.2530	0.000	1	119.2530	0.000	1	119.4189	3.150	7	120.0159	5.552	8	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CCHH)(H)	C(N[6]C[6]2)(CF3)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	C(N[6]C[6]2)(CF3)(O)	117.9180	0.000	1	117.9180	0.000	1	119.4189	3.150	7	120.0159	5.552	8	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[3]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]O)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	C(C[3]C[6a]C[3]2)(N[6]C[6]2)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]O){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	C(C[3]C[6a]C[3]2)(N[6]C[6]2)(O)	125.9190	0.000	1	125.9190	0.000	1	122.6065	21.945	2	122.6065	21.945	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[3]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]O)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[3]C[3]O[3]C)(N[6]C[6]2)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]O){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[3]C[3]O[3]C)(N[6]C[6]2)(O)	119.2940	0.000	1	119.2940	0.000	1	122.6065	21.945	2	122.6065	21.945	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:4:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CC)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C(N[6]C[6]2)(OB)(O)	N[6](C[6]C[6]CC)2(COO){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)(OB)(O)	117.0615	2.852	2	117.0615	8.133	2	117.0615	8.133	2	117.0615	8.133	2	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-3:H-1:	N[6](C[6]C[6]CC)2(CCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C(N[6]C[6]2)(CBC)(H)	N[6](C[6]C[6]CC)2(CCH){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)(CBC)(H)	119.9357	5.305	4	119.9357	28.146	4	119.9357	28.146	4	119.9357	28.146	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:4:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-4:H-1:	N[6](C[6]C[6]CC)2(CCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C(N[6]C[6]2)(CBCH)(H)	N[6](C[6]C[6]CC)2(CCH){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)(CBCH)(H)	120.7285	2.546	2	120.7285	6.484	2	120.7678	7.009	4	120.7678	7.009	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:4:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:C-4:H-1:	N[6](C[6]C[6]CC)2(CCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C(N[6]C[6]2)(CC[5]CH)(H)	N[6](C[6]C[6]CC)2(CCH){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[5]CH)(H)	120.8070	3.813	2	120.8070	14.537	2	120.7678	7.009	4	120.7678	7.009	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:4:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[5]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(COO)	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(COO){1|O<2>,2|C<4>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]HH)(N[6]C[6]C)(H){2|C<4>,3|O<2>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	122.4840	4.938	2	122.4840	24.388	2	122.4840	24.388	2	121.9460	8.809	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:4:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]2H)(C[6]C[6]HO)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(COO){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HO)(N[6]C[6]C)(H){1|C<3>,3|C<4>,7|H<1>}	C(N[6]C[6]2)(OC)(O)	120.7440	0.000	1	120.7440	0.000	1	121.4080	0.882	2	121.9460	8.809	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP2_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:4:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]2H)(C[6]C[6]HO)(COO)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]2H)(C[6]C[6]HO)(COO){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C(N[6]C[6]2)(OC)(O)	122.0720	0.000	1	122.0720	0.000	1	121.4080	0.882	2	121.9460	8.809	4	121.7860	10.038	2162	121.7604	9.987	2253
856	466	930	0:SP3_SP2_SP3	N[6,6]	C[3x6]	C	4:2:3:	3:3:3:4:	3:2:1:	C[3x6]-4:O[6,6]-2:C-3:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:C-4:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6])(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]O[6,6]C)(CH3)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6])(COO){1|C<4>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]O[6,6]C)(CH3){1|C<4>,2|H<1>,4|C<3>}	C(N[6,6]C[3x6]O[6,6])(OC)(O)	120.6290	0.000	1	120.6290	0.000	1	120.6290	0.000	1	120.6290	0.000	1	117.5425	14.945	8	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6,6]	C[3x6]	C	4:2:3:	3:4:3:1:	3:2:1:	C[3x6]-4:O[6,6]-2:C-3:	C[5,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[5,3x6])(COO)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(N[6,6]O[6,6]C)(H)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[5,3x6])(COO){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(N[6,6]O[6,6]C)(H){1|O<1>,1|O<2>,4|C<4>}	C(N[6,6]C[3x6]O[6,6])(OC)(O)	117.2990	1.123	2	117.2990	1.261	2	117.2990	1.261	2	117.2990	1.261	2	117.5425	14.945	8	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6,6]	C[3x6]	C	4:2:3:	4:3:3:1:	3:2:1:	C[3x6]-4:O[6,6]-2:C-3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO){1|C<3>,1|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H){1|C<4>,3|H<1>}	C(N[6,6]C[3x6]O[6,6])(OC)(O)	116.6980	0.000	1	116.6980	0.000	1	116.6980	0.000	1	116.6980	0.000	1	117.5425	14.945	8	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6,6]	C[3x6]	C	4:2:3:	4:3:3:1:	3:3:1:	C[3x6]-4:O[6,6]-2:C-3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:N-3:O-1:	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CNO)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H)	