856	466	510	0:SP2_SP2_SP3	N[6]	C[6]	B	4:4:2:	4:3:4:4:	3:2:	C[6]-4:C[6]-4:B-2:	C[6]-4:N[6]-3:C-4:C-4:	N[6]-3:N-2:	N[6](C[6]C[6]CC)2(BN)	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	B(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]CC)2(BN){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])	119.3543	0.595	4	119.3543	0.354	4	119.3543	0.354	4	119.3543	0.354	4	119.3543	0.354	4	119.3543	0.354	4
856	466	542	0:SP3_SP2_SP3	N[6]	C[6]	N[5]	4:4:3:	3:4:1:1:	3:3:3:	C[6]-4:C[6]-4:N[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(N[5]C[5]2)	C[6](N[6]C[6]N[5])(C[6]N[6]HH)(H)2	N[5](C[5]C[5,6a]O)2(N[6]C[6]2)	N[6](C[6]C[6]HH)2(N[5]C[5]2){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6](N[6]C[6]N[5])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]O)2(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	111.9080	0.000	1	111.9080	0.000	1	111.9080	0.000	1	111.9080	0.000	1	111.9080	0.000	1	111.9080	0.000	1
856	466	542	6:SP2_SP3_SP3	N[6]	C[6]	N[5,6]	3:4:3:	3:3:4:1:	4:3:3:	N[5,6]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:N[6]-3:	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)	N[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]O)(N[6]C[6]C)	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>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	116.8750	0.000	1	116.8750	0.000	1	116.8750	0.000	1	116.8750	0.000	1	116.8750	0.000	1	116.8750	0.000	1
856	466	542	6:SP3_SP2_SP3	N[6]	C[6]	N[5,6]	3:4:1:	3:3:4:1:	4:3:3:	N[5,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:N[6]-3:	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	C[6](N[6]N[5,6]H)(C[6]C[6]H)(CH3)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]N)(N[6]C[6]H)	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](N[6]N[5,6]H)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]N)(N[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1
856	466	542	6:SP3_SP3_SP3	N[6]	C[6]	N[5,6]	3:4:4:	3:3:1:1:	4:3:3:	N[5,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:N[6]-3:	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)	C[6](N[6]N[5,6]C)(C[6]C[6]H)(H)2	N[5,6](C[5,6]C[5]C[6]2)(C[5]N[5]N)(N[6]C[6]C)	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]N[5,6]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5,6](C[5,6]C[5]C[6]2)(C[5]N[5]N)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	111.3070	0.000	1	111.3070	0.000	1	111.3070	0.000	1	111.3070	0.000	1	111.3070	0.000	1	111.3070	0.000	1
856	466	602	6:SP2_SP3_SPD6	N[3x6]	C[6,6]	Ga[6x6]	6:4:3:	3:4:1:1:	3:3:3:2:2:2:	Ga[6x6]-6:C[6,6]-4:C[6]-3:	N[3x6]-3:C[3x6]-4:H-1:H-1:	N[3x6]-3:N[3x6]-3:N[3x6]-3:O[6]-2:O[6]-2:O[6]-2:	N[3x6](Ga[6x6]N[3x6]2O[6]3)(C[6,6]C[3x6]HH)(C[6]C[6,6a]H)	C[6,6](N[3x6]Ga[6x6]C[6])(C[3x6]C[6,6]2C)(H)2	Ga[6x6](N[3x6]C[6,6]C[6])3(O[6]C[6,6a])3	N[3x6](Ga[6x6]N[3x6]2O[6]3)(C[6,6]C[3x6]HH)(C[6]C[6,6a]H){3|C<4>,6|C<3>}	C[6,6](N[3x6]Ga[6x6]C[6])(C[3x6]C[6,6]2C)(H)2{1|C<3>,2|N<3>,3|O<2>,5|H<1>}	Ga[6x6](N[3x6]C[6,6]C[6])3(O[6]C[6,6a])3{1|C<4>,6|C<3>,9|H<1>}	118.1393	1.205	3	118.1393	1.452	3	118.1393	1.452	3	118.1393	1.452	3	118.1393	1.452	3	118.1393	1.452	3
856	466	610	0:SP2_SP3_SP3	N[6,6]	C[3x6]	B	3:4:4:	3:3:3:1:	3:3:3:3:	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:	N[6,6]-3:C[6a]-3:C[6a]-3:C[6a]-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)	B(N[6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)3	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>}	B(N[6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)3	125.4680	0.000	1	125.4680	0.000	1	125.4680	0.000	1	125.4680	0.000	1	125.4680	0.000	1	125.4680	0.000	1
856	466	618	0:SP2_SP2_SP3	N[6]	C[6]	B[6,6]	3:3:4:	3:4:1:1:	3:4:4:	C[6,6]-3:B[6,6]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-4:C[6,6]-4:	N[6](C[6,6]N[6,6]N[6])(B[6,6]C[6,6]2)(C[6]C[6]HH)	C[6](N[6]B[6,6]C[6,6])(C[6]C[6]HH)(H)2	B[6,6](N[6]C[6,6]C[6])(C[6,6]C[6]2H)2	N[6](C[6,6]N[6,6]N[6])(B[6,6]C[6,6]2)(C[6]C[6]HH){4|H<1>,8|C<4>}	C[6](N[6]B[6,6]C[6,6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|N<3>}	B[6,6](N[6]C[6,6]C[6])(C[6,6]C[6]2H)2{10|H<1>,2|N<3>,3|C<4>}	124.9530	0.000	1	124.9530	0.000	1	124.9530	0.000	1	124.9530	0.000	1	124.9530	0.000	1	121.7780	7.622	3
856	466	618	0:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:2:	3:4:4:1:	3:3:3:	B[6]-3:C[6]-4:C[6]-2:	N[6]-3:C[6]-4:C[6]-4:H-1:	N[6]-3:C[6a]-3:N[6]-3:	N[6](B[6]C[6a]N[6])(C[6]C[6]2H)(C[6]N[6])	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H)	B[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]2)	N[6](B[6]C[6a]N[6])(C[6]C[6]2H)(C[6]N[6]){1|B<3>,3|C<3>,3|C<4>,4|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	B[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]2){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	120.1905	0.351	2	120.1905	0.124	2	120.1905	0.124	2	120.1905	0.124	2	120.1905	0.124	2	121.7780	7.622	3
856	466	618	6:SP2_SP2_SP3	N[6,6]	C[6]	B[6,6]	3:4:4:	3:4:1:1:	3:3:3:	B[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](B[6,6]N[6]2)(C[6]C[6]HH)2	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)(N[6]C[6]P)2	N[6,6](B[6,6]N[6]2)(C[6]C[6]HH)2{2|C<4>,2|P<3>,4|H<1>}	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	B[6,6](N[6,6]C[6]2)(N[6]C[6]P)2{2|C<4>,8|H<1>}	122.9710	0.707	3	124.1601	1.581	15	124.1601	1.581	15	124.1601	1.581	15	124.1601	1.581	15	119.9281	15.456	42
856	466	618	6:SP2_SP2_SP3	N[6,6]	C[6]	B[6,6]	3:4:4:	3:4:1:1:	3:3:3:	B[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](B[6,6]N[6]2)(C[6]C[6]HH)2	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)(N[6]C[6]P)2	N[6,6](B[6,6]N[6]2)(C[6]C[6]HH)2{2|C<4>,2|P<4>,4|H<1>}	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	B[6,6](N[6,6]C[6]2)(N[6]C[6]P)2{2|C<4>,8|H<1>}	124.4574	1.200	12	124.1601	1.581	15	124.1601	1.581	15	124.1601	1.581	15	124.1601	1.581	15	119.9281	15.456	42
856	466	618	6:SP2_SP2_SP3	N[6]	C[6]	B[6,6]	3:4:3:	3:4:1:1:	3:3:3:	B[6,6]-3:C[6]-4:P-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PCC)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	B[6,6](N[6,6]C[6]2)(N[6]C[6]P)2	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PCC){1|P<3>,2|H<1>,3|C<4>}	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	B[6,6](N[6,6]C[6]2)(N[6]C[6]P)2{2|C<4>,8|H<1>}	117.5430	0.895	2	117.5430	0.801	2	116.9180	1.573	3	116.9180	1.573	3	115.9231	2.654	15	119.9281	15.456	42
856	466	618	6:SP2_SP2_SP3	N[6]	C[6]	B[6,6]	3:4:3:	3:4:1:1:	3:3:3:	B[6,6]-3:C[6]-4:P-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PC[6a]2)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	B[6,6](N[6,6]C[6]2)(N[6]C[6]P)2	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PC[6a]2){1|P<3>,2|H<1>,3|C<4>}	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	B[6,6](N[6,6]C[6]2)(N[6]C[6]P)2{2|C<4>,8|H<1>}	115.6680	0.000	1	115.6680	0.000	1	116.9180	1.573	3	116.9180	1.573	3	115.9231	2.654	15	119.9281	15.456	42
856	466	618	6:SP2_SP2_SP3	N[6]	C[6]	B[6,6]	3:4:4:	3:4:1:1:	3:3:3:	B[6,6]-3:C[6]-4:P-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PC[6a]2Cu)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	B[6,6](N[6,6]C[6]2)(N[6]C[6]P)2	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PC[6a]2Cu){1|P<4>,2|H<1>,3|C<4>}	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	B[6,6](N[6,6]C[6]2)(N[6]C[6]P)2{2|C<4>,8|H<1>}	116.8363	0.849	3	116.8363	0.722	3	115.6744	2.755	12	115.6744	2.755	12	115.9231	2.654	15	119.9281	15.456	42
856	466	618	6:SP2_SP2_SP3	N[6]	C[6]	B[6,6]	3:4:4:	3:4:1:1:	3:3:3:	B[6,6]-3:C[6]-4:P-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](B[6,6]N[6,6]N[6])(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]2)(N[6]C[6]P)2	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PC[6a]2Mo){1|P<4>,2|H<1>,3|C<4>}	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	B[6,6](N[6,6]C[6]2)(N[6]C[6]P)2{2|C<4>,8|H<1>}	115.2895	2.251	4	115.2895	5.065	4	115.6744	2.755	12	115.6744	2.755	12	115.9231	2.654	15	119.9281	15.456	42
856	466	618	6:SP2_SP2_SP3	N[6]	C[6]	B[6,6]	3:4:4:	3:4:1:1:	3:3:3:	B[6,6]-3:C[6]-4:P-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](B[6,6]N[6,6]N[6])(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]2)(N[6]C[6]P)2	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PC[6a]2Pd){1|P<4>,2|H<1>,3|C<4>}	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	B[6,6](N[6,6]C[6]2)(N[6]C[6]P)2{2|C<4>,8|H<1>}	115.2880	2.536	2	115.2880	6.430	2	115.6744	2.755	12	115.6744	2.755	12	115.9231	2.654	15	119.9281	15.456	42
856	466	618	6:SP2_SP2_SP3	N[6]	C[6]	B[6,6]	3:4:4:	3:4:1:1:	3:3:3:	B[6,6]-3:C[6]-4:P-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PNiCC)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	B[6,6](N[6,6]C[6]2)(N[6]C[6]P)2	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PNiCC){1|P<4>,2|H<1>,3|C<4>}	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	B[6,6](N[6,6]C[6]2)(N[6]C[6]P)2{2|C<4>,8|H<1>}	114.8530	0.000	1	114.8530	0.000	1	115.6744	2.755	12	115.6744	2.755	12	115.9231	2.654	15	119.9281	15.456	42
856	466	618	6:SP2_SP2_SP3	N[6]	C[6]	B[6,6]	3:4:4:	3:4:1:1:	3:3:3:	B[6,6]-3:C[6]-4:P-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PPdCC)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	B[6,6](N[6,6]C[6]2)(N[6]C[6]P)2	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PPdCC){1|P<4>,2|H<1>,3|C<4>}	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	B[6,6](N[6,6]C[6]2)(N[6]C[6]P)2{2|C<4>,8|H<1>}	115.4985	1.247	2	115.4985	1.554	2	115.6744	2.755	12	115.6744	2.755	12	115.9231	2.654	15	119.9281	15.456	42
856	466	618	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:3:	3:4:1:1:	3:3:2:	C[6a]-3:C[6]-4:B[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-3:N[6]-3:O-2:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]O)	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	B[6](C[6]B[5a]N[6])(N[6]C[6a]C[6])(OC[6a])	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]O){1|B<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|O<2>,4|C<3>}	B[6](C[6]B[5a]N[6])(N[6]C[6a]C[6])(OC[6a]){1|C<4>,2|H<1>,3|C<3>,3|O<2>}	120.8410	0.000	1	120.8410	0.000	1	120.8410	0.000	1	120.8410	0.000	1	119.6444	5.835	12	119.9281	15.456	42
856	466	618	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:3:	3:4:1:1:	3:4:2:	C[6a]-3:C[6]-4:B[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:O-2:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]O)	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(OB)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(OB){1|C<4>,2|H<1>,3|C<3>}	121.6820	0.000	1	121.6820	0.000	1	121.6820	0.000	1	121.2745	0.332	2	119.6444	5.835	12	119.9281	15.456	42
856	466	618	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:3:	3:4:1:1:	3:4:2:	C[6a]-3:C[6]-4:B[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:S-2:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]S)	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(SB)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]S){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|C<4>,1|S<2>,3|C<3>}	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(SB){1|C<4>,2|H<1>,3|C<3>}	120.8670	0.000	1	120.8670	0.000	1	120.8670	0.000	1	121.2745	0.332	2	119.6444	5.835	12	119.9281	15.456	42
856	466	618	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:3:	3:4:1:1:	3:4:3:	C[6a]-3:C[6]-4:B[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:N-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]N)	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NBN)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]N){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NBN){1|C<4>,2|H<1>,3|C<3>}	121.5190	0.000	1	121.5190	0.000	1	121.7475	0.104	2	121.7475	0.104	2	119.6444	5.835	12	119.9281	15.456	42
856	466	618	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:3:	3:4:1:1:	3:4:3:	C[6a]-3:C[6]-4:B[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:N-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]N)	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NC[6a]B)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]N){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NC[6a]B){1|C<4>,2|H<1>,3|C<3>}	121.9760	0.000	1	121.9760	0.000	1	121.7475	0.104	2	121.7475	0.104	2	119.6444	5.835	12	119.9281	15.456	42
856	466	618	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:3:	3:4:4:1:	3:3:1:	C[6a]-3:C[6]-4:B[6]-3:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(B[6]N[6]H)	C[6](N[6]C[6a]B[6])(C[6]C[6]CC)(CH3)(H)	B[6](N[6]C[6a]C[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(B[6]N[6]H){3|C<3>,5|C<4>}	C[6](N[6]C[6a]B[6])(C[6]C[6]CC)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	B[6](N[6]C[6a]C[6])2(H){2|H<1>,3|C<4>,4|C<3>}	120.8670	0.156	2	120.8670	0.024	2	120.8670	0.024	2	120.8670	0.024	2	119.6444	5.835	12	119.9281	15.456	42
856	466	618	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:B[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]N[6]HH)(B[6]N[6]H)(CCCH)	C[6](N[6]B[6]C)(N[6]C[6]C)(H)2	B[6](N[6]C[6]C)2(H)	N[6](C[6]N[6]HH)(B[6]N[6]H)(CCCH){1|C<3>,2|C<4>}	C[6](N[6]B[6]C)(N[6]C[6]C)(H)2{1|H<1>,2|N<3>}	B[6](N[6]C[6]C)2(H){2|H<1>,2|N<3>}	114.0690	0.000	1	114.0690	0.000	1	114.0690	0.000	1	114.0690	0.000	1	119.6444	5.835	12	119.9281	15.456	42
856	466	618	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:4:	3:3:1:1:	4:3:3:	C[6]-4:B[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:N-3:	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3)	C[6](C[6]C[6]H)(N[6]B[6]C)(H)2	B[6](C[6]C[6]HH)(N[6]C[6]C)(NC[6a]2)	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]B[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>}	B[6](C[6]C[6]HH)(N[6]C[6]C)(NC[6a]2){1|C<3>,3|H<1>}	119.2395	0.513	2	119.2395	0.263	2	119.2395	0.263	2	119.2395	0.263	2	119.6444	5.835	12	119.9281	15.456	42
856	466	618	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:B[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3)	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2	B[6](C[6]C[6]H)(N[6]C[6]C)(NC[6a]2)	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>}	B[6](C[6]C[6]H)(N[6]C[6]C)(NC[6a]2){1|C<4>,3|H<1>}	116.2080	0.000	1	116.2080	0.000	1	116.2080	0.000	1	116.2080	0.000	1	119.6444	5.835	12	119.9281	15.456	42
856	466	618	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:4:	4:3:1:1:	4:3:3:	C[6]-4:B[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:N-3:	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3)	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2	B[6](C[6]C[6]HH)(N[6]C[6]C)(NC[6a]2)	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	B[6](C[6]C[6]HH)(N[6]C[6]C)(NC[6a]2){1|C<4>,4|H<1>}	118.3580	0.000	1	118.3580	0.000	1	118.3580	0.000	1	118.3580	0.000	1	119.6444	5.835	12	119.9281	15.456	42
856	466	622	0:SP3_SP2_SP3	N[6]	C[6]	O[6]	3:4:2:	3:4:3:1:	3:3:	C[6,6a]-3:C[6]-4:O[6]-2:	N[6]-3:C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O[6]C[6])	C[6](N[6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	O[6](N[6]C[6,6a]C[6])(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O[6]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	O[6](N[6]C[6,6a]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	106.5375	1.241	2	106.5375	1.540	2	106.5375	1.540	2	106.5375	1.540	2	106.5375	1.540	2	106.5375	1.540	2
856	466	622	6:SP2_SP3_SP3	N[6,6]	C[3x6]	O[6,6]	3:4:2:	3:4:3:1:	3:4:	C[6a]-3:C[3x6]-4:O[6,6]-2:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	N[6,6]-3:C[3x6]-4:	N[6,6](C[6a]C[6a]N[6a])(C[3x6]C[6,6]2H)(O[6,6]C[3x6])	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)	N[6,6](C[6a]C[6a]N[6a])(C[3x6]C[6,6]2H)(O[6,6]C[3x6]){2|C<4>,3|C<3>,4|H<1>}	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	110.5690	0.000	1	110.5690	0.000	1	110.5690	0.000	1	110.5690	0.000	1	109.8451	4.555	10	109.7474	6.773	23
856	466	622	6:SP2_SP3_SP3	N[6,6]	C[3x6]	O[6,6]	4:2:3:	3:4:4:1:	3:4:	C[3x6]-4:O[6,6]-2:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:C[3x6]-4:	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(C[6a]C[6a]2)	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(H)	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(C[6a]C[6a]2){3|C<3>,3|C<4>,5|H<1>}	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	107.8130	1.905	4	107.8130	3.630	4	107.8130	3.630	4	107.8130	3.630	4	109.8451	4.555	10	109.7474	6.773	23
856	466	622	6:SP2_SP3_SP3	N[6,6]	C[3x6]	O[6,6]	4:2:3:	4:3:3:1:	4:3:	C[3x6]-4:O[6,6]-2:C-3:	C[3,6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:	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)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	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>}	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	111.0600	0.000	1	111.0600	0.000	1	111.0600	0.000	1	111.4550	0.588	4	109.8451	4.555	10	109.7474	6.773	23
856	466	622	6:SP2_SP3_SP3	N[6,6]	C[3x6]	O[6,6]	4:2:3:	4:3:3:1:	4:3:	C[3x6]-4:O[6,6]-2:C-3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:	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)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	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>}	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,4|H<1>}	112.1980	0.000	1	112.1980	0.000	1	111.5867	0.777	3	111.4550	0.588	4	109.8451	4.555	10	109.7474	6.773	23
856	466	622	6:SP2_SP3_SP3	N[6,6]	C[3x6]	O[6,6]	4:2:3:	4:3:3:1:	4:3:	C[3x6]-4:O[6,6]-2:C-3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:	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)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	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>}	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	110.5760	0.000	1	110.5760	0.000	1	111.5867	0.777	3	111.4550	0.588	4	109.8451	4.555	10	109.7474	6.773	23
856	466	622	6:SP2_SP3_SP3	N[6,6]	C[3x6]	O[6,6]	4:2:3:	4:3:3:1:	4:3:	C[3x6]-4:O[6,6]-2:C-3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:	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)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	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>}	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	111.9860	0.000	1	111.9860	0.000	1	111.5867	0.777	3	111.4550	0.588	4	109.8451	4.555	10	109.7474	6.773	23
856	466	622	6:SP2_SP3_SP3	N[6,6]	C[3x6]	O[6,6]	4:2:3:	4:3:3:4:	4:3:	C[3x6]-4:O[6,6]-2:C-3:	C[3,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:N[6,6]-3:	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)	O[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)	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>}	O[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	110.8100	0.000	1	110.8100	0.000	1	110.8100	0.000	1	110.8100	0.000	1	109.8451	4.555	10	109.7474	6.773	23
856	466	622	6:SP2_SP3_SP3	N[6]	C[6,6]	O[6]	4:3:2:	3:3:4:1:	4:3:	C[6,6]-4:C[6a]-3:O[6]-2:	C[6,6]-3:N[6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(C[6]O[6]HH)(H)	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]C[6a])	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6]){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(C[6]O[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]C[6a]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	107.7290	0.000	1	107.7290	0.000	1	107.7290	0.000	1	107.7290	0.000	1	107.7290	0.000	1	109.7474	6.773	23
856	466	622	6:SP2_SP3_SP3	N[6]	C[6]	O[6]	3:4:2:	3:3:3:1:	3:4:	C[6a]-3:C[6]-4:O[6]-2:	N[6]-3:C[6]-3:N-3:H-1:	N[6]-3:C[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(NCH)(H)	O[6](N[6]C[6a]C[6])(C[6]C[6]CH)	N[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(NCH)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	109.0900	0.000	1	109.0900	0.000	1	109.0900	0.000	1	109.0900	0.000	1	109.8342	9.431	12	109.7474	6.773	23
856	466	622	6:SP2_SP3_SP3	N[6]	C[6]	O[6]	3:4:2:	3:3:4:1:	3:4:	C[6a]-3:C[6]-4:O[6]-2:	N[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(CC3)(H)	O[6](N[6]C[6a]C[6])(C[6]C[6]CC)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(CC3)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	111.1770	0.000	1	111.1770	0.000	1	111.1770	0.000	1	111.1770	0.000	1	109.8342	9.431	12	109.7474	6.773	23
856	466	622	6:SP2_SP3_SP3	N[6]	C[6]	O[6]	3:4:2:	3:4:1:1:	3:4:	C[6a]-3:C[6]-4:O[6]-2:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6]C[6]HO)(H)2	O[6](N[6]C[6a]C[6])(C[6]C[6]HP)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){1|O<2>,1|P<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]O[6])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6]HP){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	105.6820	0.000	1	105.6820	0.000	1	105.6820	0.000	1	105.6820	0.000	1	109.8342	9.431	12	109.7474	6.773	23
856	466	622	6:SP2_SP3_SP3	N[6]	C[6]	O[6]	4:2:3:	3:3:1:1:	4:3:	C[6]-4:O[6]-2:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:	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	O[6](C[6]C[6]HH)(N[6]C[6]C)	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>}	O[6](C[6]C[6]HH)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	112.5700	0.000	1	112.5700	0.000	1	112.5700	0.000	1	112.8055	0.111	2	109.8342	9.431	12	109.7474	6.773	23
856	466	622	6:SP2_SP3_SP3	N[6]	C[6]	O[6]	4:2:3:	3:3:1:1:	4:3:	C[6]-4:O[6]-2:C-3:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:	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	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)	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>}	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C){1|N<3>,2|C<3>,4|H<1>}	113.0410	0.000	1	113.0410	0.000	1	113.0410	0.000	1	112.8055	0.111	2	109.8342	9.431	12	109.7474	6.773	23
856	466	622	6:SP2_SP3_SP3	N[6]	C[6]	O[6]	4:2:3:	3:3:2:1:	4:3:	C[6]-4:O[6]-2:C-3:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-4:N[6]-3:	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)	O[6](C[6]C[6]CC)(N[6]C[6]C)	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>}	O[6](C[6]C[6]CC)(N[6]C[6]C){1|C<3>,1|O<2>,2|H<1>}	115.3790	0.000	1	115.3790	0.000	1	115.3790	0.000	1	115.3790	0.000	1	109.8342	9.431	12	109.7474	6.773	23
856	466	622	6:SP2_SP3_SP3	N[6]	C[6]	O[6]	4:2:3:	3:3:4:1:	4:3:	C[6]-4:O[6]-2:C-3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:	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)	O[6](C[6]C[6]CH)(N[6]C[6]C)	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>}	O[6](C[6]C[6]CH)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	111.1790	0.000	1	111.1790	0.000	1	111.1790	0.000	1	111.1790	0.000	1	109.8342	9.431	12	109.7474	6.773	23
856	466	622	6:SP2_SP3_SP3	N[6]	C[6]	O[6]	4:3:2:	3:3:1:1:	3:4:	C[6]-4:C[6a]-3:O[6]-2:	C[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2	O[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O[6](N[6]C[6a]C[6])(C[6]C[6,6]HH){1|O<2>,3|C<3>,3|H<1>}	105.9300	0.000	1	105.9300	0.000	1	105.9300	0.000	1	105.9300	0.000	1	109.8342	9.431	12	109.7474	6.773	23
856	466	622	6:SP2_SP3_SP3	N[6]	C[6]	O[6]	4:3:2:	3:3:3:1:	3:4:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	O[6](N[6]C[6a]C[6])(C[6]C[6]CO)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|O<2>,3|H<1>,6|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CO){2|H<1>,4|C<3>}	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	109.8342	9.431	12	109.7474	6.773	23
856	466	622	6:SP2_SP3_SP3	N[6]	C[6]	O[6]	4:3:2:	3:3:3:1:	4:3:	C[6]-4:C[6a]-3:O[6]-2:	C[5a,6]-3:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(CCH)(H)	O[6](C[6]C[5a,6]CC)(N[6]C[6a]C[6])	N[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(CCH)(H){1|C<4>,1|N<3>,4|C<3>}	O[6](C[6]C[5a,6]CC)(N[6]C[6a]C[6]){1|H<1>,1|N<3>,4|C<3>}	105.8030	0.000	1	105.8030	0.000	1	105.8030	0.000	1	105.8030	0.000	1	109.8342	9.431	12	109.7474	6.773	23
856	466	622	6:SP2_SP3_SP3	N[6]	C[6]	O[6]	4:3:2:	3:3:4:1:	4:3:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|C<4>,4|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|C<4>,3|H<1>,5|C<3>}	110.1990	0.000	1	110.1990	0.000	1	109.8940	0.186	2	109.8940	0.186	2	109.8342	9.431	12	109.7474	6.773	23
856	466	622	6:SP2_SP3_SP3	N[6]	C[6]	O[6]	4:3:2:	3:3:4:1:	4:3:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,4|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|C<4>,3|H<1>,5|C<3>}	109.5890	0.000	1	109.5890	0.000	1	109.8940	0.186	2	109.8940	0.186	2	109.8342	9.431	12	109.7474	6.773	23
856	466	622	6:SP3_SP2_SP3	N[6]	C[6]	O[6]	4:4:2:	4:3:1:1:	3:3:	C[6]-4:C-4:O[6]-2:	C[6,6]-4:N[6]-3:H-1:H-1:	B[6]-3:N[6]-3:	N[6](C[6]C[6,6]HH)(CC[6a]2H)(O[6]B[6])	C[6](C[6,6]C[6]2O[6])(N[6]O[6]C)(H)2	O[6](B[6]C[6a]O[6])(N[6]C[6]C)	N[6](C[6]C[6,6]HH)(CC[6a]2H)(O[6]B[6]){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6]2O[6])(N[6]O[6]C)(H)2{1|B<3>,2|C<4>,4|H<1>}	O[6](B[6]C[6a]O[6])(N[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	107.7740	0.000	1	107.7740	0.000	1	107.7740	0.000	1	107.7740	0.000	1	107.7740	0.000	1	107.7740	0.000	1
856	466	622	6:SP3_SP3_SP3	N[4x6]	C[4x6]	O[6,6]	4:4:2:	3:3:4:4:	4:3:	C[4x6]-4:C[4x6]-4:O[6,6]-2:	N[4x6]-3:N[4x6]-3:C[6,6]-4:C-4:	B[3x6]-4:N[4x6]-3:	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3)	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2)	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6]){1|C<3>,1|C<4>,1|N<3>,2|O<2>,5|H<1>}	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<4>,4|C<4>}	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2){1|N<3>,1|N<4>,2|C<3>,4|C<4>}	107.9795	0.220	2	107.3156	0.141	14	107.3703	0.149	20	107.3703	0.149	20	107.4576	0.217	22	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[4x6]	C[4x6]	O[6,6]	4:4:2:	3:3:4:4:	4:3:	C[4x6]-4:C[4x6]-4:O[6,6]-2:	N[4x6]-3:N[4x6]-3:C[6,6]-4:C-4:	B[3x6]-4:N[4x6]-3:	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3)	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2)	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6]){1|C<3>,1|C<4>,1|N<4>,2|O<2>,4|H<1>}	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,5|C<4>}	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2){2|C<3>,2|N<3>,4|C<4>}	107.2050	0.263	12	107.3156	0.141	14	107.3703	0.149	20	107.3703	0.149	20	107.4576	0.217	22	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[4x6]	C[4x6]	O[6,6]	4:4:2:	3:3:4:4:	4:3:	C[4x6]-4:C[4x6]-4:O[6,6]-2:	N[4x6]-3:N[4x6]-3:C[6,6]-4:C-4:	B[3x6]-4:N[4x6]-3:	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3)	O[6,6](B[3x6]O[6,6]2O)(N[4x6]C[4x6]2)	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6]){1|C<4>,1|N<3>,3|O<2>,4|H<1>}	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,4|C<4>}	O[6,6](B[3x6]O[6,6]2O)(N[4x6]C[4x6]2){2|N<3>,4|C<4>}	107.4977	0.415	6	107.4977	0.172	6	107.3703	0.149	20	107.3703	0.149	20	107.4576	0.217	22	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[4x6]	C[4x6]	O[6,6]	4:4:2:	4:3:4:4:	4:3:	C[4x6]-4:C[4x6]-4:O[6,6]-2:	N[4x6]-4:N[4x6]-3:C[6,6]-4:C-4:	B[3x6]-4:N[4x6]-3:	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])	C[4x6](N[4x6]C[4x6]O[6,6]H)(N[4x6]C[4x6]O[6,6])(C[6,6]N[3x6]HH)(CH3)	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2)	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6]){1|C<3>,1|C<4>,1|N<3>,2|O<2>,5|H<1>}	C[4x6](N[4x6]C[4x6]O[6,6]H)(N[4x6]C[4x6]O[6,6])(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,4|C<4>}	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2){1|N<3>,1|N<4>,2|C<3>,4|C<4>}	108.3310	0.204	2	108.3310	0.041	2	108.3310	0.041	2	108.3310	0.041	2	107.4576	0.217	22	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6,6]	C[3x6]	O[6,6]	3:4:2:	3:3:4:1:	3:4:	C[6a]-3:C[3x6]-4:O[6,6]-2:	C[6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	N[6,6]-3:C[3x6]-4:	N[6,6](C[6a]C[6a]N[6a])(C[3x6]C[6,6]2H)(O[6,6]C[3x6])	C[3x6](C[6,6]C[6,6]C[6a])(N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)	N[6,6](C[6a]C[6a]N[6a])(C[3x6]C[6,6]2H)(O[6,6]C[3x6]){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]C[6a])(N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	110.6955	0.167	4	110.6955	0.028	4	110.6955	0.028	4	110.6955	0.028	4	109.6958	3.636	20	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6,6]	C[3x6]	O[6,6]	4:2:3:	3:3:3:4:	4:3:	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:	C[3x6]-4:N[6,6]-3:	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)	O[6,6](C[3x6]C[6,6,6a]2C)(N[6,6]C[3x6]C)	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>}	O[6,6](C[3x6]C[6,6,6a]2C)(N[6,6]C[3x6]C){1|C<4>,4|C<3>}	112.5730	0.000	1	112.5730	0.000	1	112.5730	0.000	1	112.5730	0.000	1	109.6958	3.636	20	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6,6]	C[3x6]	O[6,6]	4:2:3:	3:4:3:1:	4:3:	C[3x6]-4:O[6,6]-2:C-3:	C[5,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[5,3x6]-4:N[6,6]-3:	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)	O[6,6](C[5,3x6]C[5,6,6]2C[5])(N[6,6]C[3x6]C)	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>}	O[6,6](C[5,3x6]C[5,6,6]2C[5])(N[6,6]C[3x6]C){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	109.8090	0.348	2	109.8090	0.121	2	109.8090	0.121	2	109.8090	0.121	2	109.6958	3.636	20	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6,6]	C[3x6]	O[6,6]	4:2:3:	3:4:4:1:	3:4:	C[3x6]-4:O[6,6]-2:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:C[3x6]-4:	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(C[6a]C[6a]2)	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(H)	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(C[6a]C[6a]2){3|C<3>,3|C<4>,5|H<1>}	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	107.0690	0.435	4	107.0690	0.190	4	107.0690	0.190	4	107.0690	0.190	4	109.6958	3.636	20	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6,6]	C[3x6]	O[6,6]	4:2:3:	4:3:3:1:	4:3:	C[3x6]-4:O[6,6]-2:C-3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:	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)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	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>}	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,4|H<1>}	110.2087	0.899	3	110.2087	0.808	3	110.7088	1.539	4	110.7088	1.539	4	109.6958	3.636	20	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6,6]	C[3x6]	O[6,6]	4:2:3:	4:3:3:1:	4:3:	C[3x6]-4:O[6,6]-2:C-3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:	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)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	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>}	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,4|H<1>}	112.2090	0.000	1	112.2090	0.000	1	110.7088	1.539	4	110.7088	1.539	4	109.6958	3.636	20	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6,6]	C[3x6]	O[6,6]	4:2:3:	4:4:3:4:	4:3:	C[3x6]-4:O[6,6]-2:C-3:	C[3,6,6]-4:C[6,6]-4:N[6,6]-3:C-4:	C[3x6]-4:N[6,6]-3:	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)	O[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)	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>}	O[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	112.2540	0.000	1	112.2540	0.000	1	112.2540	0.000	1	112.2540	0.000	1	109.6958	3.636	20	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6,6]	C[3x6]	O[6,6]	5:4:2:	3:4:3:1:	3:4:	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:	N[6,6]-3:C[3x6]-4:	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)	O[6,6](N[6,6]C[3x3,4,3x5,14x6]C[3x6])(C[3x6]C[6,6]2H)	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>}	O[6,6](N[6,6]C[3x3,4,3x5,14x6]C[3x6])(C[3x6]C[6,6]2H){1|C<3>,1|C<4>,4|B<6>,4|H<1>}	111.7100	0.000	1	111.7100	0.000	1	111.7100	0.000	1	111.7100	0.000	1	109.6958	3.636	20	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6,6]	C[3x6]	O[6,6]	5:4:2:	3:4:3:4:	3:4:	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:	N[6,6]-3:C[3x6]-4:	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)	O[6,6](N[6,6]C[3x3,4,3x5,14x6]C[3x6])(C[3x6]C[6,6]2C)	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>}	O[6,6](N[6,6]C[3x3,4,3x5,14x6]C[3x6])(C[3x6]C[6,6]2C){1|C<3>,2|C<4>,3|H<1>,4|B<6>}	107.9557	0.075	3	107.9557	0.006	3	107.9557	0.006	3	107.9557	0.006	3	109.6958	3.636	20	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6,6]	C[6,6]	O[6]	4:2:2:	4:3:4:1:	3:4:	C[6,6]-4:O[6]-2:O[6]-2:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:	N[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(O[6]C[6])	C[6,6](C[6]C[6,6]C[6a]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H)	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)	N[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(O[6]C[6]){3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H){2|C<3>,3|C<4>,3|H<1>}	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H){2|C<3>,3|C<4>,3|H<1>}	106.2210	0.000	1	106.2210	0.000	1	108.7942	7.373	11	108.7942	7.373	11	109.1377	11.833	14	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6,6]	C[6,6]	O[6]	4:2:2:	4:3:4:1:	3:4:	C[6,6]-4:O[6]-2:O[6]-2:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H)	O[6](N[6,6]C[6,6]O[6])(C[6]C[6]CC)	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2{2|H<1>,4|C<3>,4|C<4>}	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	O[6](N[6,6]C[6,6]O[6])(C[6]C[6]CC){3|C<4>,3|H<1>}	109.3360	0.000	1	109.3360	0.000	1	108.7942	7.373	11	108.7942	7.373	11	109.1377	11.833	14	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6,6]	C[6,6]	O[6]	4:2:2:	4:3:4:1:	3:4:	C[6,6]-4:O[6]-2:O[6]-2:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H)	O[6](N[6,6]C[6,6]O[6])(C[6]C[6]CH)	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2{3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	O[6](N[6,6]C[6,6]O[6])(C[6]C[6]CH){3|C<4>,3|H<1>}	106.0620	0.000	1	106.0620	0.000	1	108.7942	7.373	11	108.7942	7.373	11	109.1377	11.833	14	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6,6]	C[6,6]	O[6]	4:2:2:	4:3:4:1:	3:4:	C[6,6]-4:O[6]-2:O[6]-2:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H)	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2{2|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H){2|C<3>,3|C<4>,3|H<1>}	109.4032	2.680	6	109.3896	8.073	8	108.7942	7.373	11	108.7942	7.373	11	109.1377	11.833	14	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6,6]	C[6,6]	O[6]	4:2:2:	4:3:4:1:	3:4:	C[6,6]-4:O[6]-2:O[6]-2:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H)	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2{2|H<1>,4|C<3>,4|C<4>}	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H){2|C<3>,3|C<4>,3|H<1>}	106.1390	0.000	1	109.3896	8.073	8	108.7942	7.373	11	108.7942	7.373	11	109.1377	11.833	14	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6,6]	C[6,6]	O[6]	4:2:2:	4:3:4:1:	3:4:	C[6,6]-4:O[6]-2:O[6]-2:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H)	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2{3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H){2|C<3>,3|C<4>,3|H<1>}	112.5590	0.000	1	109.3896	8.073	8	108.7942	7.373	11	108.7942	7.373	11	109.1377	11.833	14	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6,6]	C[6,6]	O[6]	4:2:2:	4:3:4:1:	4:3:	C[6,6]-4:O[6]-2:O[6]-2:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:	N[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(O[6]C[6])	C[6,6](C[6]C[6,6]C[6a]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H)	O[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]O[6])	N[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(O[6]C[6]){3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]O[6]){4|H<1>,5|C<4>}	108.4170	0.000	1	108.4170	0.000	1	108.4170	0.000	1	108.4170	0.000	1	109.1377	11.833	14	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6,6]	C[6,6]	O[6]	4:2:3:	3:4:3:2:	4:3:	C[6,6]-4:O[6]-2:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:S-2:	C[6,6]-4:N[6,6]-3:	N[6,6](C[6,6]C[6]2S)(O[6]C[6,6])(C[6]C[6]O)	C[6,6](N[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]N[6]O)(SS)	O[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])	N[6,6](C[6,6]C[6]2S)(O[6]C[6,6])(C[6]C[6]O){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](N[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]N[6]O)(SS){1|O<1>,1|O<2>,4|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]){1|H<1>,1|O<1>,1|S<2>,2|C<3>,2|O<2>,3|C<4>}	117.2250	0.000	1	117.2250	0.000	1	117.2250	0.000	1	117.2250	0.000	1	109.1377	11.833	14	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6,6]	C[6,6]	O[6]	4:3:2:	3:3:3:1:	3:4:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6,6]-3:C[6]-4:	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(O[6]C[6])	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[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,5|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[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	105.5500	0.000	1	105.5500	0.000	1	105.5500	0.000	1	105.5500	0.000	1	109.1377	11.833	14	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6,6]	O[6]	4:3:2:	3:3:4:1:	4:3:	C[6,6]-4:C[6a]-3:O[6]-2:	C[6,6]-3:N[6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(C[6]O[6]HH)(H)	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]C[6a])	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6]){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(C[6]O[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]C[6a]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	107.0990	0.000	1	107.0990	0.000	1	107.0990	0.000	1	107.0990	0.000	1	107.0990	0.000	1	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	3:4:2:	3:3:1:1:	3:4:	C[6a]-3:C[6]-4:O[6]-2:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(H)2	O[6](N[6]C[6a]C[6])(C[6]C[6]HH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){4|C<3>,4|H<1>}	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6]HH){3|C<3>,3|H<1>}	