C(N[6,6]C[3x6]O[6,6])(NCH)(O)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CNO){1|C<3>,1|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H){1|C<4>,3|H<1>}	C(N[6,6]C[3x6]O[6,6])(NCH)(O)	113.9130	0.048	2	113.9130	0.002	2	114.3487	0.571	3	114.3487	0.571	3	117.5425	14.945	8	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6,6]	C[3x6]	C	4:2:3:	4:3:3:1:	3:3:1:	C[3x6]-4:O[6,6]-2:C-3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:N-3:O-1:	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CNO)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H)	C(N[6,6]C[3x6]O[6,6])(NC[6a]H)(O)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CNO){1|C<3>,1|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H){1|C<4>,3|H<1>}	C(N[6,6]C[3x6]O[6,6])(NC[6a]H)(O)	115.2200	0.000	1	115.2200	0.000	1	114.3487	0.571	3	114.3487	0.571	3	117.5425	14.945	8	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6,6]	C[3x6]	C	4:2:3:	4:4:3:4:	3:2:1:	C[3x6]-4:O[6,6]-2:C-3:	C[3,6,6]-4:C[6,6]-4:N[6,6]-3:C-4:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[3,6,6]C[6,6]C)(O[6,6]C[3x6])(COO)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]HO)(N[6,6]O[6,6]C)(CHHO)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[3,6,6]C[6,6]C)(O[6,6]C[3x6])(COO){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]HO)(N[6,6]O[6,6]C)(CHHO){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C(N[6,6]C[3x6]O[6,6])(OC)(O)	125.3690	0.000	1	125.3690	0.000	1	125.3690	0.000	1	125.3690	0.000	1	117.5425	14.945	8	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6,6]	C[6,6]	C	4:4:3:	3:3:3:1:	3:2:1:	C[6,6]-4:C[6,6]-4:C-3:	N[6,6]-3:N[6]-3:C[6]-3:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(COO)	C[6,6](N[6,6]C[6,6]C)(N[6]C[6,6a]C)(C[6]C[6]C)(H)	C(N[6,6]C[6,6]2)(OC)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(COO){2|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6]C)(N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[6,6]C[6,6]2)(OC)(O)	124.1675	0.415	2	124.1675	0.172	2	124.1675	0.172	2	124.1675	0.172	2	120.6352	8.182	8	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6,6]	C[6,6]	C	4:4:3:	3:3:4:1:	3:2:1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]O[6]HS)(H)	C(N[6,6]C[6,6]2)(OC)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO){1|O<2>,1|S<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]O[6]HS)(H){2|C<3>,2|C<4>,2|H<1>}	C(N[6,6]C[6,6]2)(OC)(O)	123.2170	0.000	1	123.2170	0.000	1	119.7283	9.367	3	119.7283	9.367	3	120.6352	8.182	8	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6,6]	C[6,6]	C	4:4:3:	3:3:4:1:	3:2:1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(COO)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C(N[6,6]C[6,6]2)(OC)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(COO){2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C(N[6,6]C[6,6]2)(OC)(O)	117.9840	0.692	2	117.9840	0.478	2	119.7283	9.367	3	119.7283	9.367	3	120.6352	8.182	8	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6,6]	C[6,6]	C	4:4:3:	3:4:3:4:	3:2:1:	C[6,6]-4:C[6,6]-4:C-3:	N[6,6]-3:C[6]-4:C[6]-3:C-4:	N[6,6]-3:O-2:O-1:	N[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(COO)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(N[6,6]C[6,6]2)(OC)(O)	N[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(COO){1|Mo<7>,1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|Mo<7>,1|O<1>,2|C<4>,2|H<1>}	C(N[6,6]C[6,6]2)(OC)(O)	120.8440	0.000	1	120.8440	0.000	1	120.8440	0.000	1	120.8440	0.000	1	120.6352	8.182	8	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6,6]	C[6,6]	C	4:4:3:	3:4:4:1:	3:2:1:	C[6,6]-4:C[6,6]-4:C-3:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(COO)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]MoH)(C[6]C[6]HH)(H)	C(N[6,6]C[6,6]2)(OC)(O)	N[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(COO){1|Mo<7>,1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]MoH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(N[6,6]C[6,6]2)(OC)(O)	118.8800	0.000	1	118.8800	0.000	1	118.8800	0.000	1	118.8800	0.000	1	120.6352	8.182	8	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6,6]	C[6,6]	C	4:4:3:	4:3:4:1:	3:2:1:	C[6,6]-4:C[6,6]-4:C-3:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]O[6]HH)(H)	C(N[6,6]C[6,6]2)(OC)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO){1|O<2>,1|S<2>,2|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C(N[6,6]C[6,6]2)(OC)(O)	117.8380	0.000	1	117.8380	0.000	1	117.8380	0.000	1	117.8380	0.000	1	120.6352	8.182	8	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6,6]	C	4:4:3:	4:4:3:1:	3:2:1:	C[6,6]-4:C[6]-4:C-3:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(COO)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(COO){4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(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])(OC)(O)	122.8210	0.000	1	122.8210	0.000	1	122.8210	0.000	1	120.4500	11.243	2	120.4500	11.243	2	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6,6]	C	4:4:3:	4:4:3:1:	3:2:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO)	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])(OC)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO){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|Cl<1>,1|C<3>,2|C<4>,6|H<1>}	C(N[6]C[6,6]C[6])(OC)(O)	118.0790	0.000	1	118.0790	0.000	1	118.0790	0.000	1	120.4500	11.243	2	120.4500	11.243	2	