107.9246	0.544	5	107.9246	0.296	5	107.7052	0.526	6	107.7052	0.526	6	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	3:4:2:	3:3:1:1:	3:4:	C[6a]-3:C[6]-4:O[6]-2:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(H)2	O[6](N[6]C[6a]C[6])(C[6]C[6]HN)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6]HN){1|O<2>,2|H<1>,3|C<3>}	106.6080	0.000	1	106.6080	0.000	1	107.7052	0.526	6	107.7052	0.526	6	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	3:4:2:	3:3:1:1:	4:3:	C[6a]-3:C[6]-4:O[6]-2:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](N[6]C[6a]O[6])(C[6]C[6,6]H)(H)2	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]O[6])(C[6]C[6,6]H)(H)2{2|C<3>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	107.7750	0.000	1	107.7750	0.000	1	107.7750	0.000	1	107.7750	0.000	1	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	3:4:2:	3:3:4:1:	3:4:	C[6a]-3:C[6]-4:O[6]-2:	N[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(CCHH)(H)	O[6](N[6]C[6a]C[6])(C[6]C[6]CH)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	108.0690	0.000	1	108.0690	0.000	1	108.0690	0.000	1	108.0690	0.000	1	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	3:4:2:	3:3:4:1:	4:3:	C[6a]-3:C[6]-4:O[6]-2:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])	C[6](C[6]C[6a]C[6])(N[6]C[6a]O[6])(CH3)(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6]){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6a]O[6])(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|C<4>,2|H<1>,5|C<3>}	107.0190	0.000	1	107.0190	0.000	1	107.0190	0.000	1	107.0190	0.000	1	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:2:1:	3:3:1:1:	4:3:	C[6]-4:O[6]-2:H-1:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[6,6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(N[6]O[6]H)(H)2	O[6](C[6]C[6,6]HH)(N[6]C[6]H)	N[6](C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]O[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6]HH)(N[6]C[6]H){1|C<3>,1|O<2>,3|H<1>}	108.6140	0.000	1	108.6140	0.000	1	108.6140	0.000	1	107.4700	2.617	2	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:2:1:	3:3:1:1:	4:3:	C[6]-4:O[6]-2:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:	N[6](C[6]C[6]HH)(O[6]C[6,6])(H)	C[6](C[6]C[6,6]H)(N[6]O[6]H)(H)2	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)	N[6](C[6]C[6]HH)(O[6]C[6,6])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(N[6]O[6]H)(H)2{2|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	106.3260	0.000	1	106.3260	0.000	1	106.3260	0.000	1	107.4700	2.617	2	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:2:3:	3:3:4:1:	4:3:	C[6]-4:O[6]-2:C-3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:	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)	O[6](C[6]C[6]HN)(N[6]C[6]C)	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>}	O[6](C[6]C[6]HN)(N[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	114.1590	0.000	1	114.1590	0.000	1	114.1590	0.000	1	114.1590	0.000	1	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:2:3:	3:4:3:1:	4:3:	C[6]-4:O[6]-2:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:	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)	O[6](C[6]C[6]HH)(N[6]C[6]C)	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>}	O[6](C[6]C[6]HH)(N[6]C[6]C){1|C<3>,2|C<4>,2|H<1>}	112.6230	0.000	1	112.6230	0.000	1	112.6230	0.000	1	112.6230	0.000	1	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:2:3:	4:3:1:1:	4:3:	C[6]-4:O[6]-2:C-3:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:	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	O[6](C[6,6]C[3,6,6]C[6]C)(N[6]C[6]C)	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>}	O[6](C[6,6]C[3,6,6]C[6]C)(N[6]C[6]C){1|O<2>,3|C<4>,4|H<1>}	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	111.8852	2.079	4	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:2:3:	4:3:1:1:	4:3:	C[6]-4:O[6]-2:C-3:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:	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	O[6](C[6]C[4,6]HH)(N[6]C[6]C)	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>}	O[6](C[6]C[4,6]HH)(N[6]C[6]C){2|C<4>,3|H<1>}	113.0020	0.000	1	113.0020	0.000	1	113.0020	0.000	1	111.8852	2.079	4	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:2:3:	4:3:1:1:	4:3:	C[6]-4:O[6]-2:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:	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	O[6](C[6]C[6,6]HH)(N[6]C[6]C)	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>}	O[6](C[6]C[6,6]HH)(N[6]C[6]C){1|C<4>,1|O<2>,3|H<1>}	112.5530	0.000	1	112.5530	0.000	1	112.5530	0.000	1	111.8852	2.079	4	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:2:3:	4:3:1:1:	4:3:	C[6]-4:O[6]-2:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:	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	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)	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>}	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C){2|C<4>,2|O<2>,4|H<1>}	112.2080	0.000	1	112.2080	0.000	1	112.2080	0.000	1	111.8852	2.079	4	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:2:3:	4:3:2:1:	4:3:	C[6]-4:O[6]-2:C-3:	C[6]-4:N[6]-3:O[6]-2:H-1:	C[6]-4:N[6]-3:	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)	O[6](C[6]C[6]CH)(N[6]C[6]C)	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>}	O[6](C[6]C[6]CH)(N[6]C[6]C){1|C<4>,1|O<2>,3|H<1>}	111.5700	0.000	1	111.5700	0.000	1	111.5700	0.000	1	111.5700	0.000	1	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:2:4:	3:3:2:1:	4:3:	C[6]-4:O[6]-2:C-4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[6a]O[6]H)(O[6]C[6])(CH3)	C[6](C[6a]C[6a]2)(N[6]O[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	N[6](C[6]C[6a]O[6]H)(O[6]C[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]O[6]C)(O[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){1|O<2>,3|C<3>,3|H<1>}	105.1040	0.574	2	105.1040	0.330	2	105.1040	0.330	2	105.1040	0.330	2	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:2:4:	3:3:3:1:	4:3:	C[6]-4:O[6]-2:C-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	110.7120	0.000	1	110.4515	0.136	2	110.4515	0.136	2	110.4515	0.136	2	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:2:4:	3:3:3:1:	4:3:	C[6]-4:O[6]-2:C-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.1910	0.000	1	110.4515	0.136	2	110.4515	0.136	2	110.4515	0.136	2	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:2:4:	4:3:1:1:	4:3:	C[6]-4:O[6]-2:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:	N[6](C[6]C[5,6]HH)(O[6]C[5,6])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(N[6]O[6]C)(H)2	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)	N[6](C[6]C[5,6]HH)(O[6]C[5,6])(CH3){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(N[6]O[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	109.3520	0.000	2	109.3520	0.000	2	109.3520	0.000	2	108.4853	2.253	3	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:2:4:	4:3:1:1:	4:3:	C[6]-4:O[6]-2:C-4:	C[6]-4:N[6]-3:H-1:H-1:	Ga[6]-4:N[6]-3:	N[6](C[6]C[6]HH)(O[6]Ga[6])(CH3)	C[6](C[6]N[6]HH)(N[6]O[6]C)(H)2	O[6](Ga[6]N[6]CC)(N[6]C[6]C)	N[6](C[6]C[6]HH)(O[6]Ga[6])(CH3){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]O[6]C)(H)2{1|Ga<4>,1|C<4>,1|O<2>}	O[6](Ga[6]N[6]CC)(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>}	106.7520	0.000	1	106.7520	0.000	1	106.7520	0.000	1	108.4853	2.253	3	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:2:4:	4:3:3:1:	4:3:	C[6]-4:O[6]-2:C-4:	C[5,6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:N[6]-3:	N[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6a]CH)	C[6](C[5,6]C[5,6]C[5]H)(N[6]O[6]C)(COO)(H)	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)	N[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]O[6]C)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	110.1970	0.000	1	110.1970	0.000	1	110.1970	0.000	1	110.1970	0.000	1	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:2:4:	4:3:4:1:	4:3:	C[6]-4:O[6]-2:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[6]CH)(O[6]C[6])(CH3)	C[6](C[6]N[6]HH)(N[6]O[6]C)(CH3)(H)	O[6](C[6]C[5,5]N[6]H)(N[6]C[6]C)	N[6](C[6]C[6]CH)(O[6]C[6])(CH3){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]O[6]C)(CH3)(H){1|C<4>,1|H<1>}	O[6](C[6]C[5,5]N[6]H)(N[6]C[6]C){2|H<1>,2|O<2>,3|C<4>}	106.3660	0.000	1	106.3660	0.000	1	106.3660	0.000	1	106.3660	0.000	1	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:3:2:	3:3:1:1:	3:4:	C[6]-4:C[6a]-3:O[6]-2:	C[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2	O[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	O[6](N[6]C[6a]C[6])(C[6]C[6,6]HH){1|N<3>,3|C<3>,3|H<1>}	108.0450	0.274	2	107.3203	1.613	3	107.2177	1.117	4	107.2177	1.117	4	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:3:2:	3:3:1:1:	3:4:	C[6]-4:C[6a]-3:O[6]-2:	C[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2	O[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O[6](N[6]C[6a]C[6])(C[6]C[6,6]HH){1|O<2>,3|C<3>,3|H<1>}	105.8710	0.000	1	107.3203	1.613	3	107.2177	1.117	4	107.2177	1.117	4	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:3:2:	3:3:1:1:	3:4:	C[6]-4:C[6a]-3:O[6]-2:	C[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(H)2	O[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](N[6]C[6a]C[6])(C[6]C[6,6]HH){1|O<2>,3|C<3>,3|H<1>}	106.9100	0.000	1	106.9100	0.000	1	107.2177	1.117	4	107.2177	1.117	4	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:3:2:	3:3:3:1:	3:4:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	O[6](N[6]C[6a]C[6])(C[6]C[6]HH)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){4|H<1>,6|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6]HH){1|H<1>,1|O<2>,4|C<3>}	108.1810	0.000	1	108.1810	0.000	1	108.1810	0.000	1	105.4535	4.142	4	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:3:2:	3:3:3:1:	3:4:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:C[6]-4:	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]O)(H)	O[6](N[6]C[6a]C[6])(C[6]C[6]CC)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>,5|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[6](N[6]C[6a]C[6])(C[6]C[6]CC){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	105.8370	0.000	1	105.8370	0.000	1	104.5443	1.253	3	105.4535	4.142	4	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:3:2:	3:3:3:1:	3:4:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:C[6]-4:	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	O[6](N[6]C[6a]C[6])(C[6]C[6]CC)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|S<4>,2|H<1>,3|C<4>,4|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,4|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CC){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	103.8980	0.000	2	103.8980	0.000	2	104.5443	1.253	3	105.4535	4.142	4	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:3:2:	3:3:3:1:	4:3:	C[6]-4:C[6a]-3:O[6]-2:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(C[6a]C[6a]2)(H)	O[6](C[6]C[5a,6]CC)(N[6]C[6a]C[6])	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6]){2|C<4>,2|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	O[6](C[6]C[5a,6]CC)(N[6]C[6a]C[6]){1|H<1>,1|N<3>,4|C<3>}	108.5140	0.000	1	108.5140	0.000	1	108.5140	0.000	1	108.2495	0.140	2	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:3:2:	3:3:3:1:	4:3:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){3|H<1>,7|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|H<1>,1|O<2>,6|C<3>}	107.9850	0.000	1	107.9850	0.000	1	107.9850	0.000	1	108.2495	0.140	2	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:3:2:	3:3:4:1:	3:4:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	O[6](N[6]C[6a]C[6])(C[6]C[6]CH)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|H<1>,7|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,4|C<3>,4|H<1>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	110.2720	0.000	1	110.2720	0.000	1	110.2720	0.000	1	110.2720	0.000	1	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:3:2:	3:3:4:1:	4:3:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|C<4>,4|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|C<4>,3|H<1>,5|C<3>}	110.0655	0.320	2	110.0655	0.103	2	110.0655	0.103	2	110.0655	0.103	2	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:4:2:	3:3:3:1:	4:3:	C[6]-4:S-4:O[6]-2:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[5,6]C[6a]H)(SC[6a]OO)(O[6]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]O[6]S)(H)	O[6](C[6]C[5,6]HH)(N[6]C[6]S)	N[6](C[6]C[5,6]C[6a]H)(SC[6a]OO)(O[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]O[6]S)(H){2|C<4>,3|H<1>,4|C<3>}	O[6](C[6]C[5,6]HH)(N[6]C[6]S){1|C<4>,2|C<3>,2|H<1>}	113.9900	0.000	1	113.9900	0.000	1	113.9900	0.000	1	113.9900	0.000	1	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:4:2:	3:3:4:1:	4:3:	C[6]-4:C-4:O[6]-2:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])	C[6](C[6]C[6]O)(N[6]O[6]C)(CC[5]HO)(H)	O[6](C[6]C[6]HH)(N[6]C[6]C)	N[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6]){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]O)(N[6]O[6]C)(CC[5]HO)(H){1|C<4>,1|H<1>}	O[6](C[6]C[6]HH)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	109.9070	0.154	2	109.9070	0.024	2	109.9070	0.024	2	109.9070	0.024	2	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:4:2:	3:4:3:1:	4:3:	C[6]-4:C-4:O[6]-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(O[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]O[6]C)(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]O[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	107.5025	1.196	2	107.5025	1.430	2	107.5025	1.430	2	107.1770	1.033	3	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:4:2:	3:4:3:1:	4:3:	C[6]-4:S-4:O[6]-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[6a]C[6]H)(SC[6a]OO)(O[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]O[6]S)(H)	O[6](C[6]C[6]HH)(N[6]C[6]S)	N[6](C[6]C[6a]C[6]H)(SC[6a]OO)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]O[6]S)(H){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6]C[6]HH)(N[6]C[6]S){1|C<3>,2|C<4>,2|H<1>}	106.5260	0.000	1	106.5260	0.000	1	106.5260	0.000	1	107.1770	1.033	3	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:4:2:	4:3:3:1:	4:3:	C[6]-4:C-4:O[6]-2:	C[5]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[5]C[6]H)(CC[6a]HH)(O[6]C[6])	C[6](C[5]C[5]O[5]H)(C[6]C[6]O)(N[6]O[6]C)(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	N[6](C[6]C[5]C[6]H)(CC[6a]HH)(O[6]C[6]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]O)(N[6]O[6]C)(H){1|O<2>,2|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	108.8040	0.000	1	108.8040	0.000	1	108.8040	0.000	1	108.8040	0.000	1	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:4:2:	4:3:4:1:	4:3:	C[6]-4:C-4:O[6]-2:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H)	O[6](C[6]C[5,6]CH)(N[6]C[6]C)	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	O[6](C[6]C[5,6]CH)(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>}	104.3100	0.000	1	104.3100	0.000	1	104.2610	0.005	2	104.2610	0.005	2	108.4348	6.517	49	108.5501	5.718	106
856	466	622	6:SP3_SP3_SP3	N[6]	C[6]	O[6]	4:4:2:	4:3:4:1:	4:3:	C[6]-4:C-4:O[6]-2:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H)	O[6](C[6]C[5,6]HN)(N[6]C[6]C)	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	O[6](C[6]C[5,6]HN)(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>}	104.2120	0.000	1	104.2120	0.000	1	104.2610	0.005	2	104.2610	0.005	2	108.4348	6.517	49	108.5501	5.718	106
856	466	643	0:SP2_SP2_SP2	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	119.7220	0.000	1	119.7220	0.000	1	119.7220	0.000	1	119.7220	0.000	1	119.7220	0.000	1	119.7220	0.000	1
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6a]	3:4:2:	3:4:3:1:	3:3:2:	C[6a]-3:C[3x6]-4:O[6,6]-2:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	N[6,6]-3:C[6a]-3:N[6a]-2:	N[6,6](C[6a]C[6a]N[6a])(C[3x6]C[6,6]2H)(O[6,6]C[3x6])	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6,6](C[6a]C[6a]N[6a])(C[3x6]C[6,6]2H)(O[6,6]C[3x6]){2|C<4>,3|C<3>,4|H<1>}	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,3|C<4>}	117.1720	0.000	1	117.1720	0.000	1	117.1720	0.000	1	117.1720	0.000	1	118.2840	5.027	24	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6a]	4:2:3:	3:4:4:1:	3:3:3:	C[3x6]-4:O[6,6]-2:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(C[6a]C[6a]2)	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(H)	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)2	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(C[6a]C[6a]2){3|C<3>,3|C<4>,5|H<1>}	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	118.4935	0.964	4	118.4935	0.929	4	118.4935	0.929	4	118.4935	0.929	4	118.2840	5.027	24	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6a]	4:2:3:	3:4:4:4:	3:3:3:	C[3x6]-4:C[6,6]-2:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6])(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6])(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2{1|C<3>,2|H<1>,4|C<4>}	119.8410	0.000	1	119.8410	0.000	1	119.8410	0.000	1	119.8410	0.000	1	118.2840	5.027	24	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[3x6]-4:C[6,6]-3:C[6a]-3:	N[5,6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2)	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	122.1120	0.000	1	121.3857	0.521	3	121.3857	0.521	3	121.3857	0.521	3	118.2840	5.027	24	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[3x6]-4:C[6,6]-3:C[6a]-3:	N[5,6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2)	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	121.0225	0.501	2	121.3857	0.521	3	121.3857	0.521	3	121.3857	0.521	3	118.2840	5.027	24	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6a]	4:3:3:	3:4:4:1:	3:3:3:	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[6a]-3:C[6a]-3:	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)	C[6a](N[6,6]C[3x6]N[6,6])(C[6a]C[6a]C)(C[6a]C[6a]H)	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>}	C[6a](N[6,6]C[3x6]N[6,6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,5|C<4>}	119.0750	0.000	1	119.0750	0.000	1	115.4805	25.841	2	115.4805	25.841	2	118.2840	5.027	24	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6a]	4:3:3:	3:4:4:1:	3:3:3:	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[6a]-3:C[6a]-3:	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)	C[6a](N[6,6]C[3x6]N[6,6])(C[6a]C[6a]H)2	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>}	C[6a](N[6,6]C[3x6]N[6,6])(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	111.8860	0.000	1	111.8860	0.000	1	115.4805	25.841	2	115.4805	25.841	2	118.2840	5.027	24	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6a]	4:3:3:	3:4:4:4:	3:3:3:	C[3x6]-4:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]B)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]B)(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|B<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2{1|B<4>,1|C<3>,2|H<1>,4|C<4>}	117.1130	1.015	8	117.1130	1.031	8	117.5111	2.328	9	117.5111	2.328	9	118.2840	5.027	24	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6a]	4:3:3:	3:4:4:4:	3:3:3:	C[3x6]-4:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]Se)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]Se)(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|Se<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2{1|Se<1>,1|C<3>,2|H<1>,4|C<4>}	120.6960	0.000	1	120.6960	0.000	1	117.5111	2.328	9	117.5111	2.328	9	118.2840	5.027	24	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6a]	4:4:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[3x6]-4:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	119.4910	0.000	1	119.4910	0.000	1	119.4910	0.000	1	119.4910	0.000	1	118.2840	5.027	24	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6a]	4:4:3:	3:4:3:4:	3:3:3:	C[3x6]-4:C[6,6]-4:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(CH3)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(CH3){2|C<3>,3|C<4>,3|H<1>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	116.0030	0.000	1	116.0030	0.000	1	116.0030	0.000	1	116.0030	0.000	1	118.2840	5.027	24	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6a]	4:4:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[3x6]-4:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|C<3>,7|H<1>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	118.7520	0.000	1	118.7520	0.000	1	118.7520	0.000	1	118.7520	0.000	1	118.2840	5.027	24	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6a]	4:4:3:	3:4:4:4:	3:3:3:	C[6,6]-4:C[3x6]-4:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[3x6]B[5a]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2	N[6,6](C[6,6]C[3x6]B[5a]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|B<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2{1|B<3>,1|C<3>,3|H<1>,4|C<4>}	120.8640	0.000	1	120.8640	0.000	1	120.8640	0.000	1	120.8640	0.000	1	118.2840	5.027	24	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[6,6]-4:P[3x6]-3:C[6a]-3:	N[6,6]-3:P[3x6]-3:H-1:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2)(C[6a]C[6a]2)	C[6,6](N[6,6]P[3x6]C[6a])(P[3x6]C[6,6]2)(H)2	C[6a](N[6,6]C[6,6]P[3x6])(C[6a]C[6a]H)2	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6,6](N[6,6]P[3x6]C[6a])(P[3x6]C[6,6]2)(H)2{2|C<3>,2|N<3>,4|H<1>}	C[6a](N[6,6]C[6,6]P[3x6])(C[6a]C[6a]H)2{1|C<3>,1|P<3>,2|N<3>,4|H<1>}	119.1603	0.563	3	119.1603	0.317	3	119.1603	0.317	3	119.1603	0.317	3	118.2248	2.429	27	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6a]-3:P[6,6]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[6,6a]2H)(C[6a]C[6a]2)(P[6,6]O[6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6a])(H)	C[6a](N[6,6]C[6,6]P[6,6])(C[6a]C[6a]H)2	N[6,6](C[6,6]C[6,6a]2H)(C[6a]C[6a]2)(P[6,6]O[6]2){2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6a])(H){2|H<1>,2|O<2>,6|C<3>}	C[6a](N[6,6]C[6,6]P[6,6])(C[6a]C[6a]H)2{1|H<1>,2|C<4>,2|O<2>,3|C<3>}	119.3980	0.000	1	119.3980	0.000	1	119.3980	0.000	1	119.3980	0.000	1	118.2248	2.429	27	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6a]	4:3:3:	3:4:1:1:	3:3:3:	C[6,6]-4:P[3x6]-3:C[6a]-3:	N[6,6]-3:P[3x6]-4:H-1:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2)(C[6a]C[6a]2)	C[6,6](N[6,6]P[3x6]C[6a])(P[3x6]C[6,6]2Mo)(H)2	C[6a](N[6,6]C[6,6]P[3x6])(C[6a]C[6a]H)2	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2)(C[6a]C[6a]2){1|Mo<6>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](N[6,6]P[3x6]C[6a])(P[3x6]C[6,6]2Mo)(H)2{2|C<3>,2|N<3>,4|H<1>}	C[6a](N[6,6]C[6,6]P[3x6])(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|N<3>,4|H<1>}	118.0191	0.829	9	118.0191	0.688	9	118.0191	0.688	9	118.0191	0.688	9	118.2248	2.429	27	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6a]	4:4:3:	3:3:2:1:	3:2:2:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	N[6,6]-3:N[6a]-2:N[6a]-2:	N[6,6](C[6,6]C[6,6a]O[6]H)2(C[6a]N[6a]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6a])(O[6]C[6,6a])(H)	C[6a](N[6,6]C[6,6]2)(N[6a]C[6a])2	N[6,6](C[6,6]C[6,6a]O[6]H)2(C[6a]N[6a]2){6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6a])(O[6]C[6,6a])(H){1|O<2>,2|H<1>,2|N<2>,4|C<3>}	C[6a](N[6,6]C[6,6]2)(N[6a]C[6a])2{2|O<2>,3|C<3>,4|H<1>}	120.1720	0.464	2	120.1720	0.215	2	120.1720	0.215	2	120.1720	0.215	2	118.2248	2.429	27	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[6,6]-4:C[6,6]-4:C[6a]-3:	N[6,6]-3:C[6]-3:C[6]-4:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(C[6a]C[6a]2)	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[5,6]N)(C[6]C[6]HH)(H)	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(C[6a]C[6a]2){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	117.4150	0.000	1	117.4150	0.000	1	117.4150	0.000	1	117.8050	0.119	3	118.2248	2.429	27	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[6,6]-4:C[6,6]-4:C[6a]-3:	N[6,6]-3:N[5,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(C[6a]C[6a]2)	C[6,6](N[6,6]C[6,6]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(C[6a]C[6a]2){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[6,6](N[6,6]C[6,6]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	118.0730	0.000	1	118.0730	0.000	1	118.0730	0.000	1	117.8050	0.119	3	118.2248	2.429	27	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[6,6]-4:C[6,6]-4:C[6a]-3:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,6|H<1>}	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<2>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	117.9270	0.000	1	117.9270	0.000	1	117.9270	0.000	1	117.8050	0.119	3	118.2248	2.429	27	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6a]	4:4:3:	3:4:2:1:	3:3:3:	C[6,6]-4:C[6,6]-4:C[6a]-3:	N[6,6]-3:C[6]-4:N[6]-2:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)(N[6]C[6,6])(H)	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,6|H<1>}	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)(N[6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	114.7380	0.000	1	114.7380	0.000	1	114.7380	0.000	1	114.7380	0.000	1	118.2248	2.429	27	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6a]	4:4:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[3x6]-4:C[6a]-3:	N[6,6]-3:C[3x6]-4:B[5a]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[3x6]B[5a]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[5a]O[5a]2)(H)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2	N[6,6](C[6,6]C[3x6]B[5a]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[5a]O[5a]2)(H){3|H<1>,4|C<3>,4|C<4>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2{1|B<3>,1|C<3>,3|H<1>,4|C<4>}	121.1540	0.000	1	121.1540	0.000	1	121.1540	0.000	1	118.2417	6.587	3	118.2248	2.429	27	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6a]	4:4:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[3x6]-4:C[6a]-3:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|C<3>,7|H<1>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	116.3100	0.000	1	116.7855	0.452	2	116.7855	0.452	2	118.2417	6.587	3	118.2248	2.429	27	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6a]	4:4:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[3x6]-4:C[6a]-3:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	117.2610	0.000	1	116.7855	0.452	2	116.7855	0.452	2	118.2417	6.587	3	118.2248	2.429	27	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6a]	4:4:3:	3:4:4:1:	3:3:3:	C[3x6]-4:C[6,6]-4:C[6a]-3:	N[6,6]-3:C[3x6]-4:C-4:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(CCHH)(H)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(CCHH)(H){2|H<1>,3|C<3>,3|C<4>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	114.1880	0.000	1	114.1880	0.000	1	114.1880	0.000	1	117.9592	4.596	5	118.2248	2.429	27	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6a]	4:4:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6]-4:C[6a]-3:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H)	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2	N[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2){10|H<1>,1|C<4>,3|C<3>}	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	118.9020	0.449	4	118.9020	0.202	4	118.9020	0.202	4	117.9592	4.596	5	118.2248	2.429	27	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a])	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<2>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a]){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	118.2330	0.000	1	118.2330	0.000	1	118.3880	0.048	2	118.3880	0.048	2	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a])	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<2>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a]){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	118.5430	0.000	1	118.5430	0.000	1	118.3880	0.048	2	118.3880	0.048	2	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-3: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:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	119.6970	0.000	1	119.6970	0.000	1	119.6970	0.000	1	119.6970	0.000	1	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6]-2:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]N[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]N[6]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,7|H<1>}	110.1250	0.000	1	110.1250	0.000	1	110.1250	0.000	1	110.1250	0.000	1	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6a]C[6,6a]2)(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])2(N[6,6]C[6,6]C[6])	N[6,6](C[6,6a]C[6,6a]2)(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])2(N[6,6]C[6,6]C[6]){2|C<3>,4|N<3>,8|H<1>}	112.9257	0.646	12	112.9257	0.417	12	112.9257	0.417	12	112.5407	0.459	85	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,7|H<1>}	112.6115	0.388	2	112.6115	0.151	2	112.6000	0.388	61	112.5407	0.459	85	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Br<1>,1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br){1|N<3>,2|C<3>,8|H<1>}	112.5487	0.397	6	112.5487	0.158	6	112.6000	0.388	61	112.5407	0.459	85	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|F<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|F<1>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]F){1|N<3>,2|C<3>,2|F<1>,6|H<1>}	113.0280	0.000	1	113.0280	0.000	1	112.6000	0.388	61	112.5407	0.459	85	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,7|H<1>}	112.2080	0.000	1	112.5638	0.501	33	112.6000	0.388	61	112.5407	0.459	85	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	112.5848	0.726	31	112.5638	0.501	33	112.6000	0.388	61	112.5407	0.459	85	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<4>,2|C<3>,8|H<1>}	112.2670	0.000	1	112.5638	0.501	33	112.6000	0.388	61	112.5407	0.459	85	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5]){1|N<3>,4|C<3>,8|H<1>}	112.9603	0.421	8	112.9603	0.177	8	112.6000	0.388	61	112.5407	0.459	85	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5a])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5a]){1|N<3>,4|C<3>,8|H<1>}	112.6630	0.174	4	112.6630	0.030	4	112.6000	0.388	61	112.5407	0.459	85	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]S)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|S<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]S){1|N<3>,2|C<3>,8|H<1>}	112.3568	0.854	4	112.3568	0.729	4	112.6000	0.388	61	112.5407	0.459	85	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Se)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Se<2>,1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Se){1|N<3>,2|C<3>,8|H<1>}	112.4900	0.677	2	112.4900	0.459	2	112.6000	0.388	61	112.5407	0.459	85	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a,6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a,6a]H){1|N<3>,3|C<3>,7|H<1>}	111.7110	0.000	1	111.7110	0.000	1	112.6000	0.388	61	112.5407	0.459	85	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]2)(H)2{2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	111.8542	0.524	12	111.8542	0.274	12	111.8542	0.274	12	112.5407	0.459	85	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	115.7700	0.000	1	115.7700	0.000	1	115.7700	0.000	1	115.7700	0.000	1	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a])	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a]){2|C<4>,3|C<3>,6|H<1>}	112.5800	0.000	1	112.5800	0.000	1	112.5800	0.000	1	112.5800	0.000	1	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[3x6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2{2|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	118.7320	0.000	1	118.7320	0.000	1	118.7320	0.000	1	119.0985	5.632	14	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-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:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	119.3060	0.000	1	119.3060	0.000	1	119.1267	6.089	13	119.0985	5.632	14	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-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:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	114.0230	0.000	1	114.0230	0.000	1	119.1267	6.089	13	119.0985	5.632	14	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-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:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	117.9710	0.000	1	117.9710	0.000	1	119.1267	6.089	13	119.0985	5.632	14	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-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:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	116.8835	0.695	2	116.8835	0.483	2	119.1267	6.089	13	119.0985	5.632	14	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-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:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	118.9535	0.617	2	119.8427	3.515	4	119.1267	6.089	13	119.0985	5.632	14	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-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:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	122.6030	0.000	1	119.8427	3.515	4	119.1267	6.089	13	119.0985	5.632	14	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-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:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){2|C<4>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	118.8610	0.000	1	119.8427	3.515	4	119.1267	6.089	13	119.0985	5.632	14	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-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:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|S<4>,4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,5|H<1>}	122.1540	0.000	1	122.1540	0.000	1	119.1267	6.089	13	119.0985	5.632	14	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-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:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	119.8380	0.000	1	119.8380	0.000	1	119.1267	6.089	13	119.0985	5.632	14	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-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:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	122.6870	0.000	1	122.6870	0.000	1	119.1267	6.089	13	119.0985	5.632	14	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-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:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,6|H<1>}	119.5300	0.000	1	119.5300	0.000	1	119.1267	6.089	13	119.0985	5.632	14	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	4:3:4:	3:3:3:1:	3:3:3:	C[3x6]-4:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:N-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H)	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H){3|C<3>,3|N<3>,5|H<1>}	112.6520	0.000	1	112.6520	0.000	1	112.6520	0.000	1	112.6520	0.000	1	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	4:3:4:	3:4:1:1:	3:3:3:	C[6,6]-4:C[6,6a]-3: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:	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,3|H<1>,6|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	120.3820	0.000	1	120.3820	0.000	1	120.3820	0.000	1	120.3820	0.000	1	113.6572	7.338	107	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[3x6]-4:C[6,6]-3:C[6a]-3:	N[6,6]-3:N[6]-3:C[5x6]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[3x6]C[5x6]N[6,6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[3x6](N[6,6]C[4,3x6]C)(N[6]C[6,6]C[6a])(C[5x6]C[4x6]2N)(H)	C[6a](N[6]C[3x6]C[6,6])(C[6a]C[6a]H)2	N[6](C[3x6]C[5x6]N[6,6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,3|C<3>,4|H<1>,5|C<4>}	C[3x6](N[6,6]C[4,3x6]C)(N[6]C[6,6]C[6a])(C[5x6]C[4x6]2N)(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](N[6]C[3x6]C[6,6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	114.2430	0.629	2	114.2430	0.396	2	114.2430	0.396	2	114.2430	0.396	2	114.2430	0.396	2	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6,6]	C[6a]	4:3:2:	3:3:3:1:	3:3:3:	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[6a]-3:C[6a]-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)	C[6a](N[6]C[6,6]N[6])(C[6a]C[6a]H)2	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>}	C[6a](N[6]C[6,6]N[6])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	125.3820	0.450	6	125.3820	0.202	6	125.3820	0.202	6	125.3820	0.202	6	120.3124	16.732	18	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6,6]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:	C[6,6]-3:N[6]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(C[6]O[6]HH)(H)	C[6a](N[6]C[6,6]O[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6]){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(C[6]O[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6]C[6,6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	116.4340	0.000	1	116.4340	0.000	1	116.4340	0.000	1	116.4340	0.000	1	120.3124	16.732	18	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6,6]-3:C[6a]-3:	N[6]-3:N[6,6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2)	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|C<2>,3|C<4>,4|C<3>,4|H<1>}	C[6,6](N[6]C[6,6]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	117.7600	0.000	1	117.7600	0.000	1	117.7600	0.000	1	117.7600	0.000	1	120.3124	16.732	18	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[6,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6](N[6]C[6a]C[6])2(C[6]C[6,6a]O)2	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]C)2	N[6](C[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|O<1>,4|C<4>,6|C<3>}	C[6,6](N[6]C[6a]C[6])2(C[6]C[6,6a]O)2{1|C<4>,2|O<1>,7|C<3>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	121.2125	0.060	2	121.2125	0.004	2	121.2125	0.004	2	121.2125	0.004	2	120.3124	16.732	18	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	