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:1:1:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)	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])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO){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])(OC)(O)	117.3460	0.000	1	117.3460	0.000	1	117.3460	0.000	1	117.3460	0.000	1	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:1:1:	3:3:2:	C[5,6]-3:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:N-2:	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CC[6a]N)	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])(C[6a]C[6a]2)(NC)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CC[6a]N){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2{1|H<1>,4|C<3>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(NC)	120.6050	0.000	1	120.6050	0.000	1	120.6050	0.000	1	120.6050	0.000	1	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:1:1:	3:4:1:	N[6]-3:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]C)(N[6]N[6]C)(H)2	C(N[6]C[6]N[6])(CCHH)(O)	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CCO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]N[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(N[6]C[6]N[6])(CCHH)(O)	114.9875	0.152	2	114.9875	0.023	2	114.9875	0.023	2	114.9875	0.023	2	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:3:4:1:	3:2:1:	C[6,6]-3:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(CCHH)(H)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(COO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6]C[6])(OC)(O)	117.6240	0.000	1	117.6240	0.000	1	117.6240	0.000	1	117.6240	0.000	1	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:1:1:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	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])(OC)(O)	115.3840	0.556	2	115.3840	0.309	2	115.3840	0.309	2	115.3840	0.309	2	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]O)	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)(O)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	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])(C[6a]C[6a]2)(O)	120.9190	0.000	1	120.9190	0.000	1	120.9190	0.000	1	120.9190	0.000	1	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	3:4:3:	4:3:3:3:	3:4:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:C-3:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]CC)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]CC)(CCO){3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)2{1|N<2>,2|C<3>}	C(N[6]C[6]2)(CH3)(O)	118.8160	0.000	1	118.8160	0.000	1	118.8160	0.000	1	118.8160	0.000	1	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:2:3:	3:3:4:1:	3:2:1:	C[6]-4:O[6]-2:C-3:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(O[6]C[6])(COO)	C[6](C[6]C[6]H)(N[6]O[6]C)(CCHH)(H)	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[6]CH)(O[6]C[6])(COO){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]O[6]C)(CCHH)(H){1|Br<1>,1|C<4>}	C(N[6]C[6]O[6])(OC)(O)	117.2420	0.000	1	117.2420	0.000	1	117.2420	0.000	1	117.2420	0.000	1	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:2:3:	3:4:3:1:	3:2:1:	C[6]-4:O[6]-2:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)(O[6]C[6])(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]O[6]C)(H)	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[6a]C[6]H)(O[6]C[6])(COO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]O[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C(N[6]C[6]O[6])(OC)(O)	120.6020	0.000	1	120.6020	0.000	1	120.6020	0.000	1	120.6020	0.000	1	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:2:3:	4:3:1:1:	3:2:1:	C[6]-4:O[6]-2:C-3:	C[3,6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[3,6]HH)(O[6]C[6,6])(COO)	C[6](C[3,6]C[3,6,6]O[3]H)(N[6]O[6]C)(H)2	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[3,6]HH)(O[6]C[6,6])(COO){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(N[6]O[6]C)(H)2{2|C<4>}	C(N[6]C[6]O[6])(OC)(O)	122.3840	0.000	1	122.3840	0.000	1	122.3840	0.000	1	123.6740	1.146	4	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:2:3:	4:3:1:1:	3:2:1:	C[6]-4:O[6]-2:C-3:	C[4,6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[4,6]HH)(O[6]C[6])(COO)	C[6](C[4,6]C[4,6]C[4]H)(N[6]O[6]C)(H)2	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[4,6]HH)(O[6]C[6])(COO){2|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(N[6]O[6]C)(H)2{1|H<1>,4|C<4>}	C(N[6]C[6]O[6])(OC)(O)	123.8670	0.000	1	123.8670	0.000	1	123.8670	0.000	1	123.6740	1.146	4	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:2:3:	4:3:1:1:	3:2:1:	C[6]-4:O[6]-2:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6]HH)(O[6]C[6])(COO)	C[6](C[6,6]C[6,6]C[6]O)(N[6]O[6]C)(H)2	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[6,6]HH)(O[6]C[6])(COO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(N[6]O[6]C)(H)2{2|C<4>,2|H<1>,2|O<2>}	C(N[6]C[6]O[6])(OC)(O)	124.9760	0.000	1	124.9760	0.000	1	124.9760	0.000	1	123.6740	1.146	4	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:2:3:	4:3:1:1:	3:2:1:	C[6]-4:O[6]-2:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)(O[6]C[6,6])(COO)	C[6](C[6]C[6,6]HO)(N[6]O[6]C)(H)2	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[6]HH)(O[6]C[6,6])(COO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(N[6]O[6]C)(H)2{1|O<2>,2|C<4>}	C(N[6]C[6]O[6])(OC)(O)	123.4690	0.000	1	123.4690	0.000	1	123.4690	0.000	1	123.6740	1.146	4	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:2:3:	4:3:2:1:	3:2:1:	C[6]-4:O[6]-2:C-3:	C[6]-4:N[6]-3:O[6]-2:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]O[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6]2H)(N[6]O[6]C)(O[6]C[6])(H)	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[6]O[6]H)(O[6]C[6])(COO){2|H<1>,4|C<4>}	C[6](C[6]C[6]2H)(N[6]O[6]C)(O[6]C[6])(H){3|C<4>,6|H<1>}	C(N[6]C[6]O[6])(OC)(O)	119.3580	0.000	1	119.3580	0.000	1	119.3580	0.000	1	119.3580	0.000	1	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:4:3:1:	3:2:1:	C[6]-4:N[6]-3:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO)	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])(OC)(O)	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C(N[6]C[6]N[6])(OC)(O)	115.3170	0.000	1	116.7437	1.608	3	116.7437	1.608	3	116.7437	1.608	3	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:3:3:	3:4:3:1:	3:2:1:	C[6]-4:N[6]-3:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO)	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])(OC)(O)	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C(N[6]C[6]N[6])(OC)(O)	117.4570	0.403	2	116.7437	1.608	3	116.7437	1.608	3	116.7437	1.608	3	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(COO){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>,1|H<1>,1|O<1>}	C(N[6]C[6]2)(OC)(O)	114.7060	0.000	1	114.7060	0.000	1	116.7670	8.495	2	116.7670	8.495	2	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:3:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)(C[6]N[6]N)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]N[6]N)(COO){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)(OC)(O)	118.8280	0.000	1	118.8280	0.000	1	116.7670	8.495	2	116.7670	8.495	2	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	N[6]-3:N[6]-2:C-4:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]N[6]CH)(CC[6a]O)	C[6](N[6]C[6]C)(N[6]C[6])(CC3)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6]CH)(C[6]N[6]CH)(CC[6a]O){1|C<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6])(CC3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	116.9170	0.000	1	116.9170	0.000	1	116.9170	0.000	1	116.9170	0.000	1	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){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<2>,1|N<3>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	116.7140	0.000	1	116.7140	0.000	1	116.7140	0.000	1	116.7140	0.000	1	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){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|C<3>,1|H<1>,2|C<4>}	C(N[6]C[6]2)(CCHH)(O)	116.9210	0.000	1	116.9210	0.000	1	117.3380	0.348	2	117.3380	0.348	2	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]HH)(O)	N[6](C[6]C[6]HH)2(CCO){2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C(N[6]C[6]2)(CC[6a]HH)(O)	117.7550	0.000	1	117.7550	0.000	1	117.3380	0.348	2	117.3380	0.348	2	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H)	C(N[6]C[6]2)(CCHH)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){1|H<1>,3|C<3>}	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(N[6]C[6]2)(CCHH)(O)	117.4130	0.000	1	117.4130	0.000	1	117.4130	0.000	1	117.4130	0.000	1	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:3:4:3:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:C-4:C-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO){1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	114.9955	0.210	2	114.9955	0.044	2	114.9955	0.044	2	114.9955	0.044	2	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:1:1:	3:2:1:	C[5,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:O-2:O-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(N[6]C[5,6]C[6])(OC)(O)	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(N[6]C[5,6]C[6])(OC)(O)	119.4360	0.000	1	119.4360	0.000	1	119.4360	0.000	1	119.4360	0.000	1	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C-4:O-1:	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(N[6]C[5,6]C[6])(CCl2H)(O)	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(N[6]C[5,6]C[6])(CCl2H)(O)	121.5380	0.000	1	121.5380	0.000	1	121.5380	0.000	1	121.5380	0.000	1	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:2:1:	C[6,6]-4:C[6]-4:C-3:	N[6]-3:C[6]-4:C-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(COO)(H)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO){3|C<4>,5|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(COO)(H){2|C<4>,3|H<1>}	C(N[6]C[6,6]C[6])(OC)(O)	114.6610	0.000	1	114.6610	0.000	1	114.6610	0.000	1	117.7975	19.675	2	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){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|C<4>,3|C<3>,5|H<1>}	C(N[6]C[6]2)(OC)(O)	120.9340	0.000	1	120.9340	0.000	1	120.9340	0.000	1	117.7975	19.675	2	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6a]C[6]H)2(CCC)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6a]C[6]H)2(CCC){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)(CCH)(COO)	115.2365	2.180	2	115.2365	4.752	2	115.2365	4.752	2	115.2365	4.752	2	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CHHN)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO){2|C<3>,2|H<1>,3|C<4>}	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)(CHHN)(O)	115.7630	0.000	1	115.7630	0.000	1	118.0154	11.581	5	118.0154	11.581	5	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CClHH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(N[6]C[6]2)(CClHH)(O)	118.4000	4.015	2	118.4000	16.120	2	118.0154	11.581	5	118.0154	11.581	5	