115.3760	0.000	1	115.3760	0.000	1	115.3760	0.000	1	115.3760	0.000	1	120.3124	16.732	18	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6,6]-3:C[6a]-3:	N[6]-3:C[6,6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2)	N[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	116.4690	0.000	1	116.4690	0.000	1	116.4690	0.000	1	117.0665	0.714	2	120.3124	16.732	18	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6,6]-3:C[6a]-3:	N[6]-3:C[6]-4:N[6,6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(C[6]C[6,6a]BrH)(N[6,6]C[6,6]C)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2)	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|Br<1>,3|C<4>,4|C<3>,5|H<1>}	C[6,6](N[6]C[6,6]C[6a])(C[6]C[6,6a]BrH)(N[6,6]C[6,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	117.6640	0.000	1	117.6640	0.000	1	117.6640	0.000	1	117.0665	0.714	2	120.3124	16.732	18	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[3x6]-4:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](C[3x6]C[3x6]C[6,6]N)(N[6]C[6,6]C[6a])(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2)	N[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,3|C<3>,4|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]N)(N[6]C[6,6]C[6a])(N[6]C[6]C)(H){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	116.6090	0.000	1	116.6090	0.000	1	116.6090	0.000	1	118.4275	6.614	2	120.3124	16.732	18	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:N[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]OO)(N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]OO)(N[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	120.2460	0.000	1	120.2460	0.000	1	120.2460	0.000	1	118.4275	6.614	2	120.3124	16.732	18	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[6,6]-4:C[6a]-3:C[6]-3:	C[5,6,6]-4:N[6]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	116.2940	0.000	1	116.2940	0.000	1	116.2940	0.000	1	116.2940	0.000	1	120.3124	16.732	18	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6,6]	C[6a]	4:3:4:	3:4:2:1:	3:3:3:	C[6,6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6,6]-4:O[6]-2:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	114.9720	0.000	1	114.9720	0.000	1	114.9720	0.000	1	114.9720	0.000	1	120.3124	16.732	18	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6,6]	C[6a]	4:3:4:	3:4:4:3:	3:3:3:	C[6,6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:C[6]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6,6](N[6]C[6a]C[6])(C[6]C[6]HH)2(C[6]C[6]N)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH){1|N<3>,2|C<4>,3|C<3>,8|H<1>}	C[6,6](N[6]C[6a]C[6])(C[6]C[6]HH)2(C[6]C[6]N){1|C<2>,2|C<3>,4|C<4>,4|H<1>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	119.0820	0.000	1	119.0820	0.000	1	119.0820	0.000	1	119.0820	0.000	1	120.3124	16.732	18	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6]-4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(C[6]C[6]2H)	C[6](N[6]C[6,6a]C[6])(C[6]C[6]HH)2(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(C[6]C[6]2H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](N[6]C[6,6a]C[6])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	120.2230	0.000	1	120.2230	0.000	1	120.2230	0.000	1	120.2230	0.000	1	121.8235	5.123	2	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]O)	C[6](N[6]C[6,6a]C[6])(C[6]C[6]HH)2(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](N[6]C[6,6a]C[6])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>,3|C<4>}	123.4240	0.000	1	123.4240	0.000	1	123.4240	0.000	1	123.4240	0.000	1	121.8235	5.123	2	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:2:4:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:S[6]-2:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]S[6]CH)	C[6](N[6]C[6a]C[6])(S[6]C[6,6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]S[6]CH){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(S[6]C[6,6a])(CCHH)(H){1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	116.4520	0.000	1	116.4520	0.000	1	116.4520	0.000	1	116.4520	0.000	1	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:2:4:4:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-2:C-4:C-4:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CH3)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CH3)2{1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	118.5560	0.000	1	118.5560	0.000	1	118.5560	0.000	1	118.5560	0.000	1	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]HH){2|C<4>,2|H<1>,5|C<3>}	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(H)2{2|H<1>,6|C<3>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	116.9120	0.000	1	116.9120	0.000	1	116.9120	0.000	1	116.5867	0.467	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	116.2280	0.000	1	115.8955	0.221	2	116.5403	0.524	7	116.5867	0.467	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,1|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|C<1>,1|C<4>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	115.5630	0.000	1	115.8955	0.221	2	116.5403	0.524	7	116.5867	0.467	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]N[6,6]O)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6,6]O)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|O<1>,3|C<3>,4|H<1>}	117.8470	0.000	1	117.8470	0.000	1	116.5403	0.524	7	116.5867	0.467	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]N[6,6]O)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6,6]O)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	116.5360	0.358	4	116.5360	0.128	4	116.5403	0.524	7	116.5867	0.467	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){1|H<1>,1|O<2>,7|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CNO)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){3|H<1>,5|C<3>}	117.6630	0.000	1	117.6630	0.000	1	117.6630	0.000	1	117.0340	0.791	2	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]C)(CCH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH){1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]C)(CCH)(H){1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	116.4050	0.000	1	116.4050	0.000	1	116.4050	0.000	1	117.0340	0.791	2	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]N[6]CH){2|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	117.0140	0.000	1	117.0140	0.000	1	117.0140	0.000	1	117.0140	0.000	1	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC){3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2{1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	118.0185	0.173	2	118.0185	0.030	2	119.2254	1.622	5	119.2254	1.622	5	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]N[6]CC)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CCHH)(CH3)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]N[6]CC){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CCHH)(CH3){1|Pd<4>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Pd<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	119.1740	0.000	1	119.1740	0.000	1	119.2254	1.622	5	119.2254	1.622	5	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]N[6]CC)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]N[6]CC){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2{1|Pd<4>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Pd<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.4580	0.709	2	120.4580	0.502	2	119.2254	1.622	5	119.2254	1.622	5	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:N[6a]-2:	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	116.3780	0.000	1	118.5000	3.244	8	118.5000	3.244	8	118.5000	3.244	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:N[6a]-2:	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,2|N<3>,3|H<1>}	118.4540	1.976	3	118.5000	3.244	8	118.5000	3.244	8	118.5000	3.244	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:N[6a]-2:	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|N<2>,2|N<3>,3|H<1>}	119.2020	0.000	1	118.5000	3.244	8	118.5000	3.244	8	118.5000	3.244	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:N[6a]-2:	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	120.2490	0.099	2	118.5000	3.244	8	118.5000	3.244	8	118.5000	3.244	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:N[6a]-2:	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>,3|N<3>}	116.5600	0.000	1	118.5000	3.244	8	118.5000	3.244	8	118.5000	3.244	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,4|C<3>,5|H<1>}	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{4|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	119.2760	0.000	1	119.2760	0.000	1	118.0527	1.669	3	117.8788	1.696	12	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6,6a]C[6a])(C[6]P[6]HH)(H)2	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|P<4>,4|C<3>,5|H<1>}	C[6](N[6]C[6,6a]C[6a])(C[6]P[6]HH)(H)2{6|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	117.4410	1.045	2	117.4410	1.092	2	118.0527	1.669	3	117.8788	1.696	12	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]B[5a]B[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6]B[5a]B[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>,4|O<2>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|B<3>,1|B<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<3>,1|B<4>,1|C<3>,1|C<4>,4|H<1>}	116.1180	0.000	1	116.1180	0.000	1	117.6200	2.649	6	117.8788	1.696	12	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[4,6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[4,6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[4,6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[4,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	116.9973	1.399	3	116.9973	1.957	3	117.6200	2.649	6	117.8788	1.696	12	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]N[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]N[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	119.6470	0.000	1	119.6470	0.000	1	117.6200	2.649	6	117.8788	1.696	12	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]N[6,6]Pd)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6]N[6,6]Pd)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2{1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.9630	0.000	1	118.9630	0.000	1	117.6200	2.649	6	117.8788	1.696	12	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	Ge[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Ge[6]C[5,6]Cl)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]Ge[6])(C[6]N[5,6]HH)(H)2	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](Ge[6]C[5,6]Cl)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](N[6]C[6a]Ge[6])(C[6]N[5,6]HH)(H)2{1|Cl<1>,4|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	118.4010	1.020	2	118.4010	1.040	2	118.2227	0.615	3	117.8788	1.696	12	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	Ge[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Ge[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]Ge[6])(C[6]N[5,6]HH)(H)2	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](Ge[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](N[6]C[6a]Ge[6])(C[6]N[5,6]HH)(H)2{1|O<2>,4|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	117.8660	0.000	1	117.8660	0.000	1	118.2227	0.615	3	117.8788	1.696	12	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HO)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OC)(H){1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	118.8720	0.000	1	118.8720	0.000	1	118.1503	0.395	3	118.1503	0.395	3	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HO)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OH)(H){1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	117.7895	0.088	2	117.7895	0.008	2	118.1503	0.395	3	118.1503	0.395	3	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:4:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:C-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]CO)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(COO)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]CO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(COO)(OH){1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.7900	0.000	1	118.7900	0.000	1	118.7900	0.000	1	118.7900	0.000	1	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:C-4:C-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(CH3)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC){1|C<4>,4|C<3>,5|H<1>}	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(CH3){2|H<1>,4|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	118.1860	0.000	1	118.1860	0.000	1	118.1860	0.000	1	117.6850	0.502	2	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[3x6]Rh)(C[6a]C[6a]2)(C[6]C[6]CC)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6]C[3x6]Rh)(C[6a]C[6a]2)(C[6]C[6]CC){2|C<3>,2|H<1>,5|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{1|Rh<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Rh<4>,1|C<3>,2|H<1>,4|C<4>}	117.1840	0.000	1	117.1840	0.000	1	117.1840	0.000	1	117.6850	0.502	2	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2{1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	116.9060	0.000	1	116.9060	0.000	1	118.2346	1.017	8	118.2346	1.017	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	118.6534	0.985	5	118.6534	0.970	5	118.2346	1.017	8	118.2346	1.017	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	117.8520	0.550	2	117.8520	0.303	2	118.2346	1.017	8	118.2346	1.017	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-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	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	123.2255	0.021	4	123.7228	1.237	5	123.7228	1.237	5	123.7228	1.237	5	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-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	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	125.7120	0.000	1	123.7228	1.237	5	123.7228	1.237	5	123.7228	1.237	5	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:2:	3:3:2:1:	3:3:2:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:N[6]-3:O-2:H-1:	N[6]-3:C[6a]-3:N[6a]-2:	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)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	120.3970	0.000	1	120.3970	0.000	1	120.3970	0.000	1	120.3970	0.000	1	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:2:	3:3:3:1:	3:3:2:	C[6a]-3:C[6]-4:N[6]-2:	C[6,6a]-3:N[6]-3:N-3:H-1:	N[6]-3:C[6a]-3:N[6a]-2:	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)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	120.1080	0.000	1	120.1080	0.000	1	120.1080	0.000	1	120.1080	0.000	1	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:2:	3:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:O[6]-2:	N[6]-3:C[6]-3:N-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(NCH)(H)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(NCH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.9340	0.000	1	120.9340	0.000	1	120.9340	0.000	1	120.9340	0.000	1	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C[6]-4:Ge[6]-2:	N[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(Ge[6]N[6])	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)(H)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)(H){1|C<4>,1|N<3>,2|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.0340	0.000	1	119.0340	0.000	1	119.0340	0.000	1	117.9737	27.474	3	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:C[6a]-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)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	122.6040	0.000	1	122.6040	0.000	1	122.6040	0.000	1	117.9737	27.474	3	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C[6]-4:O[6]-2:	N[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(CC3)(H)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(CC3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	112.2830	0.000	1	112.2830	0.000	1	112.2830	0.000	1	117.9737	27.474	3	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-2:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	117.2200	0.000	1	117.2200	0.000	1	115.2898	2.304	6	115.6317	2.738	7	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-2:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]){1|P<3>,2|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	114.5625	0.446	2	114.9038	1.762	5	115.2898	2.304	6	115.6317	2.738	7	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-2:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	115.1313	1.798	3	114.9038	1.762	5	115.2898	2.304	6	115.6317	2.738	7	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:O[6]-2:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6]C[6]HO)(H)2	C[6a](N[6]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){1|O<2>,1|P<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]O[6])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	117.6830	0.000	1	117.6830	0.000	1	117.6830	0.000	1	115.6317	2.738	7	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[6a]-3:C[6a]-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)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	122.9020	0.000	1	122.9020	0.000	1	122.9020	0.000	1	122.9020	0.000	1	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C[6]-4:C[6]-2:	N[6]-3:C[6]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[3x6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[3x6]){2|C<3>,2|H<1>,5|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,2|H<1>,4|C<4>}	115.6500	0.000	1	115.6500	0.000	1	115.6500	0.000	1	115.6500	0.000	1	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:2:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:O[6]-2:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(O[6]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(O[6]C[6])(H)2{1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	121.8320	0.000	1	121.8320	0.000	1	121.8320	0.000	1	121.8320	0.000	1	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:2:4:3:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-2:C-4:C-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	124.1800	0.000	1	123.4905	0.951	2	123.4905	0.951	2	123.4905	0.951	2	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:2:4:3:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-2:C-4:C-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	122.8010	0.000	1	123.4905	0.951	2	123.4905	0.951	2	123.4905	0.951	2	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	114.8260	0.000	1	114.8260	0.000	1	116.3116	1.220	5	116.9244	5.120	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	116.6720	0.000	1	116.2897	0.132	3	116.3116	1.220	5	116.9244	5.120	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	116.0985	0.210	2	116.2897	0.132	3	116.3116	1.220	5	116.9244	5.120	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|N<3>,2|C<3>,5|H<1>}	117.8630	0.000	1	117.8630	0.000	1	116.3116	1.220	5	116.9244	5.120	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])2(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])2(H)2{3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,2|C<3>,5|H<1>}	120.2310	0.000	1	120.2310	0.000	1	117.0120	20.724	2	116.9244	5.120	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]S[6]S)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]S[6]S){2|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|N<3>,1|S<1>,1|S<2>,4|H<1>}	113.7930	0.000	1	113.7930	0.000	1	117.0120	20.724	2	116.9244	5.120	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]Pd)	C[6](N[6]C[6a]N[6])2(H)2	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]Pd){1|N<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]N[6])2(H)2{1|Pd<4>,5|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|C<3>,4|H<1>}	119.8130	0.000	1	119.8130	0.000	1	119.8130	0.000	1	116.9244	5.120	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:2:2:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:S-2:S-2:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]SS)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(SC)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]SS)(C[6]C[6]O){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])2(SC)2{1|C<4>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|S<2>}	120.3580	1.065	2	120.3580	1.134	2	120.3580	1.134	2	120.3580	1.134	2	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-3:N-3:H-1:	N[6]-3:C[6a]-3:N[6a]-2:	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)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	121.8930	0.000	1	121.8930	0.000	1	121.8930	0.000	1	121.8930	0.000	1	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H)	C[6a](N[6]C[5a,6]C[6])(C[6a]C[6a]H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,7|C<3>}	C[6a](N[6]C[5a,6]C[6])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	115.1300	0.000	1	115.1300	0.000	1	115.1300	0.000	1	117.0380	3.814	10	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	119.7860	0.000	1	119.7860	0.000	1	119.7860	0.000	1	117.0380	3.814	10	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6]-3:C[6]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)(H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	118.4720	0.000	1	118.4720	0.000	1	118.4720	0.000	1	117.0380	3.814	10	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2){3|H<1>,8|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[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	117.2500	0.000	1	117.2500	0.000	1	117.2500	0.000	1	117.0380	3.814	10	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(BCN)(H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])2(BCN)(H){1|C<4>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<3>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	117.5040	0.651	2	117.5040	0.423	2	117.5040	0.423	2	117.0380	3.814	10	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]HN)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(NHH)(H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]HN)(C[6]C[6]O){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])2(NHH)(H){1|C<4>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	114.1620	0.709	2	114.1620	0.502	2	114.1620	0.502	2	117.0380	3.814	10	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:P-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]HP)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(PC[6a]2)(H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]HP)(C[6]C[6]O){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])2(PC[6a]2)(H){1|C<4>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|P<3>,3|H<1>}	118.2050	0.638	2	118.2050	0.407	2	118.2050	0.407	2	117.0380	3.814	10	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:O-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[6a]C[6a]2)	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(OC)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(OC){1|Zn<4>,1|H<1>,1|N<3>,7|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	117.5020	0.000	1	117.5020	0.000	1	117.5020	0.000	1	117.5020	0.000	1	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(CCH)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]O){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])2(CCH)2{1|C<4>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	119.4125	2.314	2	119.4125	5.356	2	119.4125	5.356	2	119.4125	5.356	2	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	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:	N[6]-3:C[6a]-3:C[6a]-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[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	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[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	120.2580	0.000	1	120.2580	0.000	1	120.2580	0.000	1	119.1894	5.024	11	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:N[6]-3:C[5]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C[6a])(C[5]C[5]N[5]H)(H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2){1|C<4>,2|N<3>,3|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C[6a])(C[5]C[5]N[5]H)(H){1|N<2>,2|C<4>,4|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	118.7470	0.000	1	118.7470	0.000	1	118.7470	0.000	1	119.1894	5.024	11	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCHH)(H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCHH)(H){1|H<1>,6|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	119.1110	0.000	1	119.1110	0.000	1	119.1110	0.000	1	119.1894	5.024	11	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	117.3170	0.000	1	117.3170	0.000	1	117.9185	0.724	2	119.1894	5.024	11	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	118.5200	0.000	1	118.5200	0.000	1	117.9185	0.724	2	119.1894	5.024	11	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:B-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(BHHN)(H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])2(BHHN)(H){1|C<4>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<4>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	115.8675	0.920	2	115.8675	0.846	2	119.5217	8.855	6	119.1894	5.024	11	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:B-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(BHHS)(H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])2(BHHS)(H){1|C<4>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<4>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	121.3545	0.281	2	121.3545	0.079	2	119.5217	8.855	6	119.1894	5.024	11	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:B-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(BN[6]HH)(H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])2(BN[6]HH)(H){1|C<4>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<4>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	121.3430	1.814	2	121.3430	3.292	2	119.5217	8.855	6	119.1894	5.024	11	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.9760	0.000	1	120.9760	0.000	1	120.9760	0.000	1	120.9760	0.000	1	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:N[6a]-2:	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	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	124.0150	0.000	1	124.0150	0.000	1	124.0150	0.000	1	124.0150	0.000	1	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:B[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]N)	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]N){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	112.1070	0.618	2	112.1070	0.382	2	113.1154	2.551	5	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:B[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]O)	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]O){1|B<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|O<2>,4|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	111.7220	0.000	1	113.2075	4.413	2	113.1154	2.551	5	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:B[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]O)	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	114.6930	0.000	1	113.2075	4.413	2	113.1154	2.551	5	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:B[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]S)	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]S){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|C<4>,1|S<2>,3|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|S<2>,2|C<4>,4|H<1>}	114.9480	0.000	1	114.9480	0.000	1	113.1154	2.551	5	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	120.5140	0.000	1	120.2820	0.108	2	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	120.0500	0.000	1	120.2820	0.108	2	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	114.0540	0.000	1	114.0540	0.000	1	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	115.9390	0.000	1	115.9390	0.000	1	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	116.7980	0.000	1	115.6792	1.692	4	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	113.9700	0.000	1	115.6792	1.692	4	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	115.9745	0.853	2	115.6792	1.692	4	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	114.7030	0.000	1	114.7030	0.000	1	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|O<2>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|F<1>,1|O<1>,2|C<4>,3|H<1>}	116.3850	0.000	1	116.1203	1.699	3	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|O<2>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	115.9880	1.814	2	116.1203	1.699	3	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Al)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Al){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Al<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Al<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	114.6427	1.611	10	114.6427	2.596	10	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]B)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]B){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|B<3>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.8210	0.640	4	116.5873	25.441	6	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]B)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]B){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	110.1200	0.704	2	116.5873	25.441	6	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Br)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Br){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	116.1227	0.782	10	116.1227	0.612	10	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ga)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ga){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ga<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Ga<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	112.9360	0.801	4	112.9360	0.642	4	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){1|Pd<4>,2|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.8740	0.000	1	119.2279	1.586	9	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){2|C<3>,2|H<1>,4|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	118.9890	0.614	3	119.2279	1.586	9	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.8920	0.000	1	119.2279	1.586	9	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	118.5795	1.239	4	119.2279	1.586	9	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.0233	0.341	3	120.0233	0.117	3	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	118.6290	1.199	2	118.6290	1.438	2	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]In)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]In){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|In<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|In<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	113.2435	0.839	2	113.2435	0.704	2	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2{1|Ir<6>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	115.8050	0.000	1	115.8050	0.000	1	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ir<3>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Ir<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	112.2855	1.033	2	112.9113	1.709	3	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	114.1630	0.000	1	112.9113	1.709	3	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	116.3340	0.000	1	116.3340	0.000	1	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ni)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ni){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ni<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Ni<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	115.1840	0.887	4	114.8383	2.275	28	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ni)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ni){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ni<3>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Ni<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	115.0738	2.333	6	114.8383	2.275	28	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ni)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ni){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ni<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	115.1728	1.606	10	114.8383	2.275	28	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ni)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ni){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ni<7>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Ni<7>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	114.0708	0.534	8	114.8383	2.275	28	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	116.7650	0.474	2	116.7650	0.224	2	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	117.5560	0.000	1	117.5560	0.000	1	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HI)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<4>,1|I<1>,1|S<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HI)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	115.0320	0.000	1	115.0320	0.000	1	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]P)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]P){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|P<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,1|P<3>,4|H<1>}	113.8115	2.665	2	113.8115	7.103	2	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Pd)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Pd){2|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Pd<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|Pd<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	117.0690	0.175	2	117.0690	0.031	2	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Pd)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Pd){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Pd<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Pd<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	114.2550	3.000	2	114.2550	8.997	2	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Rh)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Rh){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	114.6505	0.067	2	114.6505	0.005	2	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Rh)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Rh){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	115.9483	0.825	4	115.9483	0.681	4	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Sb)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Sb){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Sb<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Sb<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	116.0830	2.633	2	116.0830	6.934	2	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O){3|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(N[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	115.6255	0.299	2	115.6255	0.089	2	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HO)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	115.5390	0.000	1	115.5390	0.000	1	115.7760	5.691	112	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	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	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	124.4565	0.535	2	124.4565	0.287	2	124.4565	0.287	2	115.8101	7.018	119	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.3940	0.000	1	120.3940	0.000	1	119.3580	2.147	2	119.3580	2.147	2	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	118.3220	0.000	1	118.3220	0.000	1	119.3580	2.147	2	119.3580	2.147	2	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H){6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|H<1>,4|C<3>}	120.6350	0.000	1	120.6350	0.000	1	117.8654	8.281	5	117.8654	8.281	5	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	121.2870	0.000	1	121.2870	0.000	1	117.8654	8.281	5	117.8654	8.281	5	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(COO)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(COO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	115.5800	0.822	2	115.5800	0.675	2	117.8654	8.281	5	117.8654	8.281	5	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	116.2450	0.000	1	116.2450	0.000	1	117.8654	8.281	5	117.8654	8.281	5	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[6a]-3:N[6a]-2:	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)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,3|C<4>,4|H<1>}	120.1840	0.000	1	120.1840	0.000	1	120.1840	0.000	1	120.1840	0.000	1	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C[6]-4:B[6]-3:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(B[6]N[6]H)	C[6](N[6]C[6a]B[6])(C[6]C[6]CC)(CH3)(H)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(B[6]N[6]H){3|C<3>,5|C<4>}	C[6](N[6]C[6a]B[6])(C[6]C[6]CC)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	118.0190	1.059	2	118.0190	1.122	2	118.0190	1.122	2	118.8185	1.406	6	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(CCHH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	120.7550	0.000	1	120.7550	0.000	1	119.2182	1.330	4	118.8185	1.406	6	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CBHH)(H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CBHH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	118.3910	0.000	1	118.3910	0.000	1	119.2182	1.330	4	118.8185	1.406	6	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(CC[6]HH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(CC[6]HH)(H){1|N<3>,2|C<3>,2|O<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	118.8635	0.832	2	118.8635	0.693	2	119.2182	1.330	4	118.8185	1.406	6	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:1:1:	3:3:2:	C[6a]-3:C[6]-4:P[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:N[6a]-2:	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	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)(N[6a]C[6a])	