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CHHN)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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)(CHHN)(O)	115.3120	0.000	1	115.3120	0.000	1	118.0154	11.581	5	118.0154	11.581	5	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)2(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CHHN)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){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)(CHHN)(O)	122.2020	0.000	1	122.2020	0.000	1	118.0154	11.581	5	118.0154	11.581	5	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	3:4:3:4:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:C-4:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(CH3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(COO){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)(CH3){1|C<4>,2|C<3>,6|H<1>}	C(N[6]C[6]2)(OC)(O)	122.9190	0.000	1	122.9190	0.000	1	122.9190	0.000	1	122.9190	0.000	1	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[5,5,6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-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(N[6]C[5,5,6]C[6])(OC)(O)	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(N[6]C[5,5,6]C[6])(OC)(O)	113.8510	0.000	1	113.8510	0.000	1	113.8510	0.000	1	119.4864	10.663	29	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(COO)	C[6](C[6,6]C[3,6]C[6,6]H)(N[6]C[6,6]C)(H)2	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(COO){4|C<4>,4|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(N[6]C[6,6]C)(H)2{3|H<1>,5|C<4>}	C(N[6]C[6,6]C[6])(OC)(O)	119.3460	0.000	1	119.3460	0.000	1	119.3460	0.000	1	119.4864	10.663	29	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]HH)(COO)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]HH)(COO){1|C<3>,2|C<4>,2|O<2>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	122.6700	0.000	1	122.6700	0.000	1	122.6700	0.000	1	119.4864	10.663	29	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]HH)(COO)	C[6](C[5,6]C[5,5,6,6]O[5]C)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]HH)(COO){1|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,5,6,6]O[5]C)(N[6]C[6]C)(H)2{3|C<4>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	117.3450	0.000	1	117.3450	0.000	1	117.3450	0.000	1	119.4864	10.663	29	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO){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|N<3>,2|C<4>,5|H<1>}	C(N[6]C[6]2)(OC)(O)	119.3370	0.000	1	119.3370	0.000	1	121.3055	7.750	2	119.4864	10.663	29	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6]C)(H)2{1|C<4>,3|C<3>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	123.2740	0.000	1	123.2740	0.000	1	121.3055	7.750	2	119.4864	10.663	29	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-2:S-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NN)(S)	N[6](C[6]C[6]HH)2(CNS){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)(NN)(S)	121.5260	0.058	2	121.5260	0.003	2	121.3665	1.107	4	119.4864	10.663	29	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-2:S-1:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NN)(S)	N[6](C[6]C[6]HH)2(CNS){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)(NN)(S)	121.2070	1.793	2	121.2070	3.216	2	121.3665	1.107	4	119.4864	10.663	29	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){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>,3|C<3>}	C(N[6]C[6]2)(OC)(O)	122.4685	0.743	2	122.4685	0.552	2	119.1483	12.115	19	119.4864	10.663	29	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){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(N[6]C[6]2)(OC)(O)	120.7270	0.000	1	120.7270	0.000	1	119.1483	12.115	19	119.4864	10.663	29	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	123.4530	0.000	1	123.4530	0.000	1	119.1483	12.115	19	119.4864	10.663	29	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO){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>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	118.4520	0.000	1	118.4520	0.000	1	119.1483	12.115	19	119.4864	10.663	29	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(COO){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)(OC)(O)	115.2840	1.167	2	115.2840	1.361	2	119.1483	12.115	19	119.4864	10.663	29	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	121.1100	0.000	1	121.1100	0.000	1	119.1483	12.115	19	119.4864	10.663	29	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){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|N<3>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	119.9440	2.825	4	119.9440	7.982	4	119.1483	12.115	19	119.4864	10.663	29	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){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>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	118.0105	1.214	2	118.0105	1.474	2	119.1483	12.115	19	119.4864	10.663	29	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	121.7650	0.000	1	121.7650	0.000	1	119.1483	12.115	19	119.4864	10.663	29	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)2(COO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){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)(O)	120.7345	3.881	2	120.7345	15.065	2	119.1483	12.115	19	119.4864	10.663	29	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(COO){1|C<4>,2|C<3>,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(N[6]C[6]2)(OC)(O)	112.8620	0.000	1	112.8620	0.000	1	119.1483	12.115	19	119.4864	10.663	29	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	