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>}	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	118.4850	0.000	1	118.4850	0.000	1	118.4850	0.000	1	117.7250	1.155	2	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:1:1:	3:3:2:	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:N[6a]-2:	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	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)(N[6a]C[6a])	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>}	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	116.9650	0.000	1	116.9650	0.000	1	116.9650	0.000	1	117.7250	1.155	2	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	119.7170	0.000	1	119.7170	0.000	1	119.7170	0.000	1	118.0540	5.204	25	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|F<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	117.7555	0.325	2	117.7555	0.105	2	117.9848	5.305	24	118.0540	5.204	25	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	118.0970	0.000	1	118.2412	0.115	5	117.9848	5.305	24	118.0540	5.204	25	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	118.2772	0.380	4	118.2412	0.115	5	117.9848	5.305	24	118.0540	5.204	25	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	114.1830	0.000	1	114.1830	0.000	1	117.9848	5.305	24	118.0540	5.204	25	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])2(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|F<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	115.9105	0.844	2	115.9105	0.712	2	117.9848	5.305	24	118.0540	5.204	25	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])2(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	118.7536	3.170	10	118.4938	7.202	14	117.9848	5.305	24	118.0540	5.204	25	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])2(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	117.8443	0.519	4	118.4938	7.202	14	117.9848	5.305	24	118.0540	5.204	25	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:4:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	117.1370	0.000	1	117.1370	0.000	1	117.1370	0.000	1	117.1370	0.000	1	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:B[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(B[6]N[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(B[6]N[6]O)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<3>,1|C<3>,2|C<4>,5|H<1>}	121.1910	0.000	1	121.1910	0.000	1	121.1910	0.000	1	121.1910	0.000	1	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]CH)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|N<2>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	121.3810	0.000	1	121.3810	0.000	1	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>,2|O<2>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(N[6]C[6]2){1|O<1>,2|C<4>,2|N<3>,4|H<1>}	122.5850	1.393	2	122.5850	1.940	2	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){2|Cl<1>,1|N<2>,2|C<4>,4|H<1>}	122.7990	0.000	1	122.7990	0.000	1	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,1|S<2>,2|C<4>,5|H<1>}	121.8680	1.391	4	122.5250	0.596	29	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	122.3925	0.517	2	122.5250	0.596	29	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	122.7937	0.379	9	122.5250	0.596	29	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	122.9397	0.605	7	122.5250	0.596	29	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<2>,2|C<4>,2|O<2>,4|H<1>}	122.1165	0.026	2	122.5250	0.596	29	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<3>,2|C<4>,2|N<2>,4|H<1>}	121.3180	0.115	2	122.5250	0.596	29	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){2|Cl<1>,1|N<2>,2|C<4>,4|H<1>}	122.9640	0.109	2	122.5250	0.596	29	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){2|Cl<1>,1|N<2>,2|C<4>,4|H<1>}	122.4490	0.000	1	122.5250	0.596	29	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	121.4160	2.219	2	121.4160	4.924	2	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	122.7013	0.771	16	122.7013	0.594	16	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	122.4525	0.431	2	120.9620	2.292	29	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	120.6875	1.578	13	120.9620	2.292	29	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	121.2510	0.880	4	120.9620	2.292	29	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	120.6252	1.254	4	120.9620	2.292	29	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<4>,2|N<2>,3|H<1>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	120.5122	2.352	4	120.9620	2.292	29	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|N<2>,3|H<1>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	122.2505	0.377	2	120.9620	2.292	29	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	122.0510	0.000	1	122.0510	0.000	1	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	120.6555	1.947	2	120.6555	3.790	2	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,1|S<2>,2|C<4>,5|H<1>}	122.1208	1.174	4	122.3861	0.998	25	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	122.7230	1.143	2	122.3861	0.998	25	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	122.6898	0.859	4	122.3861	0.998	25	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	121.9762	1.066	10	122.3861	0.998	25	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	123.0945	0.538	2	122.3861	0.998	25	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<2>,2|C<4>,2|O<2>,4|H<1>}	122.8290	0.938	2	122.3861	0.998	25	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){2|Cl<1>,1|N<2>,2|C<4>,4|H<1>}	123.3560	0.000	1	122.3861	0.998	25	122.0328	1.693	108	122.0328	1.693	108	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	122.5120	1.368	2	122.5120	1.870	2	121.3537	4.736	26	119.8584	9.276	38	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6]C[6]2){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	116.2085	0.026	2	116.2085	0.001	2	121.3537	4.736	26	119.8584	9.276	38	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	120.1455	1.426	2	121.3033	7.643	4	121.3537	4.736	26	119.8584	9.276	38	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	122.4610	3.941	2	121.3033	7.643	4	121.3537	4.736	26	119.8584	9.276	38	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	122.2740	1.776	2	122.2740	3.155	2	121.3537	4.736	26	119.8584	9.276	38	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	121.6579	0.929	8	121.5998	1.397	14	121.3537	4.736	26	119.8584	9.276	38	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	121.1022	1.451	4	121.5998	1.397	14	121.3537	4.736	26	119.8584	9.276	38	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	122.3625	1.900	2	121.5998	1.397	14	121.3537	4.736	26	119.8584	9.276	38	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|S<2>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	122.7985	3.153	2	122.7985	9.941	2	121.3537	4.736	26	119.8584	9.276	38	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-3:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	116.6710	0.071	2	116.6860	2.766	6	116.6185	3.700	12	119.8584	9.276	38	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-3:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	116.6935	2.147	4	116.6860	2.766	6	116.6185	3.700	12	119.8584	9.276	38	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-3:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(N[6]C[6]2){1|C<3>,1|O<1>,1|S<2>,2|C<4>,4|H<1>}	115.3290	1.772	2	115.3290	3.140	2	116.6185	3.700	12	119.8584	9.276	38	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-3:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	117.1620	2.529	4	117.1620	6.398	4	116.6185	3.700	12	119.8584	9.276	38	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|O<1>,2|C<4>,2|N<3>,4|H<1>}	123.3335	3.238	2	123.3335	10.484	2	120.5450	19.052	6	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	122.5860	3.745	2	122.5860	14.024	2	120.5450	19.052	6	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(N[6]C[6]2)	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2{1|N<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(N[6]C[6]2){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	115.7155	0.470	2	115.7155	0.221	2	120.5450	19.052	6	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|C<2>,3|C<3>,3|C<4>,4|H<1>}	115.1560	0.698	4	116.6385	3.709	10	116.5542	3.233	12	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	116.8070	1.648	4	116.6385	3.709	10	116.5542	3.233	12	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	119.2665	1.026	2	116.6385	3.709	10	116.5542	3.233	12	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	116.1325	1.324	2	116.1325	1.754	2	116.5542	3.233	12	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	123.0090	2.319	4	123.0090	5.377	4	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,2|C<4>,5|H<1>}	123.2330	3.352	2	122.2522	4.550	14	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	124.0320	1.393	2	122.2522	4.550	14	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	122.7675	1.271	2	122.2522	4.550	14	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	121.4333	2.077	8	122.2522	4.550	14	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,3|C<4>,4|H<1>}	119.9550	1.365	2	122.1991	1.989	12	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	122.4580	0.256	2	122.1991	1.989	12	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|Cl<1>,1|N<2>,1|S<2>,2|C<4>,4|H<1>}	121.9975	0.723	2	122.1991	1.989	12	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	122.3000	1.047	2	122.1991	1.989	12	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	123.4430	1.079	2	122.1991	1.989	12	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	123.0410	1.533	2	122.1991	1.989	12	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	122.3610	1.498	2	122.6290	1.650	4	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	122.8970	1.556	2	122.6290	1.650	4	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	122.4326	1.793	8	120.6950	6.186	26	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	120.1534	2.647	14	120.6950	6.186	26	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	118.4500	1.020	2	120.6950	6.186	26	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	119.7805	0.163	2	120.6950	6.186	26	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	118.7665	0.916	2	118.8918	1.319	4	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	119.0170	1.748	2	118.8918	1.319	4	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	121.6400	1.454	2	120.3640	11.814	6	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	116.2065	0.057	2	120.3640	11.814	6	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	123.2455	1.587	2	120.3640	11.814	6	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|Cl<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	116.6800	0.042	2	116.6800	0.002	2	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	123.4395	1.600	2	121.6066	5.018	8	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	122.2800	0.681	4	121.6066	5.018	8	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	118.4270	1.556	2	121.6066	5.018	8	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	118.1345	1.416	2	118.1345	2.006	2	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	123.1557	2.557	4	123.1557	6.538	4	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	120.6250	2.205	2	120.6250	4.861	2	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	115.3620	0.000	1	115.3620	0.000	1	121.2136	6.515	89	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	122.1470	3.022	4	122.1470	9.134	4	122.1470	9.134	4	120.7074	8.816	111	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{2|C<3>,2|C<4>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|N<3>,3|C<3>,3|C<4>,4|H<1>}	112.9665	0.241	2	112.9665	0.058	2	112.9665	0.058	2	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	115.3000	1.906	2	115.3000	3.634	2	117.0396	20.842	14	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<2>,1|S<2>,2|C<4>,5|H<1>}	114.9825	0.049	2	114.9825	0.002	2	117.0396	20.842	14	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	113.2233	1.760	4	113.2233	3.096	4	117.0396	20.842	14	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<2>,1|O<2>,2|C<4>,5|H<1>}	123.3600	2.735	4	123.3600	7.479	4	117.0396	20.842	14	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	115.8280	0.298	2	115.8280	0.089	2	117.0396	20.842	14	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	117.7125	4.181	2	117.7125	17.482	2	119.5398	11.844	32	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	115.4460	0.837	2	115.4460	0.701	2	119.5398	11.844	32	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]2)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|C<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]2){1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,6|H<1>}	122.0465	1.142	2	122.0465	1.304	2	119.5398	11.844	32	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	121.6071	2.715	16	121.3819	7.014	18	119.5398	11.844	32	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,1|N<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	119.5810	1.165	2	121.3819	7.014	18	119.5398	11.844	32	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,3|C<4>,6|H<1>}	116.3505	2.597	2	116.3505	6.745	2	119.5398	11.844	32	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|N<3>,2|C<4>,3|C<3>,4|H<1>}	117.1545	1.483	2	116.2145	4.230	6	119.5398	11.844	32	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	116.9890	1.105	2	116.2145	4.230	6	119.5398	11.844	32	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	114.5000	2.981	2	116.2145	4.230	6	119.5398	11.844	32	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6]2){1|N<2>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	122.4838	1.473	8	122.4838	2.170	8	122.4838	2.170	8	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)2{1|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[6]C[6]2){2|C<4>,5|C<3>,6|H<1>}	117.7790	0.188	4	117.7790	0.035	4	117.7790	0.035	4	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	115.9900	1.057	10	115.9900	1.117	10	116.1679	6.549	50	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(N[6]C[6]2){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	113.9855	2.118	4	113.9855	4.484	4	116.1679	6.549	50	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	114.7066	1.379	12	114.7066	1.902	12	116.1679	6.549	50	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	119.0605	0.832	2	119.0605	0.693	2	116.1679	6.549	50	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	114.5570	2.042	2	114.5570	4.170	2	116.1679	6.549	50	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(N[6]C[6]2){1|O<2>,2|C<3>,2|C<4>,2|N<2>,6|H<1>}	119.9965	1.004	4	119.9965	1.008	4	116.1679	6.549	50	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	115.8505	1.130	6	115.8505	1.278	6	116.1679	6.549	50	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,5|H<1>}	114.2365	1.046	2	114.2365	1.094	2	116.1679	6.549	50	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	117.3070	1.313	4	117.3070	1.725	4	116.1679	6.549	50	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6]C[6]2){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	115.0855	3.142	2	115.0855	9.870	2	116.1679	6.549	50	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|S<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	122.9380	3.636	2	122.9380	13.220	2	116.1679	6.549	50	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<3>,1|C<3>,2|C<4>,5|H<1>}	116.3950	0.000	1	116.3950	0.000	1	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	113.8660	1.984	2	113.8660	3.937	2	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	117.4615	1.449	2	117.4615	2.099	2	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	122.5997	1.536	18	122.5997	2.360	18	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2){3|C<3>,3|C<4>,5|H<1>}	118.8010	2.480	4	118.8010	6.151	4	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|B<4>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|H<2>,1|N<4>,2|C<4>,7|H<1>}	114.7512	1.740	4	114.7512	3.028	4	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|F<1>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	118.4705	0.374	2	118.4705	0.140	2	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.5900	0.314	2	116.2809	4.502	12	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	115.2390	0.851	2	116.2809	4.502	12	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,4|H<1>}	117.3958	1.985	6	116.2809	4.502	12	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	113.6690	2.350	2	116.2809	4.502	12	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	117.1870	4.725	6	117.1870	22.325	6	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]F)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]F)2(N[6]C[6]2){1|C<3>,2|C<4>,2|F<1>,4|H<1>}	119.6873	3.432	4	119.6873	11.780	4	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	123.8670	0.112	2	119.7955	8.536	19	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	119.3184	3.148	12	119.7955	8.536	19	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	121.2550	0.000	1	119.7955	8.536	19	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	118.1080	0.068	2	119.7955	8.536	19	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	120.1590	0.000	1	119.7955	8.536	19	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{3|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	118.9300	0.000	1	119.7955	8.536	19	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	122.3115	2.489	6	122.3115	6.194	6	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	121.7365	1.015	2	121.7365	1.030	2	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,2|F<1>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	115.3710	0.000	1	121.2375	3.406	15	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	121.5600	0.756	6	121.2375	3.406	15	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	121.7289	1.059	8	121.2375	3.406	15	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	116.3435	1.535	2	117.1723	6.471	8	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	116.0875	2.509	4	117.1723	6.471	8	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	120.1705	0.052	2	117.1723	6.471	8	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|F<1>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	120.4120	2.471	2	120.4120	6.104	2	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	117.1012	3.233	16	117.5069	9.110	36	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	117.4911	1.121	12	117.5069	9.110	36	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	116.1378	1.374	6	117.5069	9.110	36	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	124.9545	3.736	2	117.5069	9.110	36	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,2|F<1>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	115.1500	0.000	1	120.0287	19.977	3	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|F<1>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	122.4680	2.062	2	120.0287	19.977	3	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	117.6910	0.160	2	118.1444	7.476	70	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	117.6180	0.240	2	118.1444	7.476	70	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	118.4126	2.624	8	118.1444	7.476	70	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	117.6557	2.501	44	118.1444	7.476	70	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	119.6671	3.443	14	118.1444	7.476	70	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	123.3575	1.402	2	116.4333	9.305	20	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	115.5421	2.333	8	116.4333	9.305	20	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	115.7620	1.358	2	116.4333	9.305	20	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	113.6730	2.140	2	116.4333	9.305	20	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	115.5195	1.265	2	116.4333	9.305	20	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<2>,1|C<3>,2|C<4>,5|H<1>}	116.9262	1.599	4	116.4333	9.305	20	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	115.3565	2.976	2	115.7101	2.981	28	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	114.8015	1.562	2	115.7101	2.981	28	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	115.4040	1.950	2	115.7101	2.981	28	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	115.9914	1.694	14	115.7101	2.981	28	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	115.6099	1.883	8	115.7101	2.981	28	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	115.4323	0.693	6	115.4323	0.480	6	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	115.5198	1.543	8	115.2662	1.849	36	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	115.5225	0.764	8	115.2662	1.849	36	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	114.7696	1.833	12	115.2662	1.849	36	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	115.5015	0.604	8	115.2662	1.849	36	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|S<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	113.7695	1.399	6	113.7695	1.958	6	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	117.1700	1.056	2	117.1700	1.116	2	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	115.5472	1.229	4	117.5078	7.429	98	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	118.8844	3.263	44	117.5078	7.429	98	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	117.8765	0.644	2	117.5078	7.429	98	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	118.2525	0.445	2	117.5078	7.429	98	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	116.5811	1.355	26	117.5078	7.429	98	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	115.7993	1.468	18	117.5078	7.429	98	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	117.4525	0.054	2	117.5078	7.429	98	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]C)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]C)(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	114.7985	0.559	2	114.7985	0.313	2	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	116.9770	0.745	2	116.9770	0.555	2	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|B<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	113.8015	2.057	2	113.8015	4.231	2	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	115.8755	2.222	2	114.9069	3.968	12	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	112.6885	0.008	2	114.9069	3.968	12	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	112.5655	0.131	2	114.9069	3.968	12	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	115.4740	0.938	4	114.9069	3.968	12	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|N<2>,2|C<4>,6|H<1>}	117.3640	0.058	2	114.9069	3.968	12	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	122.5895	0.467	2	122.5895	0.218	2	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	115.8250	0.509	2	115.8250	0.259	2	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(N[6]C[6]2){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	121.4685	1.935	2	119.9736	5.761	10	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,1|I<1>,1|N<3>,2|C<4>,4|H<1>}	119.5999	2.465	8	119.9736	5.761	10	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	115.9015	0.599	2	115.3885	1.986	6	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	116.0930	0.296	2	115.3885	1.986	6	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	114.1710	2.236	2	115.3885	1.986	6	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|O<2>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	115.5315	2.364	2	115.5315	5.588	2	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	120.9800	2.877	2	120.9800	8.274	2	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|S<2>,2|C<4>,5|H<1>}	118.2080	1.073	2	116.8810	2.330	15	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	116.6768	1.511	13	116.8810	2.330	15	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	121.1433	4.396	12	121.1433	19.321	12	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|S<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	114.7750	0.820	8	114.7750	0.672	8	117.6389	10.041	489	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-3:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	115.3797	0.644	3	115.3797	0.415	3	115.4958	3.655	6	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-3:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	115.6120	2.947	3	115.6120	8.682	3	115.4958	3.655	6	117.6323	10.564	605	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:2:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HO)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HO)2{1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	121.1815	0.135	2	121.1815	0.018	2	121.1815	0.018	2	121.1815	0.018	2	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:4:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:C-4:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]CH)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	121.7290	0.000	1	121.7290	0.000	1	121.7290	0.000	1	121.7290	0.000	1	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|B<3>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|H<1>,6|C<4>}	116.5820	1.236	2	116.5820	1.528	2	116.5820	1.528	2	116.5820	1.528	2	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](C[6]C[6a]N[6]H)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6a]C[6])(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	122.8620	0.376	2	122.8620	0.142	2	122.8620	0.142	2	122.8620	0.142	2	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:2:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	C[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	114.2510	0.000	1	114.2510	0.000	1	114.2510	0.000	1	114.2510	0.000	1	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:Ge[6]-2:	C[6,6]-3:N[6]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(Ge[6]N[6])	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)(H)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(Ge[6]N[6]){3|C<4>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	114.1520	0.000	1	114.1520	0.000	1	114.1520	0.000	1	115.7110	12.876	4	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-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)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	121.0870	0.000	1	121.0870	0.000	1	121.0870	0.000	1	115.7110	12.876	4	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	C[5a,6]-3:N[6]-3:C-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(CCH)(H)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(CCH)(H){1|C<4>,1|N<3>,4|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	113.7280	0.000	1	113.7280	0.000	1	113.7280	0.000	1	115.7110	12.876	4	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|O<2>,3|H<1>,6|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	113.8770	0.000	1	113.8770	0.000	1	113.8770	0.000	1	115.7110	12.876	4	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-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)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	121.8940	0.000	1	121.8997	0.028	3	121.8498	0.029	4	120.4577	9.229	6	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-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)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	121.9025	0.238	2	121.8997	0.028	3	121.8498	0.029	4	120.4577	9.229	6	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-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)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	121.7000	0.000	1	121.7000	0.000	1	121.8498	0.029	4	120.4577	9.229	6	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	114.2970	0.000	1	114.2970	0.000	1	117.6735	22.802	2	120.4577	9.229	6	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	121.0500	0.000	1	121.0500	0.000	1	117.6735	22.802	2	120.4577	9.229	6	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]N){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	116.8160	0.000	1	116.8160	0.000	1	117.9222	0.694	21	117.8697	0.662	23	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	117.3795	0.045	2	117.3795	0.002	2	117.9222	0.694	21	117.8697	0.662	23	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<2>,2|C<3>,5|H<1>}	118.3785	0.245	4	118.3785	0.060	4	117.9222	0.694	21	117.8697	0.662	23	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	117.3815	0.329	2	117.3815	0.108	2	117.9222	0.694	21	117.8697	0.662	23	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	118.0428	0.962	12	118.0428	0.926	12	117.9222	0.694	21	117.8697	0.662	23	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(Cl)(H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])2(Cl)(H){1|C<4>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	117.3180	0.078	2	117.3180	0.006	2	117.3180	0.006	2	117.8697	0.662	23	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(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]C[6])(CC)(H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<2>,1|N<2>,3|C<3>,3|H<1>}	119.5605	0.052	2	119.5605	0.003	2	119.5605	0.003	2	117.5252	3.228	15	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,1|S<2>,3|C<3>,3|H<1>}	117.8070	0.000	1	117.6859	0.530	8	117.6859	0.530	8	117.5252	3.228	15	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,1|S<2>,3|C<3>,3|H<1>}	117.5590	0.000	1	117.6859	0.530	8	117.6859	0.530	8	117.5252	3.228	15	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,1|S<2>,3|C<3>,3|H<1>}	117.6868	0.858	6	117.6859	0.530	8	117.6859	0.530	8	117.5252	3.228	15	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	120.5680	0.000	1	120.5680	0.000	1	120.5680	0.000	1	117.5252	3.228	15	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6])(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	115.4255	1.425	4	115.4255	2.030	4	115.4255	2.030	4	117.5252	3.228	15	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:2:4:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:O[6]-2:C-4:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6]O[6]C)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]2)(O[6]C[6])(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2)	N[6](C[6]C[6]O[6]C)(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,1|S<2>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]2)(O[6]C[6])(CCHH){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	122.1280	0.000	1	122.1280	0.000	1	122.1280	0.000	1	122.1280	0.000	1	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(N[6]C[6,6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<2>,3|H<1>,5|C<3>}	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(N[6]C[6,6a]H)(H){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	117.6500	0.000	1	117.6500	0.000	1	117.6500	0.000	1	118.4405	7.109	41	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|N<2>,1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,5|C<3>}	121.3050	0.000	1	121.3050	0.000	1	120.5615	1.106	2	118.4405	7.109	41	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|N<2>,1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<2>,3|H<1>,4|C<3>}	119.8180	0.000	1	119.8180	0.000	1	120.5615	1.106	2	118.4405	7.109	41	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]HN)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NCH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]HN)(C[6]C[6a]N[6])(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]C[6])(NCH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	118.8375	1.870	2	118.8375	3.498	2	118.8375	3.498	2	118.4405	7.109	41	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,3|H<1>,4|C<3>}	115.6860	0.000	1	115.6860	0.000	1	115.6860	0.000	1	118.4405	7.109	41	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|N<3>,3|C<3>,4|H<1>}	115.9910	0.000	1	115.9910	0.000	1	116.1443	2.149	3	118.4405	7.109	41	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Pd)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Pd)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|Pd<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	116.2210	2.065	2	116.2210	4.263	2	116.1443	2.149	3	118.4405	7.109	41	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	N[6]-3:S[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(S[6]C[6,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(S[6]C[6,6a]O)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,1|S<3>,3|C<3>,3|H<1>}	118.3190	0.000	1	118.3190	0.000	1	118.3190	0.000	1	118.4405	7.109	41	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	B[6,6]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]B[6,6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](B[6,6]C[6,6]2)(N[6]C[6a]C[6])2(H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6]B[6,6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,6|C<4>}	C[6](B[6,6]C[6,6]2)(N[6]C[6a]C[6])2(H){2|H<1>,2|O<1>,4|C<3>,5|C<4>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<3>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	120.3480	0.284	2	120.3480	0.081	2	120.3480	0.081	2	118.4405	7.109	41	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,5|C<3>}	120.5600	0.000	1	118.8410	5.910	2	118.8410	5.910	2	118.4405	7.109	41	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,5|C<3>}	117.1220	0.000	1	118.8410	5.910	2	118.8410	5.910	2	118.4405	7.109	41	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){4|C<3>,4|H<1>}	113.0520	0.000	1	113.0520	0.000	1	113.0520	0.000	1	118.4405	7.109	41	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[5a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5a]N[5a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]O[6]O){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5a]N[5a]2)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	115.8410	0.402	3	115.8410	0.162	3	115.8410	0.162	3	118.4405	7.109	41	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<2>,3|C<3>,4|H<1>}	118.3860	0.000	1	118.3860	0.000	1	118.3860	0.000	1	118.4405	7.109	41	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]C[6]Cr)(H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|Cr<6>,1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]C[6]Cr)(H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	124.0840	0.000	1	124.0840	0.000	1	124.0840	0.000	1	118.4405	7.109	41	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,3|H<1>,4|C<3>}	120.4890	0.000	1	120.4890	0.000	1	117.8205	14.242	2	118.4405	7.109	41	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	115.1520	0.000	1	115.1520	0.000	1	117.8205	14.242	2	118.4405	7.109	41	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:S[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6]O)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,1|S<3>,2|C<3>,3|H<1>}	113.9605	1.184	2	113.9840	0.703	3	113.9840	0.703	3	118.4405	7.109	41	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:S[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6]O)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,1|S<3>,2|C<3>,3|H<1>}	114.0310	0.000	1	113.9840	0.703	3	113.9840	0.703	3	118.4405	7.109	41	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:B[5]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]B[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(B[5]O[5]2)(H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6]B[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){2|O<2>,4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])2(B[5]O[5]2)(H){2|O<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<3>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	118.8645	0.817	2	118.8645	0.667	2	118.8645	0.667	2	118.4405	7.109	41	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,3|H<1>,4|C<3>}	120.3804	1.015	13	120.3804	1.031	13	120.0308	2.662	14	118.4405	7.109	41	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	115.4860	0.000	1	115.4860	0.000	1	120.0308	2.662	14	118.4405	7.109	41	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN[6]O)(OH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN[6]O)(OH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	119.5195	0.240	2	119.5195	0.057	2	119.5195	0.057	2	119.5195	0.057	2	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,8|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H){5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,5|C<3>}	123.4015	0.561	2	123.4015	0.314	2	123.4015	0.314	2	121.9995	3.724	4	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:B[5]-3:B[5]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]B[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(B[5]O[5]2)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6]B[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,4|C<4>,4|O<2>}	C[6](N[6]C[6a]C[6])2(B[5]O[5]2)2{2|O<1>,4|C<3>,5|C<4>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|B<3>,2|H<1>}	120.5975	1.730	2	120.5975	2.994	2	120.5975	2.994	2	121.9995	3.724	4	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|Cl<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,3|H<1>,4|C<3>}	117.2540	0.000	1	117.2540	0.000	1	118.0600	1.299	2	116.9451	2.263	19	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(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]C[6])(CCHH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	118.8660	0.000	1	118.8660	0.000	1	118.0600	1.299	2	116.9451	2.263	19	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[5a]-3:N[6]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|O<2>,4|H<1>,5|C<3>}	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<4>,3|C<3>,3|H<1>}	115.8520	0.000	1	115.8520	0.000	1	115.8520	0.000	1	116.9451	2.263	19	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	117.8905	2.262	2	117.8905	5.117	2	117.1708	2.812	6	116.9451	2.263	19	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,3|H<1>}	116.8973	1.910	3	116.8973	3.650	3	117.1708	2.812	6	116.9451	2.263	19	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]O){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	116.5520	0.000	1	116.5520	0.000	1	117.1708	2.812	6	116.9451	2.263	19	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	120.2610	0.000	1	120.2610	0.000	1	116.6960	2.308	10	116.9451	2.263	19	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	115.6325	0.996	2	116.2022	1.102	6	116.6960	2.308	10	116.9451	2.263	19	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	116.3490	0.000	1	116.2022	1.102	6	116.6960	2.308	10	116.9451	2.263	19	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	115.3430	0.000	1	116.2022	1.102	6	116.6960	2.308	10	116.9451	2.263	19	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){4|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	117.1280	1.181	2	116.2022	1.102	6	116.6960	2.308	10	116.9451	2.263	19	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<4>,5|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	116.6870	0.000	1	116.6870	0.000	1	116.6960	2.308	10	116.9451	2.263	19	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,5|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	117.0760	0.000	1	117.0760	0.000	1	116.6960	2.308	10	116.9451	2.263	19	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]S[6]N)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]S[6]N){4|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<2>,1|S<2>,2|C<3>,3|H<1>}	115.7230	0.000	1	115.7230	0.000	1	116.6960	2.308	10	116.9451	2.263	19	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H){4|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<4>,3|C<3>,3|H<1>}	120.8870	0.000	1	120.8870	0.000	1	120.8870	0.000	1	120.8870	0.000	1	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:4:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(Cl)(H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O){2|C<3>,7|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(Cl)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.4960	0.000	1	118.4960	0.000	1	118.4960	0.000	1	118.4960	0.000	1	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){2|H<1>,3|C<4>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	115.2310	0.000	1	115.2310	0.000	1	116.0023	0.583	3	116.0023	0.583	3	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	116.0180	0.000	1	116.0180	0.000	1	116.0023	0.583	3	116.0023	0.583	3	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	116.7580	0.000	1	116.7580	0.000	1	116.0023	0.583	3	116.0023	0.583	3	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:4:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[5]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[5]C[5]2Fe)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O){1|Fe<10>,3|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[5]C[5]2Fe)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	118.5257	0.581	3	118.5257	0.338	3	118.5257	0.338	3	118.5257	0.338	3	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]Br)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]Br)(N[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	115.1330	0.000	1	115.1330	0.000	1	115.4355	0.183	2	117.6623	3.460	6	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	115.7380	0.000	1	115.7380	0.000	1	115.4355	0.183	2	117.6623	3.460	6	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6a]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	119.3400	0.000	1	119.3400	0.000	1	119.3400	0.000	1	117.6623	3.460	6	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6]C[6]O[6]2)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6]C[6]O[6]2)(N[6]C[6a]C[6])(H)2{2|C<3>,2|O<1>,3|C<4>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	119.0630	0.680	2	118.5877	0.909	3	118.5877	0.909	3	117.6623	3.460	6	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6]C[6]O[6]2)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){2|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6]O[6]2)(N[6]C[6a]C[6])(H)2{2|C<3>,2|O<1>,3|C<4>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	117.6370	0.000	1	118.5877	0.909	3	118.5877	0.909	3	117.6623	3.460	6	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:N[6]-3:C[5a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2)	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[5a]C[5a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[5a]C[5a]2)(H){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	117.0220	0.000	1	117.0220	0.000	1	117.0220	0.000	1	116.2802	0.543	9	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2)	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	116.2225	0.216	2	116.2225	0.047	2	116.1987	0.025	3	116.2802	0.543	9	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6](C[6]C[6,6a]CF)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|F<1>,2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]CF)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	116.1510	0.000	1	116.1510	0.000	1	116.1987	0.025	3	116.2802	0.543	9	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(COO)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(COO)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	116.0060	0.000	1	116.0060	0.000	1	116.0060	0.000	1	116.2802	0.543	9	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(COO)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	114.7170	0.000	1	114.7170	0.000	1	114.7170	0.000	1	116.2802	0.543	9	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,5|C<3>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	116.7270	0.552	3	116.7270	0.305	3	116.7270	0.305	3	116.2802	0.543	9	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:2:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:O[6]-2:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<2>,2|C<3>,6|H<1>}	117.5335	0.356	2	117.5335	0.127	2	117.5335	0.127	2	117.5335	0.127	2	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:O[6]-2:C-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]CH)	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(COO)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]CH){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(COO)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<2>,4|C<3>,4|H<1>}	118.0040	0.000	1	118.0040	0.000	1	118.0040	0.000	1	118.0040	0.000	1	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:2:4:3:	3:3:3:	C[3,6]-4:C[6a]-3:C[6]-4:	N[6]-3:N[6]-2:C-4:C-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC)	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO)	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]H)2	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|C<4>,3|H<1>}	125.5270	0.000	1	125.5270	0.000	1	125.5270	0.000	1	125.5270	0.000	1	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:1:1:	3:3:2:	P[6,6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:N[6a]-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	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	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>}	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|N<2>,3|H<1>}	116.3290	0.000	1	117.0845	1.142	2	116.5737	0.845	4	116.5737	0.845	4	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:1:1:	3:3:2:	P[6,6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:N[6a]-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	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	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>}	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<2>}	117.8400	0.000	1	117.0845	1.142	2	116.5737	0.845	4	116.5737	0.845	4	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:1:1:	3:3:2:	P[6,6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:N[6a]-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	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	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>}	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|N<2>,3|H<1>}	116.0630	0.591	2	116.0630	0.349	2	116.5737	0.845	4	116.5737	0.845	4	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]CH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]CH){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	116.8790	0.000	1	116.8790	0.000	1	116.4915	0.300	2	117.1372	1.709	16	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,2|C<3>,6|H<1>}	116.1040	0.000	1	116.1040	0.000	1	116.4915	0.300	2	117.1372	1.709	16	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	118.1780	0.000	1	118.1780	0.000	1	117.2968	0.858	4	117.1372	1.709	16	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|C<3>,6|H<1>}	117.5070	0.000	1	117.5070	0.000	1	117.2968	0.858	4	117.1372	1.709	16	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<2>,2|C<3>,6|H<1>}	116.7510	1.076	2	116.7510	1.158	2	117.2968	0.858	4	117.1372	1.709	16	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,7|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,3|C<3>,5|H<1>}	117.4053	1.356	6	117.4053	1.838	6	117.4053	1.838	6	117.1372	1.709	16	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,2|C<3>,6|H<1>}	114.3720	0.000	1	114.3720	0.000	1	116.4253	4.646	3	117.1372	1.709	16	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](N[6]C[6a]C[6])2(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){2|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])2(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	117.4520	1.723	2	117.4520	2.967	2	116.4253	4.646	3	117.1372	1.709	16	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:P[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	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	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)2	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>}	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)2{1|Cl<1>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	118.3180	0.000	1	118.3180	0.000	1	118.3180	0.000	1	117.1372	1.709	16	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:2:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){1|I<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	112.0340	0.000	1	112.0340	0.000	1	112.7497	0.483	3	112.7497	0.483	3	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:2:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	113.1075	0.445	2	113.1075	0.198	2	112.7497	0.483	3	112.7497	0.483	3	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(COO)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]CH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(COO)(H){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<2>,4|C<3>,4|H<1>}	112.1600	0.000	1	112.1600	0.000	1	112.1600	0.000	1	116.3764	10.801	19	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	113.4070	0.000	1	113.4120	0.000	2	117.3702	11.421	12	116.3764	10.801	19	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	113.4170	0.000	1	113.4120	0.000	2	117.3702	11.421	12	116.3764	10.801	19	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	118.7180	0.000	1	118.1618	9.781	10	117.3702	11.421	12	116.3764	10.801	19	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|F<1>,3|C<3>,3|H<1>}	119.7770	0.817	4	118.1618	9.781	10	117.3702	11.421	12	116.3764	10.801	19	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	111.9800	0.000	1	118.1618	9.781	10	117.3702	11.421	12	116.3764	10.801	19	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,2|F<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|F<1>,3|C<3>,3|H<1>}	118.9130	0.000	1	118.1618	9.781	10	117.3702	11.421	12	116.3764	10.801	19	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	117.6330	4.223	3	118.1618	9.781	10	117.3702	11.421	12	116.3764	10.801	19	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,7|C<3>}	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,3|C<3>,5|H<1>}	115.0917	2.419	6	115.0917	5.850	6	115.0917	5.850	6	116.3764	10.801	19	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[5a]-3:N[6]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,4|C<3>,6|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<4>,3|C<3>,4|H<1>}	117.0340	0.000	1	117.0340	0.000	1	117.0340	0.000	1	118.3541	8.239	9	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCFF)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCFF)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	119.6550	0.000	1	119.6550	0.000	1	120.0435	3.803	4	118.3541	8.239	9	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[5a]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	117.5930	0.000	1	117.5930	0.000	1	120.0435	3.803	4	118.3541	8.239	9	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	121.4630	1.106	2	121.4630	1.223	2	120.0435	3.803	4	118.3541	8.239	9	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](N[6]C[6a]C[6])(C[6]N[3,6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[3,6]O)(CC[6a]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<4>,3|C<3>,4|H<1>}	120.3340	0.000	1	120.3340	0.000	1	120.3340	0.000	1	118.3541	8.239	9	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	118.1650	0.000	1	118.1650	0.000	1	117.6390	0.553	2	118.3541	8.239	9	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	117.1130	0.000	1	117.1130	0.000	1	117.6390	0.553	2	118.3541	8.239	9	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]CH)	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]CH){2|H<1>,5|C<3>}	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	112.3670	0.000	1	112.3670	0.000	1	112.3670	0.000	1	118.3541	8.239	9	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[6,6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	115.9900	0.000	1	115.9900	0.000	1	115.9900	0.000	1	116.3740	3.184	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){2|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	117.6405	3.738	2	117.6405	13.976	2	117.6405	13.976	2	116.3740	3.184	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]N[5,6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	115.0080	0.000	1	115.0080	0.000	1	115.9442	1.008	5	116.3740	3.184	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	115.7530	0.000	1	115.7530	0.000	1	115.9442	1.008	5	116.3740	3.184	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|O<2>,3|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	115.6500	0.000	2	115.6500	0.000	2	115.9442	1.008	5	116.3740	3.184	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]O[6]HO)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	117.6600	0.000	1	117.6600	0.000	1	115.9442	1.008	5	116.3740	3.184	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	117.1230	0.000	1	117.1230	0.000	1	118.1485	2.103	2	117.6722	10.051	5	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	119.1740	0.000	1	119.1740	0.000	1	118.1485	2.103	2	117.6722	10.051	5	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6a]C[6])(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,5|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6a]C[6])(H){2|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	120.8740	0.000	1	120.8740	0.000	1	120.8740	0.000	1	117.6722	10.051	5	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,4|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<4>,3|C<3>,4|H<1>}	112.5320	0.000	1	112.5320	0.000	1	112.5320	0.000	1	117.6722	10.051	5	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:4:3:1:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Si[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	N[6](Si[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]2H){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]N[6]H)(C[6]C[6]H)(H){1|Cl<1>,1|Si<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	118.6580	0.000	1	118.6580	0.000	1	118.6580	0.000	1	117.6722	10.051	5	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH){1|N<3>,2|C<4>,3|C<3>,8|H<1>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,3|C<3>,3|C<4>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	118.4970	0.000	1	118.4970	0.000	1	118.4970	0.000	1	115.9617	4.821	3	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:4:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH){2|O<2>,3|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	114.6940	0.000	2	114.6940	0.000	2	114.6940	0.000	2	115.9617	4.821	3	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	116.7930	0.000	1	116.7930	0.000	1	116.7930	0.000	1	117.7768	5.234	25	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){1|I<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<2>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	117.1330	0.000	1	117.1330	0.000	1	117.8178	5.417	24	117.7768	5.234	25	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<2>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	115.9880	0.400	2	117.1673	4.166	6	117.8178	5.417	24	117.7768	5.234	25	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	117.7570	2.345	4	117.1673	4.166	6	117.8178	5.417	24	117.7768	5.234	25	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	119.8280	0.000	1	118.6390	2.827	2	117.8178	5.417	24	117.7768	5.234	25	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,4|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	117.4500	0.000	1	118.6390	2.827	2	117.8178	5.417	24	117.7768	5.234	25	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,5|C<3>,5|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	116.9580	0.000	1	116.9580	0.000	1	117.8178	5.417	24	117.7768	5.234	25	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	115.2650	0.000	1	115.2695	0.000	2	117.8178	5.417	24	117.7768	5.234	25	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	115.2740	0.000	1	115.2695	0.000	2	117.8178	5.417	24	117.7768	5.234	25	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	120.3750	0.000	1	118.4582	7.972	10	117.8178	5.417	24	117.7768	5.234	25	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|F<1>,3|C<3>,3|H<1>}	119.5446	0.621	5	118.4582	7.972	10	117.8178	5.417	24	117.7768	5.234	25	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	116.6210	3.964	4	118.4582	7.972	10	117.8178	5.417	24	117.7768	5.234	25	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]C[6a]O)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]O)(N[6]C[6a]C[6])(H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|C<3>,6|H<1>}	117.6730	0.000	1	117.6730	0.000	1	117.8178	5.417	24	117.7768	5.234	25	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	120.4610	0.000	1	120.4610	0.000	1	117.8178	5.417	24	117.7768	5.234	25	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[3,6]-4:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[3,6]N[3,6]C[3]H)(N[6]C[6a]C[6])(CNO)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[3,6]N[3,6]C[3]H)(N[6]C[6a]C[6])(CNO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<4>,3|C<3>,4|H<1>}	119.3960	0.000	1	119.3960	0.000	1	119.3960	0.000	1	115.2876	5.911	5	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH){2|O<2>,3|H<1>,6|C<3>}	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	115.0580	0.000	2	115.0580	0.000	2	114.2605	0.848	4	115.2876	5.911	5	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|O<2>,3|H<1>,6|C<3>}	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	113.4630	0.000	2	113.4630	0.000	2	114.2605	0.848	4	115.2876	5.911	5	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:4:3:	3:3:1:1:	3:3:3:	C[5,6]-4:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	113.6900	0.000	1	113.6900	0.000	1	113.6900	0.000	1	116.5066	24.838	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:4:3:	3:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C[6a]-3:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]N[5,6]HH)2(C[6a]C[6a]2)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]N[5,6]HH)2(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6a]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	118.2565	6.476	4	118.2565	41.937	4	118.2565	41.937	4	116.5066	24.838	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:4:3:	3:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C[6a]-3:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]N[6,6]HH)2(C[6a]C[6a]2)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]N[6,6]HH)2(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{2|C<3>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,6|H<1>}	113.2115	0.605	2	113.2115	0.366	2	113.2115	0.366	2	116.5066	24.838	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:4:3:	3:3:1:1:	3:3:3:	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:C[6a]-3:	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	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)2	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>}	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)2{1|O<2>,1|S<1>,3|C<3>,4|H<1>}	118.9140	0.000	1	118.9140	0.000	1	118.9140	0.000	1	116.5066	24.838	8	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:4:3:	3:3:2:1:	3:3:3:	C[6]-4:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-2:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6])(H){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<2>,4|C<3>,4|H<1>}	119.0260	0.000	1	119.0260	0.000	1	119.0260	0.000	1	118.3275	0.976	2	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:4:3:	3:3:2:1:	3:3:3:	Si[6]-4:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C-2:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CN)(H)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CN)(H){1|H<1>,2|O<2>,5|C<3>}	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|O<2>,3|C<3>,3|H<1>}	117.6290	0.000	1	117.6290	0.000	1	117.6290	0.000	1	118.3275	0.976	2	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:4:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<2>,1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<2>,4|C<3>,4|H<1>}	118.7470	0.000	1	120.3275	1.344	11	120.3275	1.344	11	120.3558	1.232	12	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:4:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,4|C<3>,4|H<1>}	120.4856	1.090	10	120.3275	1.344	11	120.3275	1.344	11	120.3558	1.232	12	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:4:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-4:C[6a]-3:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	120.6670	0.000	1	120.6670	0.000	1	120.6670	0.000	1	120.3558	1.232	12	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	127.4440	0.000	1	127.4440	0.000	1	120.3631	3.220	19	120.1882	3.662	20	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){2|C<4>,5|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<4>,3|C<3>,4|H<1>}	119.6490	0.368	4	119.6490	0.136	4	120.3631	3.220	19	120.1882	3.662	20	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){2|C<4>,5|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<4>,3|C<3>,4|H<1>}	120.0450	0.790	4	120.0613	0.316	14	120.3631	3.220	19	120.1882	3.662	20	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,4|C<3>,4|H<1>}	120.0678	0.498	10	120.0613	0.316	14	120.3631	3.220	19	120.1882	3.662	20	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	Si[6]-4:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CCHH)(H)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CCHH)(H){1|H<1>,2|O<2>,5|C<3>}	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	116.8670	0.000	1	116.8670	0.000	1	116.8670	0.000	1	120.1882	3.662	20	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	5:4:3:	3:3:1:1:	3:3:3:	Nb[3x6]-5:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Nb[3x6]P[3x6]N[6]2N)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[3x6]C[6a])(H)2	C[6a](N[6]Nb[3x6]C[6])(C[6a]C[6a]H)2	N[6](Nb[3x6]P[3x6]N[6]2N)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|C<4>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[3x6]C[6a])(H)2{1|H<1>,1|N<2>,1|P<4>,2|N<3>,4|C<3>}	C[6a](N[6]Nb[3x6]C[6])(C[6a]C[6a]H)2{1|N<2>,1|P<4>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	117.0977	0.324	3	117.0977	0.105	3	117.0977	0.105	3	117.0977	0.105	3	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	6:4:3:	3:3:1:1:	3:3:3:	Nb[3,5,6,6]-6:C[6]-4:C[6a]-3:	N[6]-3:C[6,6a]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Nb[3,5,6,6]P[5,6,6]C[3,5]N[3]N[6]C)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6](N[6]Nb[3,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](N[6]Nb[3,5,6,6]C[6])(C[6a]C[6a]H)2	N[6](Nb[3,5,6,6]P[5,6,6]C[3,5]N[3]N[6]C)(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,9|C<3>}	C[6](N[6]Nb[3,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|P<4>,2|C<4>,2|N<3>,4|C<3>}	C[6a](N[6]Nb[3,5,6,6]C[6])(C[6a]C[6a]H)2{1|P<4>,2|C<3>,2|H<1>,2|N<3>,4|C<4>}	115.2775	1.257	2	115.2775	1.579	2	115.2775	1.579	2	114.4956	1.438	5	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	6:4:3:	3:3:1:1:	3:3:3:	Nb[3x6]-6:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Nb[3x6]P[3x6]N[6]3N)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[3x6]C[6a])(H)2	C[6a](N[6]Nb[3x6]C[6])(C[6a]C[6a]H)2	N[6](Nb[3x6]P[3x6]N[6]3N)(C[6]C[6,6a]HH)(C[6a]C[6a]2){10|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[3x6]C[6a])(H)2{1|H<1>,1|N<2>,1|P<4>,3|N<3>,4|C<3>}	C[6a](N[6]Nb[3x6]C[6])(C[6a]C[6a]H)2{1|N<2>,1|P<4>,2|C<3>,2|C<4>,2|H<1>,3|N<3>}	113.9743	1.033	3	113.9743	1.067	3	113.9743	1.067	3	114.4956	1.438	5	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP2_SP2_SP3	N[6]	C[6]	C[6a]	8:4:3:	3:3:1:1:	3:3:3:	Nb[3x3,5,6,6]-8:C[6]-4:C[6a]-3:	N[6]-3:C[6,6a]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Nb[3x3,5,6,6]P[5,6,6]C[3,5]S[3,3]N[3]N[6]O[3]2)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6](N[6]Nb[3x3,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](N[6]Nb[3x3,5,6,6]C[6])(C[6a]C[6a]H)2	N[6](Nb[3x3,5,6,6]P[5,6,6]C[3,5]S[3,3]N[3]N[6]O[3]2)(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,9|C<3>}	C[6](N[6]Nb[3x3,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,1|P<4>,1|S<5>,2|N<3>,2|O<2>,4|C<3>}	C[6a](N[6]Nb[3x3,5,6,6]C[6])(C[6a]C[6a]H)2{1|P<4>,1|S<5>,2|C<3>,2|H<1>,2|N<3>,2|O<2>,3|C<4>}	114.6655	2.374	2	114.6655	5.635	2	114.6655	5.635	2	114.6655	5.635	2	118.2316	10.505	1435	117.9519	11.499	1615
856	466	643	0:SP3_SP2_SP3	N[3x6]	C[6,6]	C[6,6a]	4:3:4:	3:3:3:1:	3:3:3:	C[3x6]-4:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:N[3x6]-3:N[6]-3:H-1:	N[3x6]-3:C[6,6a]-3:C[6a]-3:	N[3x6](C[3x6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[3x6])(N[6]C[6,6a]H)(H)	C[6,6a](N[3x6]C[3x6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[3x6](C[3x6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[3x6])(N[6]C[6,6a]H)(H){1|N<3>,2|H<1>,6|C<3>}	C[6,6a](N[3x6]C[3x6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|N<3>,5|H<1>}	112.0110	0.346	2	112.0110	0.120	2	112.0110	0.120	2	112.0110	0.120	2	112.0110	0.120	2	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[3x6]	C[6a]	3:4:2:	3:3:4:1:	3:3:2:	C[6a]-3:C[3x6]-4:O[6,6]-2:	C[6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	N[6,6]-3:C[6a]-3:N[6a]-2:	N[6,6](C[6a]C[6a]N[6a])(C[3x6]C[6,6]2H)(O[6,6]C[3x6])	C[3x6](C[6,6]C[6,6]C[6a])(N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6,6](C[6a]C[6a]N[6a])(C[3x6]C[6,6]2H)(O[6,6]C[3x6]){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]C[6a])(N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,3|C<4>}	117.4210	1.105	4	117.4210	1.221	4	117.4210	1.221	4	117.4210	1.221	4	118.2141	6.704	20	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[3x6]	C[6a]	4:2:3:	3:4:4:1:	3:3:3:	C[3x6]-4:O[6,6]-2:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(C[6a]C[6a]2)	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(H)	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)2	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(C[6a]C[6a]2){3|C<3>,3|C<4>,5|H<1>}	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	116.2055	1.383	4	116.2055	1.912	4	116.2055	1.912	4	116.2055	1.912	4	118.2141	6.704	20	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[3x6]	C[6a]	4:3:3:	3:4:4:1:	3:3:3:	C[3x6]-4:C[6a]-3:N[6,6]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6a,6a]-3:C[6a,6a]-3:N[6,6]-3:	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)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[6,6]C[3x6]N[6,6])	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>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[6,6]C[3x6]N[6,6]){3|H<1>,4|C<4>,5|C<3>}	117.6750	0.000	1	117.6750	0.000	1	117.6750	0.000	1	116.6762	5.373	5	118.2141	6.704	20	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[3x6]	C[6a]	4:3:3:	3:4:4:1:	3:3:3:	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[6a]-3:C[6a]-3:	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)	C[6a](N[6,6]C[3x6]N[6,6])(C[6a]C[6a]H)2	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>}	C[6a](N[6,6]C[3x6]N[6,6])(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	116.4265	2.598	4	116.4265	6.748	4	116.4265	6.748	4	116.6762	5.373	5	118.2141	6.704	20	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[3x6]	C[6a]	4:4:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[3x6]-4:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	120.5645	0.231	2	120.3903	0.118	3	120.3903	0.118	3	120.3903	0.118	3	118.2141	6.704	20	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[3x6]	C[6a]	4:4:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[3x6]-4:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	120.0420	0.000	1	120.3903	0.118	3	120.3903	0.118	3	120.3903	0.118	3	118.2141	6.704	20	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[3x6]	C[6a]	4:4:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[3x6]-4:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,1|O<2>,5|C<3>,6|H<1>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,4|H<1>}	119.7980	0.000	1	119.7980	0.000	1	119.7980	0.000	1	119.7980	0.000	1	118.2141	6.704	20	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[3x6]	C[6a]	4:4:3:	3:4:4:4:	3:3:3:	C[6,6]-4:C[3x6]-4:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]B[6,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2	N[6,6](C[6,6]B[6,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2){2|C<3>,4|H<1>,7|C<4>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|B<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2{1|B<3>,1|C<3>,3|H<1>,4|C<4>}	124.2240	0.000	1	124.2240	0.000	1	122.8510	3.770	2	122.8510	3.770	2	118.2141	6.704	20	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[3x6]	C[6a]	4:4:3:	3:4:4:4:	3:3:3:	C[6,6]-4:C[3x6]-4:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[3x6]B[5a]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2	N[6,6](C[6,6]C[3x6]B[5a]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|B<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2{1|B<3>,1|C<3>,3|H<1>,4|C<4>}	121.4780	0.000	1	121.4780	0.000	1	122.8510	3.770	2	122.8510	3.770	2	118.2141	6.704	20	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[3x6]	C[6a]	4:4:3:	4:3:3:1:	3:3:3:	C[3x6]-4:C[6,6]-4:C[6a]-3:	C[5,6,6]-4:N[6,6]-3:C[6,6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[6a]C[6a]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(H)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	118.2141	6.704	20	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[6,6]-4:C[6,6]-4:C[6a]-3:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,6|H<1>}	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<2>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	115.9040	0.000	1	115.9040	0.000	1	115.9040	0.000	1	115.9040	0.000	1	117.3091	2.008	11	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6a]	4:4:3:	3:4:2:1:	3:3:3:	C[6,6]-4:C[6,6]-4:C[6a]-3:	N[6,6]-3:C[6]-4:N[6]-2:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)(N[6]C[6,6])(H)	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,6|H<1>}	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)(N[6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	114.9930	0.000	1	114.9930	0.000	1	114.9930	0.000	1	114.9930	0.000	1	117.3091	2.008	11	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6a]	4:4:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[3x6]-4:C[6a]-3:	N[6,6]-3:C[3x6]-4:B[5a]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[3x6]B[5a]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[5a]O[5a]2)(H)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2	N[6,6](C[6,6]C[3x6]B[5a]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[5a]O[5a]2)(H){3|H<1>,4|C<3>,4|C<4>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2{1|B<3>,1|C<3>,3|H<1>,4|C<4>}	119.8740	0.000	1	119.8740	0.000	1	119.8740	0.000	1	117.7923	2.022	6	117.3091	2.008	11	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6a]	4:4:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[3x6]-4:C[6a]-3:	N[6,6]-3:C[3x6]-4:B[6,6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]B[6,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[6,6]C[6,6]2)(H)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2	N[6,6](C[6,6]B[6,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2){2|C<3>,4|H<1>,7|C<4>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[6,6]C[6,6]2)(H){2|C<3>,5|H<1>,8|C<4>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2{1|B<3>,1|C<3>,3|H<1>,4|C<4>}	116.7100	0.000	1	116.7100	0.000	1	116.7100	0.000	1	117.7923	2.022	6	117.3091	2.008	11	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6a]	4:4:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[3x6]-4:C[6a]-3:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,1|O<2>,5|C<3>,6|H<1>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,4|H<1>}	115.7940	0.000	1	115.7940	0.000	1	117.5425	1.452	4	117.7923	2.022	6	117.3091	2.008	11	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6a]	4:4:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[3x6]-4:C[6a]-3:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	118.3015	0.308	2	118.1253	0.140	3	117.5425	1.452	4	117.7923	2.022	6	117.3091	2.008	11	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6a]	4:4:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[3x6]-4:C[6a]-3:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	117.7730	0.000	1	118.1253	0.140	3	117.5425	1.452	4	117.7923	2.022	6	117.3091	2.008	11	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6a]	4:4:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6]-4:C[6a]-3:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H)	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2	N[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2){10|H<1>,1|C<4>,3|C<3>}	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	117.8230	0.813	2	117.8230	0.661	2	117.8230	0.661	2	117.8230	0.661	2	117.3091	2.008	11	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6a]	4:4:3:	4:3:3:1:	3:3:3:	C[3x6]-4:C[6,6]-4:C[6a]-3:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[6a]C[6a]2)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(N[6,6]C[3x6]C[6a])(C[6a]C[6a]2)(H)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(N[6,6]C[3x6]C[6a])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	117.1030	0.000	1	117.1030	0.000	1	117.1030	0.000	1	117.1030	0.000	1	117.3091	2.008	11	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]CH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]CH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	112.5030	0.942	2	112.5030	0.887	2	112.7201	0.526	55	112.7661	0.541	59	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,7|H<1>}	111.9500	0.000	1	111.9500	0.000	1	112.7201	0.526	55	112.7661	0.541	59	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[5,6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	112.8765	0.306	2	112.8765	0.094	2	112.7201	0.526	55	112.7661	0.541	59	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Br<1>,1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br){1|N<3>,2|C<3>,8|H<1>}	114.2385	0.162	2	114.2385	0.026	2	112.7201	0.526	55	112.7661	0.541	59	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C){2|C<3>,2|N<3>,7|H<1>}	113.7040	0.000	1	113.4553	0.054	3	112.7201	0.526	55	112.7661	0.541	59	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C){2|C<3>,3|N<3>,6|H<1>}	113.3310	0.126	2	113.4553	0.054	3	112.7201	0.526	55	112.7661	0.541	59	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|F<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|F<1>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]F){1|N<3>,2|C<3>,2|F<1>,6|H<1>}	113.3610	0.000	1	113.3610	0.000	1	112.7201	0.526	55	112.7661	0.541	59	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,7|H<1>}	113.3560	0.000	1	112.7742	0.353	36	112.7201	0.526	55	112.7661	0.541	59	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	112.7574	0.612	33	112.7742	0.353	36	112.7201	0.526	55	112.7661	0.541	59	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<4>,2|C<3>,8|H<1>}	112.7605	0.213	2	112.7742	0.353	36	112.7201	0.526	55	112.7661	0.541	59	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5a])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5a]){1|N<3>,4|C<3>,8|H<1>}	112.1720	0.134	4	112.1720	0.018	4	112.7201	0.526	55	112.7661	0.541	59	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]S)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|S<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]S){1|N<3>,2|C<3>,8|H<1>}	