112.6770	0.000	1	112.6770	0.000	1	119.1483	12.115	19	119.4864	10.663	29	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:N-2:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SNi)(NN)	N[6](C[6]C[6]HH)2(CNS){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)(SNi)(NN)	119.5315	2.180	2	119.5315	4.752	2	120.4505	3.524	4	120.4505	3.524	4	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S-2:N-2:	N[6](C[6]C[6]HH)2(CNS)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(SFe)(NN)	N[6](C[6]C[6]HH)2(CNS){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)(SFe)(NN)	121.3695	1.562	2	121.3695	2.440	2	120.4505	3.524	4	120.4505	3.524	4	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[5a]O)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[5a]C[5a,6a]C[5a])(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CC[5a]O){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[5a]C[5a,6a]C[5a])(N[6]C[6]2)(O)	120.1980	3.588	2	120.1980	12.873	2	120.9057	14.649	4	120.1749	10.861	14	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[5a]O)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(CC[5a]O){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[5a]C[5a]O[5a])(N[6]C[6]2)(O)	121.6135	5.392	2	121.6135	29.070	2	120.9057	14.649	4	120.1749	10.861	14	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CC[6a]O)	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)(O)	N[6](C[6]C[6]HH)2(CC[6a]O){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)(O)	121.0780	4.122	2	121.0780	16.994	2	121.0780	16.994	2	120.1749	10.861	14	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NCC)(O)	N[6](C[6]C[6]HH)2(CNO){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)(NCC)(O)	119.8615	3.169	2	119.8615	10.040	2	121.0255	12.206	4	120.1749	10.861	14	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6]HH)2(CNO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NCH)(O)	N[6](C[6]C[6]HH)2(CNO){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)(NCH)(O)	122.1895	4.600	2	122.1895	21.158	2	121.0255	12.206	4	120.1749	10.861	14	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)2(CN[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)2(O)	N[6](C[6]C[6]HH)2(CN[6]O){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)2(O)	118.1418	2.610	4	118.1418	6.812	4	118.1418	6.812	4	120.1749	10.861	14	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)2(CC[5a]N)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)2(CC[5a]N){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]C[5a]2)(N[6]C[6]2)(NC[6a])	120.7395	1.492	46	120.7766	2.292	50	120.7766	2.292	50	119.5865	5.622	103	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)2(CC[5a]N)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)2(CC[5a]N){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[5a]C[5a]2)(N[6]C[6]2)(NC[6a])	121.2027	1.952	4	120.7766	2.292	50	120.7766	2.292	50	119.5865	5.622	103	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)2(CC[6a]N)	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)(NC[6a])	N[6](C[6]C[6]HH)2(CC[6a]N){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)(NC[6a])	117.7635	0.745	2	119.6848	4.738	20	119.1324	5.666	24	119.5865	5.622	103	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)2(CC[6a]N)	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)(NC[6a])	N[6](C[6]C[6]HH)2(CC[6a]N){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)(NC[6a])	119.7780	1.401	6	119.6848	4.738	20	119.1324	5.666	24	119.5865	5.622	103	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)2(CC[6a]N)	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)(NC[6a])	N[6](C[6]C[6]HH)2(CC[6a]N){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)(NC[6a])	119.9991	3.018	8	119.6848	4.738	20	119.1324	5.666	24	119.5865	5.622	103	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)2(CC[6a]N)	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)(NC[6a])	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|N<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	119.7635	1.357	2	119.6848	4.738	20	119.1324	5.666	24	119.5865	5.622	103	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)2(CC[6a]N)	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)(NC[6a])	N[6](C[6]C[6]HH)2(CC[6a]N){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)(NC[6a])	119.9905	2.374	2	119.6848	4.738	20	119.1324	5.666	24	119.5865	5.622	103	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)2(CC[6a]N)	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)(NO)	N[6](C[6]C[6]HH)2(CC[6a]N){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)(NO)	116.3702	1.109	4	116.3702	1.230	4	119.1324	5.666	24	119.5865	5.622	103	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[5a]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)2(CN[5a]N)	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)(NC[6a])	N[6](C[6]C[6]HH)2(CN[5a]N){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)(NC[6a])	119.8505	2.853	2	119.8505	8.141	2	119.8505	8.141	2	119.5865	5.622	103	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:N-2:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCO)(NN)	N[6](C[6]C[6]HH)2(CCN){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)(CCO)(NN)	113.7135	0.120	2	113.7135	0.014	2	115.5807	3.300	6	119.5865	5.622	103	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:N-2:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CHN)(NO)	N[6](C[6]C[6]HH)2(CCN){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)(CHN)(NO)	116.5143	1.417	4	116.5143	2.008	4	115.5807	3.300	6	119.5865	5.622	103	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-2:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6]H)(NC[6])	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN){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)(NC[6]H)(NC[6])	121.5650	0.000	1	121.5650	0.000	1	118.7750	5.469	15	119.5865	5.622	103	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-2:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	N[6](C[6]C[6]HH)2(CNN){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)(NC[6a]C)(NC[6a])	120.5710	2.196	2	120.5710	4.824	2	118.7750	5.469	15	119.5865	5.622	103	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-2:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N[6](C[6]C[6]HH)2(CNN){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)(NC[6a]H)(NC[6a])	116.2585	0.889	2	116.8050	1.575	4	118.7750	5.469	15	119.5865	5.622	103	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-2:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N[6](C[6]C[6]HH)2(CNN){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)(NC[6a]H)(NC[6a])	117.3515	1.655	2	116.8050	1.575	4	118.7750	5.469	15	119.5865	5.622	103	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-2:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NHH)(NO)	N[6](C[6]C[6]HH)2(CNN){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)(NHH)(NO)	116.9895	0.590	2	116.9895	0.349	2	118.7750	5.469	15	119.5865	5.622	103	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-2:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	N[6](C[6]C[6]HH)2(CNN){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)(NC[6a]C)(NC[6a])	120.1010	2.624	4	120.1010	6.883	4	118.7750	5.469	15	119.5865	5.622	103	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-2:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NHH)(NH)	N[6](C[6]C[6]HH)2(CNN){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)(NHH)(NH)	118.6575	1.682	2	118.6575	2.830	2	118.7750	5.469	15	119.5865	5.622	103	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)2(CN[6]N)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)2(NC)	N[6](C[6]C[6]HH)2(CN[6]N){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)2(NC)	116.6635	0.056	2	116.6635	0.003	2	117.4327	3.936	6	119.5865	5.622	103	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)2(CN[6]N)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)2(NC[5])	N[6](C[6]C[6]HH)2(CN[6]N){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)2(NC[5])	117.8173	2.443	4	117.8173	5.968	4	117.4327	3.936	6	119.5865	5.622	103	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C-3:	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]C)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	C(C[6a]C[5,6a]C[6a])(N[6]C[6]2)(CHH)	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]C){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(N[6]C[6]2)(CHH)	112.0450	0.000	1	112.0450	0.000	1	112.0450	0.000	1	119.1806	11.717	8	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6]HH)2(CCC)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCH)(CCO)	N[6](C[6]C[6]HH)2(CCC){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)(CCO)	119.0975	0.508	2	119.0975	0.258	2	119.0975	0.258	2	119.1806	11.717	8	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-3:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NC[6]H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN){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)(NC[6]H)2	122.1300	0.000	1	122.1300	0.000	1	120.6410	5.041	5	119.1806	11.717	8	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-3:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NHH)2	N[6](C[6]C[6]HH)2(CNN){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)(NHH)2	118.9515	0.429	2	118.9515	0.184	2	120.6410	5.041	5	119.1806	11.717	8	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:N-3:	N[6](C[6]C[6]HH)2(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NPtH)(NCH)	N[6](C[6]C[6]HH)2(CNN){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)(NPtH)(NCH)	121.5860	3.205	2	121.5860	10.270	2	120.6410	5.041	5	119.1806	11.717	8	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-3:C-4:	N[6](C[6]C[6]HH)2(CCC)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CC[6a]H)(CF3)	N[6](C[6]C[6]HH)2(CCC){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]H)(CF3)	116.9255	2.838	2	116.9255	8.052	2	116.9255	8.052	2	120.1688	5.563	8	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:C-4:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NZnH)(CH3)	N[6](C[6]C[6]HH)2(CCN){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)(NZnH)(CH3)	121.7375	0.484	2	121.7375	0.235	2	121.2498	0.568	6	120.1688	5.563	8	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:C-4:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NReH)(CH3)	N[6](C[6]C[6]HH)2(CCN){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)(NReH)(CH3)	121.2540	0.878	2	121.2540	0.771	2	121.2498	0.568	6	120.1688	5.563	8	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N-3:C-4:	N[6](C[6]C[6]HH)2(CCN)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(NReH)(CH3)	N[6](C[6]C[6]HH)2(CCN){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)(NReH)(CH3)	120.7580	0.935	2	120.7580	0.874	2	121.2498	0.568	6	120.1688	5.563	