111.3420	0.431	2	111.3420	0.186	2	112.7201	0.526	55	112.7661	0.541	59	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a,6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a,6a]H){1|N<3>,3|C<3>,7|H<1>}	111.7230	0.450	2	111.7230	0.202	2	112.7201	0.526	55	112.7661	0.541	59	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6]){1|N<3>,4|C<3>,8|H<1>}	113.3995	0.656	4	113.3995	0.430	4	113.3995	0.430	4	112.7661	0.541	59	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:N-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(NHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HN){2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(NHS)(H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C){2|C<3>,2|N<3>,7|H<1>}	113.2590	0.000	1	113.2590	0.000	1	113.2590	0.000	1	113.2590	0.000	1	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	115.6837	0.656	3	115.6837	0.431	3	115.6837	0.431	3	113.8613	4.275	6	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6a]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6a]C[6]H){2|C<4>,4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	112.0390	0.543	3	112.0390	0.295	3	112.0390	0.295	3	113.8613	4.275	6	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a])	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a]){2|C<4>,3|C<3>,6|H<1>}	112.8900	0.000	1	112.8900	0.000	1	112.8900	0.000	1	112.8900	0.000	1	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[3x6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2{2|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	118.2227	0.668	3	118.2227	0.446	3	118.2227	0.446	3	116.2143	7.952	15	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-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:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	118.0180	0.000	1	118.0180	0.000	1	115.7122	8.664	12	116.2143	7.952	15	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-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:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	119.7250	0.000	1	119.7250	0.000	1	115.7122	8.664	12	116.2143	7.952	15	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-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:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH){2|N<3>,4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|F<1>,2|C<3>,2|C<4>,5|H<1>}	113.7130	0.000	1	113.7130	0.000	1	115.7122	8.664	12	116.2143	7.952	15	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-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:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]Si[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|Si<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]Si[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	113.2610	0.000	1	113.2610	0.000	1	115.7122	8.664	12	116.2143	7.952	15	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-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:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	110.6390	0.000	1	110.6390	0.000	1	115.7122	8.664	12	116.2143	7.952	15	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-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:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]Si[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|Si<4>,1|C<4>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]Si[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|F<1>,2|C<3>,3|C<4>,5|H<1>}	112.7000	0.000	1	112.6440	0.006	2	115.7122	8.664	12	116.2143	7.952	15	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-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:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]Si[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|Si<4>,1|C<4>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]Si[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	112.5880	0.000	1	112.6440	0.006	2	115.7122	8.664	12	116.2143	7.952	15	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-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:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	117.4865	0.050	2	117.4865	0.003	2	115.7122	8.664	12	116.2143	7.952	15	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-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:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	117.4390	0.000	1	117.1230	0.200	2	115.7122	8.664	12	116.2143	7.952	15	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-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:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	116.8070	0.000	1	117.1230	0.200	2	115.7122	8.664	12	116.2143	7.952	15	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-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:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,6|H<1>}	118.6840	0.000	1	118.6840	0.000	1	115.7122	8.664	12	116.2143	7.952	15	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	4:3:4:	3:3:3:1:	3:3:3:	C[3x6]-4:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:N-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H)	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H){3|C<3>,3|N<3>,5|H<1>}	111.9290	0.000	1	111.9290	0.000	1	111.9290	0.000	1	111.9290	0.000	1	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	4:3:4:	3:4:1:1:	3:3:3:	C[6,6]-4:C[6,6a]-3: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:	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	118.1080	0.000	1	118.1080	0.000	1	118.0687	0.150	3	118.0687	0.150	3	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	4:3:4:	3:4:1:1:	3:3:3:	C[6,6]-4:C[6,6a]-3: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:	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	118.0490	0.546	2	118.0490	0.298	2	118.0687	0.150	3	118.0687	0.150	3	113.6264	4.372	86	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6,6]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:	C[6,6]-3:N[6]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(C[6]O[6]HH)(H)	C[6a](N[6]C[6,6]O[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6]){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(C[6]O[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6]C[6,6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	116.0840	0.000	1	116.0840	0.000	1	116.0840	0.000	1	116.0840	0.000	1	117.3380	9.740	6	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6,6]	C[6a]	4:3:2:	4:3:4:1:	3:3:3:	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[6a]-3:C[6a]-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)	C[6a](N[6]C[6,6]N[6])(C[6a]C[6a]H)2	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>}	C[6a](N[6]C[6,6]N[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	119.9340	0.000	1	119.9340	0.000	1	119.9340	0.000	1	119.9340	0.000	1	117.3380	9.740	6	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6]-3:C[6a]-3:	C[6,6,6a]-3:N[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6a]C[6])(C[6]C[6]C)(H){1|O<2>,7|C<3>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	118.9090	0.000	1	118.9090	0.000	1	118.9090	0.000	1	118.9090	0.000	1	117.3380	9.740	6	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]Br)(N[6]C[6,6]C[6])(C[6a]C[6a]H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|Br<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6a]C[6])(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]Br)(N[6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.8580	0.000	1	120.8580	0.000	1	120.8580	0.000	1	120.8580	0.000	1	117.3380	9.740	6	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6,6]	C[6a]	4:4:3:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6a]C[6])(H)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|C<4>,2|H<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[6a]C[6])(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,5|H<1>}	115.6770	0.000	1	115.6770	0.000	1	115.6770	0.000	1	115.6770	0.000	1	117.3380	9.740	6	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6,6]	C[6a]	4:4:3:	3:4:2:1:	3:3:3:	C[6,6]-4:C[6]-4:C[6a]-3:	N[6]-3:C[6,6]-4:O[6]-2:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[5,6])(H)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2){2|C<4>,3|H<1>,7|C<3>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[5,6])(H){1|C<4>,3|H<1>,7|C<3>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	112.5660	0.000	1	112.5660	0.000	1	112.5660	0.000	1	112.5660	0.000	1	117.3380	9.740	6	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:O[6]-2:	N[6]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O[6]C[6])	C[6](N[6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]O[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O[6]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]O[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	116.2420	0.805	2	116.2420	0.648	2	116.2420	0.648	2	116.2420	0.648	2	116.2420	0.648	2	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	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:	N[6]-3:C[6a]-3:C[6a]-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)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	116.1790	0.000	1	116.1790	0.000	1	116.1790	0.000	1	116.1790	0.000	1	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)	C[6](N[6]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CF)(H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH){4|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CF)(H){1|O<1>,4|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	118.1940	0.000	1	118.1940	0.000	1	118.1940	0.000	1	118.1940	0.000	1	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:N[6a]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	117.7890	0.000	1	117.9220	0.035	2	117.9220	0.035	2	117.9220	0.035	2	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:N[6a]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	118.0550	0.000	1	117.9220	0.035	2	117.9220	0.035	2	117.9220	0.035	2	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	111.7570	0.000	1	111.7570	0.000	1	111.7570	0.000	1	111.7570	0.000	1	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO){1|N<2>,3|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H){1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	115.2630	0.000	1	115.2630	0.000	1	115.2630	0.000	1	115.2630	0.000	1	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH){2|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	114.9070	0.000	1	114.9070	0.000	1	114.9070	0.000	1	114.9070	0.000	1	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:2:	3:3:1:1:	3:3:2:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:N[6a]-2:	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	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	121.1070	0.000	1	121.1070	0.000	1	121.1070	0.000	1	121.1070	0.000	1	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:O[6]-2:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](N[6]C[6a]O[6])(C[6]C[6,6]H)(H)2	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]O[6])(C[6]C[6,6]H)(H)2{2|C<3>,2|C<4>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	116.4340	0.000	1	116.4340	0.000	1	117.5043	0.711	7	117.5043	0.711	7	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:O[6]-2:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(H)2	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	118.1640	0.000	1	117.6827	0.586	6	117.5043	0.711	7	117.5043	0.711	7	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:O[6]-2:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(H)2	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){4|C<3>,4|H<1>}	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	117.5864	0.814	5	117.6827	0.586	6	117.5043	0.711	7	117.5043	0.711	7	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:C[6a]-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)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	122.0320	0.000	1	121.4380	0.706	2	121.5993	0.431	3	120.4590	2.654	5	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:C[6a]-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)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	120.8440	0.000	1	121.4380	0.706	2	121.5993	0.431	3	120.4590	2.654	5	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:C[6a]-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)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	121.9220	0.000	1	121.9220	0.000	1	121.5993	0.431	3	120.4590	2.654	5	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C[6]-4:O[6]-2:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])	C[6](C[6]C[6a]C[6])(N[6]C[6a]O[6])(CH3)(H)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6]){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6a]O[6])(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	118.7090	0.000	1	118.7090	0.000	1	118.7090	0.000	1	120.4590	2.654	5	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C[6]-4:O[6]-2:	N[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(CCHH)(H)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	118.7880	0.000	1	118.7880	0.000	1	118.7880	0.000	1	120.4590	2.654	5	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[6a]-3:C[6a]-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)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	120.9590	0.000	1	120.9590	0.000	1	120.9590	0.000	1	120.9590	0.000	1	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-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	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	119.0915	3.088	2	119.0915	9.535	2	119.0915	9.535	2	119.0915	9.535	2	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H)	C[6a](N[6]C[5a,6]C[6])(C[6a]C[6a]H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[6a](N[6]C[5a,6]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,4|C<3>}	117.7870	0.000	1	117.7870	0.000	1	117.7870	0.000	1	117.7870	0.000	1	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-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	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	122.3655	0.056	2	122.3655	0.003	2	123.1315	0.795	4	123.1315	0.795	4	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	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	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	123.7680	0.000	1	123.8975	0.034	2	123.1315	0.795	4	123.1315	0.795	4	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	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	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	124.0270	0.000	1	123.8975	0.034	2	123.1315	0.795	4	123.1315	0.795	4	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:2:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:S[6]-2:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]HH)	C[6](N[6]C[6a]C[6])(S[6]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]HH){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(S[6]C[6])(H)2{1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|S<2>,2|C<3>,6|H<1>}	118.4110	0.000	1	118.4110	0.000	1	118.4110	0.000	1	118.4110	0.000	1	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH){3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	117.1890	0.000	1	117.1890	0.000	1	116.8862	1.559	4	117.4075	3.552	30	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH){2|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,2|C<3>,6|H<1>}	116.6300	0.000	1	116.6300	0.000	1	116.8862	1.559	4	117.4075	3.552	30	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]HH){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|H<1>,2|S<2>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|S<2>,2|C<3>,6|H<1>}	118.3660	0.000	1	118.3660	0.000	1	116.8862	1.559	4	117.4075	3.552	30	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	115.3600	0.000	1	115.3600	0.000	1	116.8862	1.559	4	117.4075	3.552	30	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)	C[6](N[6]C[6a]C[6])(N[6]C[6]P)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]P)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	119.9840	0.000	1	119.9840	0.000	1	117.4877	3.883	26	117.4075	3.552	30	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)	C[6](N[6]C[6a]C[6])2(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH){2|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])2(H)2{3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,2|C<3>,6|H<1>}	117.5930	0.000	1	117.5930	0.000	1	117.4877	3.883	26	117.4075	3.552	30	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|F<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	117.2280	0.263	2	117.2280	0.069	2	117.4877	3.883	26	117.4075	3.552	30	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|F<1>,2|N<3>,5|H<1>}	114.7690	0.000	1	117.5810	7.292	3	117.4877	3.883	26	117.4075	3.552	30	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	118.9870	1.650	2	117.5810	7.292	3	117.4877	3.883	26	117.4075	3.552	30	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|F<1>,2|N<3>,5|H<1>}	117.6080	0.000	1	116.6830	0.915	3	117.4877	3.883	26	117.4075	3.552	30	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	116.2205	0.739	2	116.6830	0.915	3	117.4877	3.883	26	117.4075	3.552	30	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])2(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|F<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	115.9635	0.226	2	115.9635	0.051	2	117.4877	3.883	26	117.4075	3.552	30	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	116.8658	1.989	6	116.8658	3.956	6	117.4877	3.883	26	117.4075	3.552	30	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])2(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	118.3415	2.379	8	118.3415	5.660	8	117.4877	3.883	26	117.4075	3.552	30	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:4:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	122.0050	0.000	1	119.5842	7.143	4	119.5842	7.143	4	119.5842	7.143	4	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:4:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	120.2815	0.199	2	119.5842	7.143	4	119.5842	7.143	4	119.5842	7.143	4	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:4:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|N<4>,4|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	115.7690	0.000	1	119.5842	7.143	4	119.5842	7.143	4	119.5842	7.143	4	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:B[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(B[6]N[6]N)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](N[6]C[6a]C[6])(B[6]N[6]N)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<3>,1|C<3>,2|C<4>,5|H<1>}	121.9990	0.625	2	121.9990	0.391	2	121.6253	0.614	3	121.6253	0.614	3	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:B[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(B[6]N[6]S)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){1|N<3>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(B[6]N[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<3>,1|C<3>,2|C<4>,5|H<1>}	120.8780	0.000	1	120.8780	0.000	1	121.6253	0.614	3	121.6253	0.614	3	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:3:4:3:	3:3:3:	C[6a]-3:C[6]-4:S[6]-4:	N[6]-3:N[6]-3:C-4:C-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(S[6]N[6]OO)	C[6](N[6]C[6a]S[6])(N[6]C[6]H)(CH3)(COO)	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(S[6]N[6]OO){3|C<3>,3|H<1>}	C[6](N[6]C[6a]S[6])(N[6]C[6]H)(CH3)(COO){1|N<2>,1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2{2|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<1>}	120.5830	0.000	1	120.5830	0.000	1	120.5830	0.000	1	120.5830	0.000	1	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	119.9060	0.608	2	119.9060	0.370	2	119.9552	2.223	21	119.9552	2.223	21	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	120.7245	0.939	4	120.3288	2.194	13	119.9552	2.223	21	119.9552	2.223	21	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	121.1000	0.512	2	120.3288	2.194	13	119.9552	2.223	21	119.9552	2.223	21	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|Si<4>,1|C<3>,2|C<4>,5|H<1>}	117.9650	0.000	1	120.3288	2.194	13	119.9552	2.223	21	119.9552	2.223	21	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	119.9200	0.328	2	120.3288	2.194	13	119.9552	2.223	21	119.9552	2.223	21	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<4>,2|N<2>,3|H<1>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	120.3427	2.279	4	120.3288	2.194	13	119.9552	2.223	21	119.9552	2.223	21	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	118.2302	0.655	4	118.2302	0.429	4	119.9552	2.223	21	119.9552	2.223	21	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	121.0265	0.675	2	121.0265	0.456	2	119.9552	2.223	21	119.9552	2.223	21	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	117.2550	1.424	2	117.2550	2.028	2	119.1571	5.188	10	118.3414	5.988	22	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	117.5235	2.980	2	117.5235	8.883	2	119.1571	5.188	10	118.3414	5.988	22	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	119.9150	2.437	2	119.9150	5.937	2	119.1571	5.188	10	118.3414	5.988	22	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	121.1540	0.677	2	121.1540	0.459	2	119.1571	5.188	10	118.3414	5.988	22	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|O<2>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	119.9380	2.543	2	119.9380	6.466	2	119.1571	5.188	10	118.3414	5.988	22	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-3:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	119.2950	2.227	2	119.2950	4.961	2	117.6616	6.079	12	118.3414	5.988	22	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-3:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	120.1930	3.080	2	120.1930	9.487	2	117.6616	6.079	12	118.3414	5.988	22	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-3:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	118.3835	2.005	2	117.3083	4.689	4	117.6616	6.079	12	118.3414	5.988	22	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-3:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	116.2330	2.329	2	117.3083	4.689	4	117.6616	6.079	12	118.3414	5.988	22	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-3:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	114.5525	0.340	2	114.5525	0.116	2	117.6616	6.079	12	118.3414	5.988	22	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-2:N[6a]-3:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	117.3125	0.052	2	117.3125	0.003	2	117.6616	6.079	12	118.3414	5.988	22	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<2>,1|S<2>,3|C<4>,5|H<1>}	115.2365	0.435	2	115.6545	0.681	4	115.6545	0.681	4	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2{1|N<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<2>,1|S<2>,3|C<4>,5|H<1>}	116.0725	1.074	2	115.6545	0.681	4	115.6545	0.681	4	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|C<2>,3|C<3>,3|C<4>,4|H<1>}	118.6033	0.256	4	118.0309	0.642	8	117.7380	2.637	14	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	117.4585	0.747	4	118.0309	0.642	8	117.7380	2.637	14	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,2|N<2>,5|H<1>}	115.4110	1.205	2	115.4110	1.452	2	117.7380	2.637	14	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	119.9005	1.587	2	118.3158	5.163	4	117.7380	2.637	14	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	116.7310	1.710	2	118.3158	5.163	4	117.7380	2.637	14	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	116.5000	0.132	2	116.5000	0.017	2	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	120.6927	0.903	4	120.6927	0.816	4	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	117.7855	0.552	2	117.7855	0.305	2	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	119.1830	0.701	2	120.0768	0.878	6	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	120.6435	0.340	2	120.0768	0.878	6	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	120.4040	1.153	2	120.0768	0.878	6	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	119.4650	0.819	2	119.4650	0.670	2	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	120.1620	2.103	2	120.1620	4.422	2	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	119.0700	0.355	2	118.3815	2.433	20	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	117.8370	1.420	2	118.3815	2.433	20	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	116.9780	0.518	2	118.3815	2.433	20	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	118.6928	1.308	6	118.3815	2.433	20	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	118.4629	2.041	8	118.3815	2.433	20	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	119.7640	2.001	2	119.7640	4.004	2	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(N[6]C[6]2){1|Br<1>,1|C<3>,3|C<4>,4|H<1>}	116.3730	0.266	2	116.3730	0.071	2	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,4|C<4>,4|H<1>}	119.1840	1.148	2	119.1840	1.319	2	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|Br<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,3|C<4>,4|H<1>}	116.9965	1.310	2	116.9965	1.717	2	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	122.1235	3.272	2	122.1235	10.705	2	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	119.0390	1.236	4	119.2655	1.468	6	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,2|C<4>,5|H<1>}	119.7185	1.464	2	119.2655	1.468	6	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	117.4525	1.452	2	117.4525	2.107	2	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	114.3780	1.498	4	114.3780	2.243	4	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|O<2>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	117.9275	0.661	2	117.9275	0.437	2	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	116.7960	0.000	1	115.0463	2.840	4	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	115.2740	0.700	2	115.0463	2.840	4	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|N<4>,4|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	112.8410	0.000	1	115.0463	2.840	4	118.3579	4.876	66	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-3:N[6a]-2:N[6]-3:	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	120.3930	1.301	2	120.3930	1.693	2	120.3930	1.693	2	118.1785	4.648	86	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	117.7950	0.122	2	117.7950	0.015	2	114.8323	6.565	11	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	115.7890	0.387	2	114.1562	4.223	4	114.8323	6.565	11	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	112.5235	1.363	2	114.1562	4.223	4	114.8323	6.565	11	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	116.0657	0.432	3	116.0657	0.187	3	114.8323	6.565	11	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|S<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	111.3715	2.166	2	111.3715	4.691	2	114.8323	6.565	11	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[6]-3:	N[6](C[6a]C[5a,6a]C[6a,6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[6]C[6]2)	N[6](C[6a]C[5a,6a]C[6a,6a])(C[6]C[6]HH)2{2|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,4|C<3>,6|H<1>}	114.2895	0.449	2	114.2895	0.202	2	114.2895	0.202	2	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<2>,1|S<2>,2|C<4>,5|H<1>}	115.3895	0.325	2	115.3895	0.105	2	116.3679	6.390	14	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|S<2>,2|C<3>,2|C<4>,6|H<1>}	114.8910	1.239	2	115.5081	1.691	8	116.3679	6.390	14	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	115.7138	1.363	6	115.5081	1.691	8	116.3679	6.390	14	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<2>,1|O<2>,2|C<4>,5|H<1>}	121.6505	2.221	2	121.6505	4.933	2	116.3679	6.390	14	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	115.5030	1.030	2	115.5030	1.060	2	116.3679	6.390	14	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	115.1200	1.809	2	115.1200	3.272	2	117.0606	8.577	20	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]2){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	118.2242	0.434	4	118.2242	0.188	4	117.0606	8.577	20	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	118.2432	2.925	6	118.6309	8.736	8	117.0606	8.577	20	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,1|N<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	119.7940	3.841	2	118.6309	8.736	8	117.0606	8.577	20	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|N<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	113.5460	0.515	2	113.5460	0.265	2	117.0606	8.577	20	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	114.6220	2.406	2	114.6220	5.787	2	117.0606	8.577	20	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(N[6]C[6]2)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|C<3>,1|O<1>,1|O<2>,2|N<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(N[6]C[6]2){1|N<2>,1|N<3>,4|C<4>,5|H<1>}	116.3460	4.650	2	116.3460	21.622	2	117.0606	8.577	20	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[6]C[6]2)	N[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)2{1|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[6]C[6]2){2|C<4>,5|C<3>,6|H<1>}	118.0350	1.650	2	118.0350	2.724	2	118.0350	2.724	2	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	117.3862	0.517	6	117.3389	0.346	10	116.0646	3.801	38	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	117.2680	0.762	4	117.3389	0.346	10	116.0646	3.801	38	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2){1|N<2>,2|C<4>,4|C<3>,6|H<1>}	118.4395	2.538	2	118.4395	6.440	2	116.0646	3.801	38	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	113.9735	1.395	6	113.9735	1.946	6	116.0646	3.801	38	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	116.8965	1.370	2	116.0860	2.288	4	116.0646	3.801	38	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	115.2755	1.537	2	116.0860	2.288	4	116.0646	3.801	38	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(N[6]C[6]2){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	115.8550	1.475	2	115.8550	2.176	2	116.0646	3.801	38	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	115.5823	0.929	3	115.4592	0.631	5	116.0646	3.801	38	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	115.2745	0.827	2	115.4592	0.631	5	116.0646	3.801	38	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6]C[6]2){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	114.7410	3.237	2	114.7410	10.479	2	116.0646	3.801	38	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(N[6]C[6]2){2|C<4>,4|H<1>,5|C<3>}	117.4180	0.664	4	117.4180	0.440	4	116.0646	3.801	38	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	112.8240	2.442	2	112.8240	5.965	2	116.0646	3.801	38	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6]C[6]2)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	118.1930	0.000	1	118.1930	0.000	1	116.0646	3.801	38	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){1|N<3>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<3>,1|C<3>,2|C<4>,5|H<1>}	114.1450	0.000	1	115.2130	1.017	3	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<3>,1|C<3>,2|C<4>,5|H<1>}	115.7470	0.569	2	115.2130	1.017	3	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	119.1230	0.000	1	119.1230	0.000	1	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	115.9520	0.000	1	115.9520	0.000	1	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	121.4890	1.038	2	121.4890	1.078	2	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2){1|C<2>,2|C<3>,3|C<4>,5|H<1>}	116.1412	1.423	4	116.7668	1.504	8	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2){3|C<3>,3|C<4>,5|H<1>}	117.3923	0.663	4	116.7668	1.504	8	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	116.1180	0.410	2	115.0227	6.382	10	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	115.8032	3.338	4	115.0227	6.382	10	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	114.7785	1.989	2	115.0227	6.382	10	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	112.6105	1.817	2	115.0227	6.382	10	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	118.3820	7.401	2	118.3820	54.769	2	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	114.0895	0.725	2	114.0895	0.525	2	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]N[6a]O)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]N[6a]O)(N[6]C[6]2){1|F<1>,1|N<2>,2|C<4>,5|H<1>}	120.4440	0.561	2	120.4440	0.315	2	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]F)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]F)2(N[6]C[6]2){1|C<3>,2|C<4>,2|F<1>,4|H<1>}	116.5219	2.213	10	116.5219	4.897	10	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	116.1265	0.907	2	116.7597	1.540	20	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	116.5130	1.393	10	116.7597	1.540	20	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	117.8965	0.220	2	116.7597	1.540	20	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	117.1460	0.000	1	116.7597	1.540	20	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	115.1890	0.000	1	116.7597	1.540	20	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{3|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	117.4207	0.925	4	116.7597	1.540	20	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	116.2212	3.323	6	116.2212	11.045	6	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	121.2600	0.626	2	121.2600	0.392	2	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,2|F<1>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	120.3840	0.000	1	120.4166	1.365	5	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	120.9850	1.399	2	120.4166	1.365	5	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	119.8645	1.498	2	120.4166	1.365	5	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|F<1>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	121.7040	0.000	1	121.7040	0.000	1	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	115.7055	0.581	2	115.7055	0.337	2	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	118.0730	0.055	2	117.5441	3.838	16	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	116.9905	1.475	6	117.5441	3.838	16	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	118.8350	2.908	4	117.5441	3.838	16	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	116.8192	1.840	4	117.5441	3.838	16	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,2|F<1>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	120.5130	0.000	1	120.5130	0.000	1	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	114.7550	0.276	2	116.9934	3.113	74	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	116.4225	1.785	4	116.9934	3.113	74	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	117.8075	1.583	4	116.9934	3.113	74	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	116.9490	1.715	58	116.9934	3.113	74	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	118.0063	2.103	6	116.9934	3.113	74	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|F<1>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	115.8710	0.000	1	115.8710	0.000	1	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	116.8180	0.650	4	114.1994	4.688	18	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	113.2700	1.062	2	114.1994	4.688	18	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	115.1030	1.229	2	114.1994	4.688	18	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	113.1571	1.947	10	114.1994	4.688	18	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	115.6155	1.090	2	116.0197	2.468	19	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	116.0580	0.000	1	116.0197	2.468	19	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	116.5475	0.920	6	116.0197	2.468	19	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	114.3005	1.329	2	116.0197	2.468	19	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	116.1499	2.042	8	116.0197	2.468	19	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	113.6697	0.755	4	114.4604	2.207	8	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	115.2510	1.706	4	114.4604	2.207	8	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|N<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	118.8170	1.394	4	119.1160	1.547	6	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|N<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	119.7140	0.909	2	119.1160	1.547	6	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	115.8760	0.144	2	115.1943	2.108	44	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	115.4932	1.647	14	115.1943	2.108	44	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	114.6739	1.198	8	115.1943	2.108	44	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	114.9264	1.622	12	115.1943	2.108	44	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	115.4229	1.238	8	115.1943	2.108	44	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|S<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	114.9010	1.926	4	114.4153	4.201	18	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|S<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	114.2766	2.132	14	114.4153	4.201	18	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	114.3860	1.703	4	116.6445	3.524	124	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	114.6825	2.795	2	116.6445	3.524	124	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	116.0902	1.857	38	116.6445	3.524	124	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<2>,2|C<4>,6|H<1>}	117.0085	0.200	2	116.6445	3.524	124	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	119.2044	1.932	8	116.6445	3.524	124	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	116.9263	