8	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CCHH)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	C(N[6]C[6]2)(CCHH)(O)	120.5700	0.000	1	120.5700	0.000	1	120.6807	0.773	3	120.6807	0.773	3	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){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)(O)	121.6100	0.000	1	121.6100	0.000	1	120.6807	0.773	3	120.6807	0.773	3	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)2(CCO)	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)(O)	N[6](C[6]C[6]HH)2(CCO){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{3|C<3>,3|H<1>}	C(N[6]C[6]2)(CC[6a]HH)(O)	119.8620	0.000	1	119.8620	0.000	1	120.6807	0.773	3	120.6807	0.773	3	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]N[6]CH)(CC[6a]O)	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)(O)	N[6](C[6]C[6]CH)(C[6]N[6]CH)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	120.0710	0.000	1	120.0710	0.000	1	120.0710	0.000	1	120.0710	0.000	1	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:N-3:N-2:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	C(N[6]C[6]2)(NC[6]H)(NC[6])	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(NC[6]H)(NC[6])	120.3960	0.000	1	120.3960	0.000	1	120.3960	0.000	1	120.3960	0.000	1	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6,6]C[6a]H)2(CCC)	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)(CCH)(COO)	N[6](C[6]C[6,6]C[6a]H)2(CCC){2|C<4>,2|H<1>,5|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|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C(N[6]C[6]2)(CCH)(COO)	115.1430	1.635	2	115.1430	2.673	2	115.1430	2.673	2	115.6137	2.741	6	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6a]-3:N[6]-3:C-3:	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]C)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(N[6]C[6]C)(COO)(H)	C(C[6a]C[5,6a]C[6a])(N[6]C[6]2)(CHH)	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]C){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(N[6]C[6]C)(COO)(H){2|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(N[6]C[6]2)(CHH)	114.1450	0.000	1	114.1450	0.000	1	114.1450	0.000	1	115.6137	2.741	6	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6a]C[6]H)2(CCC)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6a]C[6]H)2(CCC){2|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C(N[6]C[6]2)(CCH)(COO)	115.5865	1.535	2	115.5865	2.357	2	115.5865	2.357	2	115.6137	2.741	6	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:N-3:N-3:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	C(N[6]C[6]2)(NC[6]H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(NC[6]H)2	118.0780	0.000	1	118.0780	0.000	1	118.0780	0.000	1	115.6137	2.741	6	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(CH3)(O)	115.2730	0.000	1	115.2730	0.000	1	117.1607	4.891	3	117.1607	4.891	3	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(CNO)(H)	C(N[6]C[6]2)(CCHH)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(CNO)(H){1|C<4>,2|H<1>,3|C<3>}	C(N[6]C[6]2)(CCHH)(O)	119.5940	0.000	1	119.5940	0.000	1	117.1607	4.891	3	117.1607	4.891	3	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO)	C[6](C[6]C[6]CC)(N[6]C[6]C)(CNO)(H)	C(N[6]C[6]2)(CHHN)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2)(CHHN)(O)	116.6150	0.000	1	116.6150	0.000	1	117.1607	4.891	3	117.1607	4.891	3	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:2:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:C-2:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN){1|C<4>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	120.0840	1.373	2	120.0840	1.886	2	120.0840	1.886	2	120.0840	1.886	2	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:3:2:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:C-2:	N[6]-3:N-3:O-1:	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN)	C(N[6]C[6]2)(NCC)(O)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN){2|C<4>,3|H<1>}	C(N[6]C[6]2)(NCC)(O)	111.7400	0.000	1	111.7400	0.000	1	111.7400	0.000	1	111.7400	0.000	1	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:N-2:N-2:	N[6](C[6]C[6]CH)2(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(NC[6a])2	N[6](C[6]C[6]CH)2(CNN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	C(N[6]C[6]2)(NC[6a])2	117.3543	1.044	4	117.3543	1.091	4	117.3543	1.091	4	117.3543	1.091	4	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)2(CC[6a]O)	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)(O)	N[6](C[6]C[6]CH)2(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	121.8410	0.000	1	121.8410	0.000	1	121.2170	0.779	2	119.8853	5.709	3	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)2(CC[6a]O)	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)(O)	N[6](C[6]C[6]CH)2(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	120.5930	0.000	1	120.5930	0.000	1	121.2170	0.779	2	119.8853	5.709	3	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(NCC)(O)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(NCC)(O)	117.2220	0.000	1	117.2220	0.000	1	117.2220	0.000	1	119.8853	5.709	3	119.1952	7.809	232	119.1985	8.107	250
856	466	930	0:SP3_SP2_SP3	N[6]	C[6]	C	4:4:3:	4:3:4:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:N-3:N-2:	N[6](C[6]C[6]CH)2(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N[6](C[6]C[6]CH)2(CNN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	117.8075	1.228	2	117.8075	1.509	2	117.8075	1.509	2	117.8075	1.509	2	119.1952	7.809	232	119.1985	8.107	250