1.808	22	116.6445	3.524	124	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	117.6542	0.748	6	116.6445	3.524	124	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	118.8620	2.042	2	116.6445	3.524	124	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|Al<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	116.4790	0.617	4	116.6445	3.524	124	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	116.2743	1.556	26	116.6445	3.524	124	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	117.0165	0.600	2	116.6445	3.524	124	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	118.0160	0.226	2	116.6445	3.524	124	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	117.1325	1.111	6	116.6445	3.524	124	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	114.3425	1.030	2	114.3425	1.061	2	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	116.1355	2.237	2	116.1355	5.002	2	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	116.7180	0.683	2	116.7180	0.467	2	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2){1|C<2>,2|C<3>,3|C<4>,5|H<1>}	115.9377	2.021	8	115.4922	5.065	12	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2){3|C<3>,3|C<4>,5|H<1>}	114.6010	2.731	4	115.4922	5.065	12	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|B<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	113.5620	2.301	2	113.5620	5.294	2	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	116.3130	0.093	2	115.6727	3.279	15	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	116.2295	0.248	2	115.6727	3.279	15	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	112.9470	0.173	2	115.6727	3.279	15	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	115.1810	0.000	1	115.6727	3.279	15	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	116.2405	2.022	6	115.6727	3.279	15	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.7440	2.621	2	115.6727	3.279	15	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	116.7960	0.406	2	116.7960	0.165	2	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|C<3>,1|N<2>,1|O<2>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(N[6]C[6]2){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	117.1960	0.068	2	117.1960	0.005	2	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	115.2113	0.839	10	115.2113	0.704	10	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(N[6]C[6]2){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	118.3997	1.387	6	118.3997	1.924	6	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<2>,1|C<3>,2|C<4>,5|H<1>}	113.8585	3.013	2	114.2680	2.927	6	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	114.5640	1.870	2	114.2680	2.927	6	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	114.3815	1.235	2	114.2680	2.927	6	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|O<2>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	115.9025	1.258	2	115.9025	1.582	2	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	117.2901	2.243	20	117.2901	5.030	20	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|O<2>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(N[6]C[6]2){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	117.5070	3.277	4	117.5070	10.737	4	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|S<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	114.8773	0.687	8	114.8773	0.472	8	116.3503	4.760	501	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-3:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	114.6980	1.277	3	114.3195	1.660	4	113.7450	2.635	8	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-3:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	113.1840	0.000	1	114.3195	1.660	4	113.7450	2.635	8	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-3:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	112.7287	2.059	3	113.1705	3.608	4	113.7450	2.635	8	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-3:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	114.4960	0.000	1	113.1705	3.608	4	113.7450	2.635	8	116.2921	4.972	596	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH){3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CN[5]O)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	118.6410	0.000	1	118.6410	0.000	1	118.6410	0.000	1	118.6410	0.000	1	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|B<3>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|H<1>,6|C<4>}	114.6530	1.193	4	115.1352	1.498	6	115.4590	1.031	10	115.4590	1.031	10	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|B<4>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|H<1>,6|C<4>}	116.0995	0.658	2	115.1352	1.498	6	115.4590	1.031	10	115.4590	1.031	10	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|C<4>,1|I<1>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6]C[6]2){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	115.9445	0.383	2	115.9445	0.146	2	115.4590	1.031	10	115.4590	1.031	10	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	115.9450	0.256	2	115.9450	0.066	2	115.4590	1.031	10	115.4590	1.031	10	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:2:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	C[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	119.9365	0.466	2	118.8217	3.837	3	117.6898	7.683	4	117.6898	7.683	4	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:2:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	C[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	116.5920	0.000	1	118.8217	3.837	3	117.6898	7.683	4	117.6898	7.683	4	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:2:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	C[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(H)2	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	114.2940	0.000	1	114.2940	0.000	1	117.6898	7.683	4	117.6898	7.683	4	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(C[6a]C[6a]2)(H)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6]){2|C<4>,2|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	123.9030	0.000	1	123.9030	0.000	1	123.9030	0.000	1	116.2572	18.999	6	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){3|H<1>,7|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	115.7670	0.000	1	117.1345	3.740	2	117.1345	3.740	2	116.2572	18.999	6	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){4|H<1>,6|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	118.5020	0.000	1	117.1345	3.740	2	117.1345	3.740	2	116.2572	18.999	6	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]O)(H)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>,5|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>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	114.2190	0.000	1	114.2190	0.000	1	113.1237	0.900	3	116.2572	18.999	6	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:2:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|S<4>,2|H<1>,3|C<4>,4|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	112.5760	0.000	2	112.5760	0.000	2	113.1237	0.900	3	116.2572	18.999	6	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|H<1>,7|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	115.9070	0.000	1	115.9070	0.000	1	114.7700	0.999	3	114.7700	0.999	3	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	114.2015	0.244	2	114.2015	0.060	2	114.7700	0.999	3	114.7700	0.999	3	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:2:	3:3:4:4:	3:3:3:	C[6]-4:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C-4:C-4:	N[6]-3:C[6a]-3:C[6a]-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	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	118.2835	0.803	2	118.2835	0.644	2	118.2835	0.644	2	118.2835	0.644	2	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:Ge[6]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(Ge[6]P[6]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Ge[6])(H)2	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(Ge[6]P[6]Cl){2|C<4>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Ge[6])(H)2{1|Cl<1>,1|H<1>,1|P<4>,4|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|P<4>,2|C<3>,4|H<1>}	114.1900	0.000	1	114.1900	0.000	1	114.1900	0.000	1	114.1900	0.000	1	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5a,6]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(CCl3)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5a,6]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|Cl<1>,2|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(CCl3)(H){1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|H<1>,4|C<3>}	117.0700	0.000	1	117.0700	0.000	1	117.0700	0.000	1	118.1347	3.644	4	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|H<1>,4|C<3>}	119.3680	0.000	1	119.3680	0.000	1	119.7255	0.256	2	118.1347	3.644	4	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(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]C[6])(CCHH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	120.0830	0.000	1	120.0830	0.000	1	119.7255	0.256	2	118.1347	3.644	4	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]HP)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(PO3)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]HP)(C[6]C[6a]N[6])(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]C[6])(PO3)(H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<2>,1|P<4>,3|C<3>,3|H<1>}	116.0180	0.000	1	116.0180	0.000	1	116.0180	0.000	1	118.1347	3.644	4	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:2:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:O[6]-2:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](N[6]C[6a]C[6])(O[6]C[6,6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(O[6]C[6,6])(H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<2>,2|C<3>,6|H<1>}	118.0480	0.000	1	118.0480	0.000	1	117.8500	0.078	2	117.8500	0.078	2	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:2:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:O[6]-2:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<2>,2|C<3>,6|H<1>}	117.6520	0.000	1	117.6520	0.000	1	117.8500	0.078	2	117.8500	0.078	2	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:2:4:3:	3:3:3:	C[3,6]-4:C[6a]-3:C[6]-4:	N[6]-3:N[6]-2:C-4:C-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC)	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO)	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]H)2	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|C<4>,3|H<1>}	121.4210	0.000	1	121.4210	0.000	1	121.4210	0.000	1	121.4210	0.000	1	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[5,6]C[6a])(C[6]C[6,6]H)(H)2	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6,6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	115.2630	0.000	1	115.2630	0.000	1	115.2630	0.000	1	117.1779	3.889	15	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|C<3>,6|H<1>}	111.7010	0.000	1	111.7010	0.000	1	111.7010	0.000	1	117.1779	3.889	15	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<2>,2|C<3>,6|H<1>}	116.8300	0.000	1	116.8300	0.000	1	116.8300	0.000	1	117.1779	3.889	15	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<2>,2|C<3>,6|H<1>}	116.3990	0.000	1	116.3990	0.000	1	116.3990	0.000	1	117.1779	3.889	15	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]N[6]C)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,4|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]C)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	118.6900	0.000	1	118.6900	0.000	1	117.6500	1.015	8	117.1779	3.889	15	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,7|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,3|C<3>,5|H<1>}	117.5014	0.989	7	117.5014	0.979	7	117.6500	1.015	8	117.1779	3.889	15	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](N[6]C[6a]C[6])(N[6]C[5,6]S)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[5,6]S)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	118.4530	0.000	1	118.4530	0.000	1	118.7583	1.839	3	117.1779	3.889	15	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](N[6]C[6a]C[6])2(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){2|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])2(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	118.9110	1.881	2	118.9110	3.538	2	118.7583	1.839	3	117.1779	3.889	15	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:2:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	115.2325	0.713	2	115.2325	0.509	2	115.2325	0.509	2	115.2325	0.509	2	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|C<4>,1|N<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	115.0480	2.189	2	115.0480	4.793	2	115.0480	4.793	2	114.7815	2.219	31	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCC)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCC)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	117.0470	0.000	1	117.0470	0.000	1	117.3600	0.196	2	114.7815	2.219	31	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CNO)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CNO)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	117.6730	0.000	1	117.6730	0.000	1	117.3600	0.196	2	114.7815	2.219	31	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	115.8000	0.000	1	115.8000	0.000	1	115.8000	0.000	1	114.7815	2.219	31	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	114.3047	0.164	3	114.3511	0.378	12	114.3559	1.155	18	114.7815	2.219	31	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	114.3010	0.722	3	114.3511	0.378	12	114.3559	1.155	18	114.7815	2.219	31	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,2|F<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	114.1147	0.375	3	114.3511	0.378	12	114.3559	1.155	18	114.7815	2.219	31	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	114.6840	1.064	3	114.3511	0.378	12	114.3559	1.155	18	114.7815	2.219	31	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|F<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]F)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	114.3540	0.436	2	114.3540	0.190	2	114.3559	1.155	18	114.7815	2.219	31	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	114.2120	0.000	1	114.3715	5.098	4	114.3559	1.155	18	114.7815	2.219	31	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	113.7270	0.000	1	114.3715	5.098	4	114.3559	1.155	18	114.7815	2.219	31	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	117.4690	0.000	1	114.3715	5.098	4	114.3559	1.155	18	114.7815	2.219	31	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	112.0780	0.000	1	114.3715	5.098	4	114.3559	1.155	18	114.7815	2.219	31	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC[6a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC[6a]N)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	114.4500	0.000	1	114.4500	0.000	1	114.4500	0.000	1	114.7815	2.219	31	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,7|C<3>}	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,3|C<3>,5|H<1>}	114.9646	1.994	7	114.9646	3.977	7	114.9646	3.977	7	114.7815	2.219	31	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	118.3940	0.000	1	118.3940	0.000	1	118.6105	0.094	2	119.3710	5.248	9	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCl3)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCl3)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	118.8270	0.000	1	118.8270	0.000	1	118.6105	0.094	2	119.3710	5.248	9	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|F<1>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6]C[6]2H)(H){1|O<1>,1|S<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	116.3640	0.000	1	116.3640	0.000	1	116.3640	0.000	1	119.3710	5.248	9	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[5a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	118.7010	0.000	1	118.7010	0.000	1	118.7010	0.000	1	119.3710	5.248	9	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,4|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	116.2230	0.000	1	116.2230	0.000	1	116.2230	0.000	1	119.3710	5.248	9	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])2(C[6]N[6]2H)(H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])2(C[6]N[6]2H)(H){3|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	122.0915	1.275	2	122.0915	1.625	2	122.0915	1.625	2	119.3710	5.248	9	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]N[6]SiH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])2(SiC[6a]HH)(H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6]N[6]SiH)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])2(SiC[6a]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Si<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.8235	0.829	2	120.8235	0.688	2	120.8235	0.688	2	119.3710	5.248	9	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]HH)(H)2	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|H<1>,5|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	118.7300	0.000	1	118.7300	0.000	1	118.7300	0.000	1	115.8003	6.626	10	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){2|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	117.9630	2.507	2	117.9630	6.287	2	117.9630	6.287	2	115.8003	6.626	10	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]N[5,6]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	117.3820	0.000	1	117.3820	0.000	1	114.7639	4.648	7	115.8003	6.626	10	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	115.1690	0.000	1	115.1690	0.000	1	114.7639	4.648	7	115.8003	6.626	10	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	114.9880	0.000	1	114.9880	0.000	1	114.7639	4.648	7	115.8003	6.626	10	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	112.0525	1.890	2	112.0525	3.572	2	114.7639	4.648	7	115.8003	6.626	10	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]N[6]SiH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	N[6](C[6]N[6]SiH)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Si<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	115.8515	0.424	2	115.8515	0.179	2	114.7639	4.648	7	115.8003	6.626	10	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[5a,6]-3:C[5]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H){1|N<2>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	116.9060	0.000	1	116.9060	0.000	1	116.9060	0.000	1	118.0210	4.025	3	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	116.8200	0.000	1	116.8200	0.000	1	116.8200	0.000	1	118.0210	4.025	3	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6a]C[6])(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,5|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6a]C[6])(H){2|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	120.3370	0.000	1	120.3370	0.000	1	120.3370	0.000	1	118.0210	4.025	3	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	118.2400	0.000	1	118.2400	0.000	1	120.0840	6.801	2	115.8123	6.793	36	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](C[5,6]C[5,6]C[6a]N[5])(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[6a]N[5])(N[6]C[6a]C[6])(H)2{1|C<4>,2|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	121.9280	0.000	1	121.9280	0.000	1	120.0840	6.801	2	115.8123	6.793	36	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6]C[6]2N[6])(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6]2N[6])(N[6]C[6a]C[6])(H)2{1|S<4>,2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	113.9780	0.000	1	113.9780	0.000	1	113.9780	0.000	1	115.8123	6.793	36	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	118.9930	0.000	1	118.9930	0.000	1	115.6090	5.929	33	115.8123	6.793	36	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]N[5a,6]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]N[5a,6]HH)(N[6]C[6a]C[6])(H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|C<3>,6|H<1>}	116.3210	0.000	1	116.3210	0.000	1	115.6090	5.929	33	115.8123	6.793	36	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<2>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	118.1445	0.933	2	116.8807	2.141	6	115.6090	5.929	33	115.8123	6.793	36	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	115.7185	0.868	2	116.8807	2.141	6	115.6090	5.929	33	115.8123	6.793	36	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	116.7790	1.779	2	116.8807	2.141	6	115.6090	5.929	33	115.8123	6.793	36	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,4|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	114.7720	0.000	1	116.6450	7.016	2	115.6090	5.929	33	115.8123	6.793	36	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	118.5180	0.000	1	116.6450	7.016	2	115.6090	5.929	33	115.8123	6.793	36	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	111.2245	0.622	2	111.2245	0.386	2	115.6090	5.929	33	115.8123	6.793	36	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|F<1>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	115.3200	0.000	1	115.3200	0.000	1	115.6090	5.929	33	115.8123	6.793	36	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,5|C<3>,5|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	121.2170	0.000	1	121.2170	0.000	1	115.6090	5.929	33	115.8123	6.793	36	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	115.0370	1.329	9	114.8402	1.801	12	115.6090	5.929	33	115.8123	6.793	36	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	114.2497	1.462	3	114.8402	1.801	12	115.6090	5.929	33	115.8123	6.793	36	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]F)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|F<1>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]F)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	117.2330	0.716	2	117.2330	0.512	2	115.6090	5.929	33	115.8123	6.793	36	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	117.5510	0.000	1	113.9993	10.171	4	115.6090	5.929	33	115.8123	6.793	36	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	112.8153	2.617	3	113.9993	10.171	4	115.6090	5.929	33	115.8123	6.793	36	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	117.6780	0.000	1	117.6780	0.000	1	115.6090	5.929	33	115.8123	6.793	36	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:4:3:	3:3:1:1:	3:3:3:	C[5,6]-4:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	108.9700	0.000	1	108.9700	0.000	1	111.8810	9.601	3	114.0691	10.704	7	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:4:3:	3:3:1:1:	3:3:3:	C[5,6]-4:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	115.1380	0.000	1	115.1380	0.000	1	111.8810	9.601	3	114.0691	10.704	7	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:4:3:	3:3:1:1:	3:3:3:	C[5,6]-4:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	111.5350	0.000	1	111.5350	0.000	1	111.8810	9.601	3	114.0691	10.704	7	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:4:3:	3:3:1:1:	3:3:3:	C[6,6]-4:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C[6a])(H)2	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C[6a])(H)2{1|N<3>,2|H<1>,5|C<3>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,5|H<1>}	118.0160	0.000	1	118.0160	0.000	1	118.0160	0.000	1	114.0691	10.704	7	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:4:3:	3:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]O[6]H)(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]C[6])(H)2{1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<2>,3|C<3>,5|H<1>}	117.8450	0.000	1	117.8450	0.000	1	117.8450	0.000	1	114.0691	10.704	7	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:4:3:	3:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C[6a]-3:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]N[6,6]HH)2(C[6a]C[6a]2)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]N[6,6]HH)2(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{2|C<3>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,6|H<1>}	113.4900	0.393	2	113.4900	0.155	2	113.4900	0.155	2	114.0691	10.704	7	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:4:3:	3:3:2:1:	3:3:3:	C[6]-4:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<2>,3|C<3>,5|H<1>}	117.0060	0.000	1	117.0060	0.000	1	117.0060	0.000	1	117.0060	0.000	1	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C[6a]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	N[6](C[6]C[5,6]HH)2(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	116.9030	0.550	2	116.9030	0.303	2	116.9030	0.303	2	116.9030	0.303	2	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	0:SP3_SP2_SP3	N[6]	C[6]	C[6a]	4:4:3:	4:3:3:1:	3:3:3:	C[6,6]-4:C[6]-4:C[6a]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6]C[6a])(C[6a]C[6a]2)(H)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2){2|C<4>,3|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6]C[6a])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<2>,2|O<1>,3|H<1>,7|C<3>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	115.6770	0.000	1	115.6770	0.000	1	115.6770	0.000	1	115.6770	0.000	1	116.7139	6.096	943	116.4937	6.711	1070
856	466	643	6:SP2_SP2_SP3	N[3x6]	C[6]	C[3x6,6a]	3:5:4:	3:4:1:1:	3:3:3:	C[3x6,6a]-3:C[4,4,6,6]-5:C[6]-4:	N[3x6]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:N[3x6]-3:C[6,6a]-3:	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[3x6,6a](C[6,6,6a]C[4,4,6,6]C[6a])(N[3x6]C[4,4,6,6]C[6])(C[6,6a]C[6a,6a]C[6])	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[3x6,6a](C[6,6,6a]C[4,4,6,6]C[6a])(N[3x6]C[4,4,6,6]C[6])(C[6,6a]C[6a,6a]C[6]){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	119.8080	0.000	1	119.8080	0.000	1	119.8080	0.000	1	119.8080	0.000	1	119.8080	0.000	1	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[3x6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6a,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH)	C[3x6](N[6,6]C[6,6a]C[6])2(N[6,6]C[6]2)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	C[3x6](N[6,6]C[6,6a]C[6])2(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	116.9820	0.000	1	116.9820	0.000	1	116.9820	0.000	1	116.9820	0.000	1	113.5400	23.695	2	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6a]	4:3:4:	3:3:3:1:	3:3:3:	C[3x6]-4:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[3x6]-3:N[6,6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H)	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN){1|C<4>,1|H<1>,6|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H){2|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H){3|C<3>,3|N<3>,5|H<1>}	110.0980	0.000	1	110.0980	0.000	1	110.0980	0.000	1	110.0980	0.000	1	113.5400	23.695	2	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6,6a]	4:3:4:	3:3:4:1:	3:3:3:	C[6,6]-4:C[6,6,6a]-3:C[6]-4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)	C[6,6](N[6,6]C[6,6,6a]C[6])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]CH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6,6a]C[6])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	122.5910	0.000	1	122.5910	0.000	1	122.5910	0.000	1	122.5910	0.000	1	122.5910	0.000	1	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]O[6]H)	C[6,6](N[6,6]C[6,6a]2)(C[6]C[6]H)(O[6]C[6])(H)	C[6,6a](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]O[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6a]2)(C[6]C[6]H)(O[6]C[6])(H){2|H<1>,5|C<3>}	C[6,6a](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	119.7870	0.000	1	115.2515	41.142	2	115.2515	41.142	2	115.2515	41.142	2	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]O[6]H)	C[6,6](N[6,6]C[6,6a]2)(C[6]C[6]H)(O[6]C[6])(H)	C[6,6a](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]O[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6a]2)(C[6]C[6]H)(O[6]C[6])(H){2|H<1>,5|C<3>}	C[6,6a](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	110.7160	0.000	1	115.2515	41.142	2	115.2515	41.142	2	115.2515	41.142	2	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6,6]-4:	N[6,6]-3:C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H){1|N<3>,3|H<1>,6|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]C)(H){1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){4|H<1>,5|C<3>}	117.7210	1.092	2	117.7210	1.192	2	117.7210	1.192	2	117.7210	1.192	2	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	119.6890	0.000	1	119.6890	0.000	1	119.6890	0.000	1	120.5420	0.718	3	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,6|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	121.3830	0.000	1	120.9685	0.344	2	120.9685	0.344	2	120.5420	0.718	3	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6]){1|C<4>,3|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	120.5540	0.000	1	120.9685	0.344	2	120.9685	0.344	2	120.5420	0.718	3	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[3]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[3]N[6]){2|C<4>,3|H<1>,5|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]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	112.0070	0.000	1	112.0070	0.000	1	111.7985	0.087	2	111.7985	0.087	2	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(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]C[6,6a]C[6])(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6]){1|H<1>,1|I<1>,1|N<3>,7|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)(H){1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	111.5900	0.000	1	111.5900	0.000	1	111.7985	0.087	2	111.7985	0.087	2	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	N[6,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2S[6])(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]O){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2S[6])(O[6]C[6,6a])(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	123.4725	0.078	2	123.4725	0.006	2	123.4725	0.006	2	119.5200	46.870	3	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	N[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	111.6150	0.000	1	111.6150	0.000	1	111.6150	0.000	1	119.5200	46.870	3	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:3:	3:4:2:4:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	N[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	113.2010	0.000	1	113.2010	0.000	1	113.2010	0.000	1	113.2010	0.000	1	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:3:	3:4:3:2:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:O-2:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]N)(C[6]N[6]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]N)(C[6]N[6]O)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	114.4890	0.000	1	114.4890	0.000	1	114.6325	0.041	2	114.6325	0.041	2	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:3:	3:4:3:2:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:O-2:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]O)(C[6]N[6]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]O)(C[6]N[6]O)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	114.7760	0.000	1	114.7760	0.000	1	114.6325	0.041	2	114.6325	0.041	2	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[3,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6]C[6]H)(C[6]C[6a]C[6])	C[6,6](C[3,6]C[3,6]C[3]H)(N[6,6]C[6,6a]C[6])(C[6]N[6]HH)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6]C[6]H)(C[6]C[6a]C[6]){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[3,6]C[3,6]C[3]H)(N[6,6]C[6,6a]C[6])(C[6]N[6]HH)(H){1|S<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	118.3890	0.000	1	118.3890	0.000	1	118.3890	0.000	1	118.3890	0.000	1	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6a]C[6,6a]2)(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])2(N[6,6]C[6,6]C[6])	N[6,6](C[6,6a]C[6,6a]2)(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])2(N[6,6]C[6,6]C[6]){2|C<3>,4|N<3>,8|H<1>}	110.4727	0.358	12	110.4727	0.128	12	110.4727	0.128	12	110.6384	0.172	86	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH){1|C<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	110.5100	0.000	1	110.5100	0.000	1	110.6619	0.177	73	110.6384	0.172	86	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,7|H<1>}	111.3990	0.000	1	111.3990	0.000	1	110.6619	0.177	73	110.6384	0.172	86	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a,6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a,6a]H){1|N<3>,3|C<3>,7|H<1>}	110.5440	0.000	1	110.5440	0.000	1	110.6619	0.177	73	110.6384	0.172	86	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Br<1>,1|C<4>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br){1|N<3>,2|C<3>,8|H<1>}	110.7725	0.179	6	110.7725	0.032	6	110.6619	0.177	73	110.6384	0.172	86	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|F<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]F){1|N<3>,2|C<3>,2|F<1>,6|H<1>}	111.1190	0.000	1	111.1190	0.000	1	110.6619	0.177	73	110.6384	0.172	86	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,7|H<1>}	110.7550	0.437	2	110.6931	0.169	45	110.6619	0.177	73	110.6384	0.172	86	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	110.6903	0.415	43	110.6931	0.169	45	110.6619	0.177	73	110.6384	0.172	86	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5]){1|N<3>,4|C<3>,8|H<1>}	110.5757	0.244	8	110.5757	0.059	8	110.6619	0.177	73	110.6384	0.172	86	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5a])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5a]){1|N<3>,4|C<3>,8|H<1>}	110.7180	0.052	4	110.7180	0.003	4	110.6619	0.177	73	110.6384	0.172	86	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]S)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|S<3>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]S){1|N<3>,2|C<3>,8|H<1>}	110.0648	0.875	4	110.0648	0.765	4	110.6619	0.177	73	110.6384	0.172	86	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Se)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Se<2>,1|C<4>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Se){1|N<3>,2|C<3>,8|H<1>}	110.5905	0.080	2	110.5905	0.006	2	110.6619	0.177	73	110.6384	0.172	86	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6]){1|N<3>,4|C<3>,8|H<1>}	110.9170	0.000	1	110.9170	0.000	1	110.9170	0.000	1	110.6384	0.172	86	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	117.9920	0.000	1	117.9920	0.000	1	117.9920	0.000	1	117.9920	0.000	1	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	110.9560	0.000	1	110.9560	0.000	1	110.9560	0.000	1	114.1613	2.803	6	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	114.4435	0.844	2	114.6333	0.464	3	114.8024	0.422	5	114.1613	2.803	6	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	115.0130	0.000	1	114.6333	0.464	3	114.8024	0.422	5	114.1613	2.803	6	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	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)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|N<3>,3|H<1>,5|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>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	114.5340	0.000	1	114.5340	0.000	1	114.8024	0.422	5	114.1613	2.803	6	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]S[6]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|S<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]S[6]H)(H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,5|H<1>}	115.5780	0.000	1	115.5780	0.000	1	114.8024	0.422	5	114.1613	2.803	6	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	116.7705	0.095	2	116.7705	0.009	2	116.7705	0.009	2	116.7705	0.009	2	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a])	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2C)(H)2{1|C<3>,1|C<4>,1|N<2>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a]){2|C<4>,3|C<3>,6|H<1>}	111.9890	0.000	1	111.9890	0.000	1	111.9890	0.000	1	111.9890	0.000	1	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	119.0970	0.000	1	119.0970	0.000	1	119.0970	0.000	1	120.1208	1.811	4	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(C[6]O[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,2|N<3>,2|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	118.8280	0.000	1	118.8280	0.000	1	118.8280	0.000	1	120.1208	1.811	4	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	121.4000	0.000	1	121.4000	0.000	1	121.2790	0.029	2	120.1208	1.811	4	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]O[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,6|H<1>}	121.1580	0.000	1	121.1580	0.000	1	121.2790	0.029	2	120.1208	1.811	4	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]N[6]HH)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(N[6,6]C[6,6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]N[6]HH){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(N[6,6]C[6,6a]C[6])(H)2{1|N<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,7|H<1>}	113.0480	0.000	1	113.0480	0.000	1	113.0480	0.000	1	112.6295	0.350	2	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<4>,2|C<3>,8|H<1>}	112.2110	0.000	1	112.2110	0.000	1	112.2110	0.000	1	112.6295	0.350	2	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6]-3:	C[5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]O)	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]O){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	112.4020	0.000	1	112.4020	0.000	1	112.4020	0.000	1	112.4020	0.000	1	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	4:3:4:	3:3:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,3|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(H){1|C<4>,1|O<2>,2|O<1>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	117.8620	0.000	1	117.8620	0.000	1	117.8620	0.000	1	117.8620	0.000	1	112.2499	10.621	120	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6]HH)(H)2	C[6,6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	N[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<4>,4|C<3>,5|H<1>}	117.7995	1.066	2	117.7995	1.136	2	117.7995	1.136	2	117.9055	2.453	11	121.1350	4.228	104	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]C)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2{1|C<4>,4|C<3>}	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	115.3840	0.000	1	115.3840	0.000	1	117.4295	0.771	8	117.9055	2.453	11	121.1350	4.228	104	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	117.7060	0.000	1	117.7217	0.102	7	117.4295	0.771	8	117.9055	2.453	11	121.1350	4.228	104	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<4>,4|C<3>,5|H<1>}	117.7243	0.350	6	117.7217	0.102	7	117.4295	0.771	8	117.9055	2.453	11	121.1350	4.228	104	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6,6a]C[6,6a]N[6,6a])(C[6]C[6]HH)(C[6]N[6]O)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(N[6,6]C[6]2)	N[6,6](C[6,6,6a]C[6,6a]N[6,6a])(C[6]C[6]HH)(C[6]N[6]O){2|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<4>,2|N<3>,2|O<1>,2|S<1>,4|H<1>}	121.9260	0.000	1	121.9260	0.000	1	121.9260	0.000	1	117.9055	2.453	11	121.1350	4.228	104	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[5,6]HH)2	C[6](N[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6,6a](C[6,6a]C[5,6]C[6a])2(N[6,6]C[6]2)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[5,6]HH)2{2|C<3>,2|H<1>,4|C<4>}	C[6](N[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6,6a](C[6,6a]C[5,6]C[6a])2(N[6,6]C[6]2){1|C<3>,2|C<4>,2|O<2>,8|H<1>}	117.7980	0.471	2	117.7980	0.222	2	117.7980	0.222	2	121.5167	3.106	92	121.1350	4.228	104	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6,6a,6a]-3:N[6,6]-3:	N[6,6](C[6,6,6a]C[6,6a,6a]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])2(N[6,6]C[6]2)	N[6,6](C[6,6,6a]C[6,6a,6a]2)(C[6]C[6]HH)2{4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])2(N[6,6]C[6]2){2|C<4>,4|H<1>,5|C<3>}	115.8265	0.131	2	115.8265	0.017	2	115.8265	0.017	2	121.5167	3.106	92	121.1350	4.228	104	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	119.8130	1.953	6	119.8130	3.815	6	121.7306	2.137	88	121.5167	3.106	92	121.1350	4.228	104	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	122.1787	0.824	44	122.2668	0.830	48	121.7306	2.137	88	121.5167	3.106	92	121.1350	4.228	104	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	123.2368	1.379	4	122.2668	0.830	48	121.7306	2.137	88	121.5167	3.106	92	121.1350	4.228	104	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2){10|H<1>,1|C<3>,2|C<4>}	120.5320	1.368	8	121.3119	2.607	34	121.7306	2.137	88	121.5167	3.106	92	121.1350	4.228	104	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	121.0662	1.287	20	121.3119	2.607	34	121.7306	2.137	88	121.5167	3.106	92	121.1350	4.228	104	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	123.1705	1.714	6	121.3119	2.607	34	121.7306	2.137	88	121.5167	3.106	92	121.1350	4.228	104	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6,6a]	4:3:4:	3:3:4:1:	3:3:3:	C[6,6]-4:C[6,6,6a]-3:C[6]-4:	N[6,6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)	C[6](N[6,6]C[6,6,6a]C[6,6])(C[6]C[6]H)(CH3)(H)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]CH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6,6a]C[6,6])(C[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	121.5400	0.000	1	121.5400	0.000	1	121.5400	0.000	1	121.5400	0.000	1	121.1350	4.228	104	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|Br<1>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,7|H<1>}	113.5420	0.000	1	113.5420	0.000	1	113.5420	0.000	1	113.0070	0.572	2	113.0070	0.572	2	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6]){1|N<3>,4|C<3>,8|H<1>}	112.4720	0.000	1	112.4720	0.000	1	112.4720	0.000	1	113.0070	0.572	2	113.0070	0.572	2	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	3:2:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	N[6]-3:O[6,6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)	C[6,6](N[6]C[6,6a]H)(O[6,6]C[3x6])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6]C[6,6a]H)(O[6,6]C[3x6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	115.4580	0.000	1	115.4580	0.000	1	115.4580	0.000	1	115.4580	0.000	1	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-3:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(O[6]C[6])(H){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	122.6765	0.592	2	122.6765	0.350	2	122.6765	0.350	2	122.6765	0.350	2	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6]-3:N[6]-3:N[6]-3:C[6]-3:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6](C[6]C[6,6a]O)(N[6]C[6,6a]H)2(C[6]C[6]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|O<1>,3|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]O)(N[6]C[6,6a]H)2(C[6]C[6]H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|H<1>,1|N<3>,5|C<3>}	121.5140	0.000	1	121.5140	0.000	1	121.5140	0.000	1	121.5140	0.000	1	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	N[6,6]-3:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)	C[6,6](N[6,6]C[5,6]C[6])(N[6]C[6,6a]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H){2|C<4>,3|C<3>,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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.2350	0.000	1	122.2350	0.000	1	122.2350	0.000	1	122.2350	0.000	1	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:N[6]-3:C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	125.1390	0.000	1	125.1390	0.000	1	125.1390	0.000	1	125.1390	0.000	1	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	3:4:4:3:	3:3:2:	C[6,6a]-3:C[6,6]-4:H-1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	126.2000	0.000	2	126.2000	0.000	2	126.2000	0.000	2	126.2000	0.000	2	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	3:4:4:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|C<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	119.4810	0.000	1	119.4810	0.000	1	119.4810	0.000	1	119.4810	0.000	1	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	4:3:2:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H){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]H)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	121.2350	0.000	1	121.6037	0.115	3	121.6037	0.115	3	121.6037	0.115	3	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	4:3:2:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H){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]H)(O[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>}	121.7880	0.160	2	121.6037	0.115	3	121.6037	0.115	3	121.6037	0.115	3	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	4:3:2:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.2750	0.000	1	118.2750	0.000	1	118.8930	0.764	2	118.8930	0.764	2	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	4:3:2:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6,6]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.5110	0.000	1	119.5110	0.000	1	118.8930	0.764	2	118.8930	0.764	2	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	4:3:2:4:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(CCHH){6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9342	1.564	6	120.9342	2.445	6	119.9774	3.744	9	119.9774	3.744	9	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	4:3:2:4:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(CH3){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.5195	0.067	2	118.5195	0.005	2	119.9774	3.744	9	119.9774	3.744	9	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	4:3:2:4:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(CH3){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.1530	0.000	1	117.1530	0.000	1	119.9774	3.744	9	119.9774	3.744	9	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	C[4x6]-4:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4x6]N[6]H)(H)	C[6,6](C[4x6]C[6,6a]C[4x6]C[6])(N[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4x6]N[6]H)(H){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[4x6]C[6,6a]C[4x6]C[6])(N[6]C[6,6a]H)(N[6]C[6]C)(H){3|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	121.8920	0.479	2	121.8920	0.230	2	121.8920	0.230	2	121.8920	0.230	2	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.9963	0.369	3	121.9963	0.136	3	119.6573	21.976	4	119.6573	21.976	4	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(C[6]C[6]HO)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H){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]H)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H){1|C<3>,2|C<4>,3|H<1>}	112.6400	0.000	1	112.6400	0.000	1	119.6573	21.976	4	119.6573	21.976	4	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	4:3:4:4:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:N[6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(N[6]C[6,6]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.3720	0.000	1	122.3720	0.000	1	122.6450	0.149	2	120.8313	9.943	3	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	4:3:4:4:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:N[6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.9180	0.000	1	122.9180	0.000	1	122.6450	0.149	2	120.8313	9.943	3	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	4:3:4:4:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6]-4:N[6]-3:C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)	C[6,6](C[6]N[6]O[6]H)(N[6]C[6,6a]H)(C[6]C[6]HH)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]N[6]O[6]H)(N[6]C[6,6a]H)(C[6]C[6]HH)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	117.2040	0.000	1	117.2040	0.000	1	117.2040	0.000	1	120.8313	9.943	3	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6]HO)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H){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)(C[6]C[6,6]HO)(N[6]C[6,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H){2|C<3>,2|C<4>,2|H<1>}	120.3400	0.000	1	120.3400	0.000	1	120.3400	0.000	1	120.3400	0.000	1	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-3:	N[6,6]-3:N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	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[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	114.7135	0.069	2	114.7135	0.005	2	114.7135	0.005	2	114.7135	0.005	2	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-3:	N[6]-3:C[6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,3|H<1>,4|C<4>}	118.3060	0.000	1	118.3060	0.000	1	118.3060	0.000	1	118.3060	0.000	1	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:3:	4:3:2:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	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[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]C)(N[6a]C[6a])	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[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]C)(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	115.7310	0.000	1	115.7310	0.000	1	115.7310	0.000	1	115.7310	0.000	1	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]C)	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[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]C){1|C<3>,2|H<1>,3|C<4>}	113.9605	0.194	2	113.9605	0.038	2	115.0433	3.536	3	115.0433	3.536	3	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,2|C<4>,5|H<1>}	117.2090	0.000	1	117.2090	0.000	1	115.0433	3.536	3	115.0433	3.536	3	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:4:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-3:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]C)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]C)(O[6]C[6,6a])(H){2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	118.8090	0.000	1	118.8090	0.000	1	118.8090	0.000	1	120.6880	2.708	3	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:4:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-4:	N[6]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(CH3)	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	121.6275	0.347	2	121.6275	0.121	2	121.6275	0.121	2	120.6880	2.708	3	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:4:	3:3:3:3:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[3]-4:	N[6]-3:C[6]-3:N[6]-3:N[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6]2)(C[3]C[3]2H)	C[6,6](N[6]C[6,6a]C[3])(C[6]C[6]O)(N[6]C[6]H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]C[3])(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6]2)(C[3]C[3]2H){1|O<1>,5|C<3>,6|H<1>}	C[6,6](N[6]C[6,6a]C[3])(C[6]C[6]O)(N[6]C[6]H)2{1|H<1>,1|N<2>,2|C<3>,2|O<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]C[3])(N[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|N<3>,3|H<1>}	115.2280	0.000	1	115.2280	0.000	1	115.2280	0.000	1	115.2280	0.000	1	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-4:	N[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(CN[5]HH)	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(CN[5]HH){2|C<4>,3|C<3>,3|H<1>}	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	120.7370	0.000	1	120.7370	0.000	1	120.7370	0.000	1	120.7370	0.000	1	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-4:	N[6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CC[6a]HH)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	119.8340	0.000	1	119.8340	0.000	1	119.8340	0.000	1	119.8340	0.000	1	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6]-4:N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	112.5180	0.109	2	112.5313	0.006	3	112.5313	0.006	3	112.5313	0.006	3	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6]-4:N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	112.5580	0.000	1	112.5313	0.006	3	112.5313	0.006	3	112.5313	0.006	3	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]HH)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]HH){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){2|C<3>,2|C<4>,4|H<1>}	122.5630	0.000	1	122.5630	0.000	1	119.4993	2.536	7	118.9151	3.835	9	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	120.5950	0.000	1	120.5950	0.000	1	119.4993	2.536	7	118.9151	3.835	9	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	118.6674	0.541	5	118.6674	0.292	5	119.4993	2.536	7	118.9151	3.835	9	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|S<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	118.4060	0.000	1	116.8705	4.716	2	116.8705	4.716	2	118.9151	3.835	9	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,2|H<1>,3|C<4>}	115.3350	0.000	1	116.8705	4.716	2	116.8705	4.716	2	118.9151	3.835	9	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:4:	4:4:3:4:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-4:	C[6]-4:C[6,6]-4:N[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(N[6]C[6,6a]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3){3|H<1>,6|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(N[6]C[6,6a]C)(CH3){2|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	117.8170	0.000	2	117.8170	0.000	2	117.8170	0.000	2	117.8170	0.000	2	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	4:3:1:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:N[3x6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[3x6])(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[3x6])(N[6]C[6,6a]H)(H){1|N<3>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<3>,2|N<3>,4|H<1>}	114.8200	0.253	2	114.8200	0.064	2	114.8200	0.064	2	115.5120	1.469	3	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	4:3:1:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<3>,2|N<3>,4|H<1>}	116.8960	0.000	1	116.8960	0.000	1	116.8960	0.000	1	115.5120	1.469	3	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[3x6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6]C[6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(N[6]C[6,6a]H)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	122.8990	0.000	1	122.8990	0.000	1	122.8990	0.000	1	118.6347	10.688	4	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){2|H<1>,3|C<3>,3|C<4>}	118.1810	1.484	2	118.1810	2.201	2	117.2133	3.910	3	118.6347	10.688	4	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|O<2>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(N[6]C[6,6a]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|C<3>,3|H<1>}	115.2780	0.000	1	115.2780	0.000	1	117.2133	3.910	3	118.6347	10.688	4	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	4:3:1:	3:4:3:2:	3:3:3:	C[6,6]-4:C[6,6a]-3:H-1:	C[5a]-3:C[6,6]-4:N[6]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[5a]C[5a]O[5a])(C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[6,6](C[5a]C[5a]O[5a])(C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(O[6]C[6,6a]){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	123.0590	0.000	1	123.0590	0.000	1	123.0590	0.000	1	123.0590	0.000	1	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	4:3:1:	4:3:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6,6]H)	N[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6,6]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	124.2070	0.000	1	124.2070	0.000	1	124.2070	0.000	1	124.2070	0.000	1	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	4:3:1:	4:3:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6]-4:N[6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6,6a]2)(H)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6,6]H)	N[6](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6,6a]2)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6,6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	123.7270	0.000	1	123.7270	0.000	1	123.7270	0.000	1	123.7270	0.000	1	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){2|C<3>,2|N<3>,4|H<1>}	116.8050	0.266	2	116.8050	0.071	2	116.8050	0.071	2	116.8050	0.071	2	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	4:3:4:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:S-4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6,6a]S)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]S)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6,6a]S)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]S){2|C<3>,2|C<4>,4|H<1>}	116.0180	1.515	2	116.0180	2.294	2	116.0180	2.294	2	116.0180	2.294	2	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	4:3:4:	4:3:3:2:	3:3:3:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HH)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HH){1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.9540	0.000	1	121.9540	0.000	1	122.5410	0.607	3	122.5410	0.607	3	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	4:3:4:	4:3:3:2:	3:3:3:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3){1|H<1>,3|C<4>,5|C<3>}	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){1|N<3>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	123.4250	0.000	1	123.4250	0.000	1	122.5410	0.607	3	122.5410	0.607	3	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	4:3:4:	4:3:3:2:	3:3:3:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	122.2440	0.000	1	122.2440	0.000	1	122.5410	0.607	3	122.5410	0.607	3	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	4:3:4:	4:3:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C-4:	C[5,6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]HH)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,3|H<1>,4|C<4>}	118.1750	0.000	1	118.1750	0.000	1	118.1750	0.000	1	118.1750	0.000	1	119.2648	11.290	78	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,4|C<3>,5|H<1>}	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	116.1330	0.000	1	116.1330	0.000	1	118.6613	4.837	3	118.6613	4.837	3	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6,6a]C[6a])(C[6]P[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|P<4>,4|C<3>,5|H<1>}	C[6](N[6]C[6,6a]C[6a])(C[6]P[6]HH)(H)2{6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	120.1330	0.000	1	119.9255	0.086	2	118.6613	4.837	3	118.6613	4.837	3	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6,6a]C[6a])(C[6]P[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|P<4>,4|C<3>,5|H<1>}	C[6](N[6]C[6,6a]C[6a])(C[6]P[6]HH)(H)2{6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	119.7180	0.000	1	119.9255	0.086	2	118.6613	4.837	3	118.6613	4.837	3	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC){1|C<4>,4|C<3>,5|H<1>}	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(CH3){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	122.1840	0.000	1	122.1840	0.000	1	122.1840	0.000	1	122.1840	0.000	1	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:2:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-2:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(N[6]N[6])(CF3)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]N[6])(CF3)2{1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	118.9820	1.061	2	118.9820	1.125	2	118.9820	1.125	2	120.4725	3.697	4	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:2:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:O-1:	N[6]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6a]-3: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	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6]O)	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>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	121.9630	1.039	2	121.9630	1.080	2	121.9630	1.080	2	120.4725	3.697	4	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:H-1:H-1:	N[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|O<1>,3|C<3>,4|H<1>}	126.5530	0.000	1	126.5530	0.000	1	126.5530	0.000	1	122.6059	2.841	13	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|N<3>,2|O<1>,3|H<1>}	122.2770	1.251	12	122.2770	1.565	12	122.2770	1.565	12	122.6059	2.841	13	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	115.2080	0.000	1	116.8215	5.207	2	116.8215	5.207	2	115.5955	3.975	4	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	118.4350	0.000	1	116.8215	5.207	2	116.8215	5.207	2	115.5955	3.975	4	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H){1|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|F<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	114.3695	0.839	2	114.3695	0.704	2	114.3695	0.704	2	115.5955	3.975	4	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:2:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(CH3){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	118.7300	0.000	1	118.7300	0.000	1	118.7300	0.000	1	118.7300	0.000	1	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5]-3:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6,6a]H)(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H){1|H<1>,2|N<3>,4|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6,6a]H)(N[6]C[6]N)(H){1|Fe<6>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	118.9680	0.161	2	118.9680	0.026	2	118.9680	0.026	2	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H){1|H<1>,1|N<3>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){3|H<1>,4|C<3>}	115.5540	0.000	1	118.4896	7.997	5	118.4896	7.997	5	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H){1|H<1>,1|N<3>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){3|H<1>,4|C<3>}	119.2235	2.659	4	118.4896	7.997	5	118.4896	7.997	5	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(N[6]C[6,6a]H)(H){1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	116.8540	0.000	1	116.8540	0.000	1	116.8540	0.000	1	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	119.6480	0.000	1	119.6480	0.000	1	119.6480	0.000	1	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Br<1>,2|H<1>,3|C<3>}	117.4560	0.000	1	117.6490	0.074	2	117.6490	0.074	2	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	117.8420	0.000	1	117.6490	0.074	2	117.6490	0.074	2	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,2|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	117.5800	1.393	2	117.5800	1.940	2	117.5800	1.940	2	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5,6]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[5a]H)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[5a]H)(H){1|H<1>,1|O<2>,5|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<3>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	117.6830	0.000	1	117.6830	0.000	1	117.6830	0.000	1	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H){1|H<1>,1|N<2>,5|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<3>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	121.5780	0.000	1	121.5780	0.000	1	121.5780	0.000	1	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	118.7270	0.282	3	118.7270	0.079	3	122.0458	20.698	5	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H){1|H<1>,6|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	127.0240	0.161	2	127.0240	0.026	2	122.0458	20.698	5	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[5a]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[5a]H)(H){1|H<1>,1|S<2>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<2>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	122.9440	5.162	2	122.9440	26.645	2	122.9440	26.645	2	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	123.4030	0.000	1	123.4030	0.000	1	122.2044	1.190	7	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,1|N<2>,5|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	120.5870	0.000	1	120.5870	0.000	1	122.2044	1.190	7	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,2|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	121.9220	0.000	1	122.2882	0.764	5	122.2044	1.190	7	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|F<1>,1|H<1>,1|N<2>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	122.1990	0.000	1	122.2882	0.764	5	122.2044	1.190	7	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	122.2340	0.000	1	122.2882	0.764	5	122.2044	1.190	7	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	122.5430	1.667	2	122.2882	0.764	5	122.2044	1.190	7	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a]H)(H){1|H<1>,6|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	118.2800	0.000	1	118.2800	0.000	1	118.2800	0.000	1	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|Br<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]2)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	119.9620	0.000	1	119.9620	0.000	1	119.2688	5.981	13	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	118.4820	0.000	1	118.3309	3.448	8	119.2688	5.981	13	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	116.8165	0.776	2	118.3309	3.448	8	119.2688	5.981	13	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	122.0890	0.000	1	118.3309	3.448	8	119.2688	5.981	13	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	117.3110	0.626	2	118.3309	3.448	8	119.2688	5.981	13	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	118.9105	1.286	2	118.3309	3.448	8	119.2688	5.981	13	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,1|O<1>,5|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>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.3480	0.000	1	118.3480	0.000	1	119.2688	5.981	13	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H){2|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	118.3350	0.000	1	118.3350	0.000	1	119.2688	5.981	13	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|S<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]H)(H){1|H<1>,1|O<2>,3|C<3>,3|O<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	123.6015	0.924	2	123.6015	0.854	2	119.2688	5.981	13	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	117.7030	0.000	1	118.7735	2.292	2	119.6982	3.064	5	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	119.8440	0.000	1	118.7735	2.292	2	119.6982	3.064	5	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|Pd<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	119.3750	1.348	2	120.3147	3.557	3	119.6982	3.064	5	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	122.1940	0.000	1	120.3147	3.557	3	119.6982	3.064	5	119.9046	7.894	48	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:3:	3:2:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6a]2C[6])(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6a]2C[6])(H){1|H<1>,7|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)2(C[6]C[6]H){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(N[6]C[6]H){1|O<1>,6|C<3>}	122.5890	0.000	1	122.5890	0.000	1	122.5890	0.000	1	122.5890	0.000	1	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5a]-3:N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)(H)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(COO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(COO){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6]H){2|H<1>,4|C<3>}	115.0310	0.000	1	115.0310	0.000	1	115.0310	0.000	1	118.3882	17.274	6	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-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)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(H){1|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,6|C<3>}	113.4900	0.000	1	113.4900	0.000	1	113.4900	0.000	1	118.3882	17.274	6	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(H)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(H){1|H<1>,1|N<2>,7|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)2{4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,4|C<3>}	117.4930	0.000	1	117.4930	0.000	1	117.4930	0.000	1	118.3882	17.274	6	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:3:	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:	C[6,6a]-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	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]O)	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>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]O){2|H<1>,5|C<3>}	117.7230	0.000	1	117.7230	0.000	1	117.7230	0.000	1	118.3882	17.274	6	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:O-1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-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)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	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>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|N<2>,2|H<1>,4|C<3>}	122.3770	0.000	1	122.3770	0.000	1	123.2960	1.689	2	118.3882	17.274	6	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:O-1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-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)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	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>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){2|H<1>,5|C<3>}	124.2150	0.000	1	124.2150	0.000	1	123.2960	1.689	2	118.3882	17.274	6	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|N<2>,6|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CCHH){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	120.0820	0.000	1	120.0820	0.000	1	120.0820	0.000	1	119.8507	2.234	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5,6]-3:C[6a]-3:N[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]C)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]C)(H){1|H<1>,1|N<2>,5|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3){1|H<1>,1|N<3>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	120.2020	0.000	1	120.2020	0.000	1	120.2020	0.000	1	119.8507	2.234	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H){1|H<1>,1|N<2>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3){1|H<1>,1|N<2>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	118.0880	0.000	1	118.0880	0.000	1	118.0880	0.000	1	119.8507	2.234	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[6]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CF3)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H){1|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CF3){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.3840	0.000	1	122.3840	0.000	1	122.3840	0.000	1	119.8507	2.234	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|C<2>,1|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	120.0180	0.000	1	120.1155	0.019	2	120.1155	0.019	2	119.8507	2.234	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|C<2>,1|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	120.2130	0.000	1	120.1155	0.019	2	120.1155	0.019	2	119.8507	2.234	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:N[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H){2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	117.9680	0.000	1	117.9680	0.000	1	117.9680	0.000	1	119.8507	2.234	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:2:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	122.6200	0.000	1	122.6200	0.000	1	122.6200	0.000	1	122.6200	0.000	1	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.2620	0.000	1	121.7880	0.396	3	119.8586	9.560	18	120.2681	9.266	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	122.0280	0.000	1	121.7880	0.396	3	119.8586	9.560	18	120.2681	9.266	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	121.0740	0.000	1	121.7880	0.396	3	119.8586	9.560	18	120.2681	9.266	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]FF)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,2|F<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]FF)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	124.3290	0.000	1	124.3290	0.000	1	119.8586	9.560	18	120.2681	9.266	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	117.7155	2.963	2	118.4636	4.079	8	119.8586	9.560	18	120.2681	9.266	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	120.2990	0.000	1	118.4636	4.079	8	119.8586	9.560	18	120.2681	9.266	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	118.0110	0.000	1	118.4636	4.079	8	119.8586	9.560	18	120.2681	9.266	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	120.5280	0.000	1	118.4636	4.079	8	119.8586	9.560	18	120.2681	9.266	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	115.6570	0.000	1	118.4636	4.079	8	119.8586	9.560	18	120.2681	9.266	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	120.0250	0.000	1	118.4636	4.079	8	119.8586	9.560	18	120.2681	9.266	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	117.7580	0.000	1	118.4636	4.079	8	119.8586	9.560	18	120.2681	9.266	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	121.1080	0.000	1	121.1080	0.000	1	119.8586	9.560	18	120.2681	9.266	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	116.5050	1.327	2	116.8583	1.254	3	119.8586	9.560	18	120.2681	9.266	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|O<2>,2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	117.5650	0.000	1	116.8583	1.254	3	119.8586	9.560	18	120.2681	9.266	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|S<2>,2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H){1|Cl<1>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	127.1800	0.000	1	124.1850	17.940	2	119.8586	9.560	18	120.2681	9.266	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|S<2>,2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	121.1900	0.000	1	124.1850	17.940	2	119.8586	9.560	18	120.2681	9.266	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	118.2800	0.000	1	118.2800	0.000	1	121.7422	6.864	5	120.2681	9.266	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CClHH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CClHH)(H){2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	121.5470	0.000	1	121.5470	0.000	1	121.7422	6.864	5	120.2681	9.266	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CHHS)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CHHS)(H){2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	121.0180	0.000	1	121.0180	0.000	1	121.7422	6.864	5	120.2681	9.266	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CC[6a]HH)(H){2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	125.5620	0.000	1	125.5620	0.000	1	121.7422	6.864	5	120.2681	9.266	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CCl2H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CCl2H)(H){2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	122.3040	0.000	1	122.3040	0.000	1	121.7422	6.864	5	120.2681	9.266	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:3:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)(COO)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)(COO){5|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	119.8230	0.000	1	119.8230	0.000	1	119.8230	0.000	1	119.3458	0.788	5	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:3:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO){3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	119.9160	0.870	2	119.2265	0.956	4	119.2265	0.956	4	119.3458	0.788	5	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:3:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO){3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|O<2>,4|C<3>}	118.2130	0.000	1	119.2265	0.956	4	119.2265	0.956	4	119.3458	0.788	5	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:3:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO){3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<4>,4|C<3>}	118.8610	0.000	1	119.2265	0.956	4	119.2265	0.956	4	119.3458	0.788	5	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:4:	3:2:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CCHH)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]CC)(H){1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CCHH)2{1|C<3>,1|N<2>,1|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|H<1>,1|N<2>,1|O<1>,2|C<4>,2|N<3>}	119.6540	0.000	2	119.6540	0.000	2	119.6540	0.000	2	119.6540	0.000	2	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2{1|C<4>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	122.3490	0.000	1	119.4753	6.211	3	119.4753	6.211	3	120.9226	8.817	15	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	118.0385	0.187	2	119.4753	6.211	3	119.4753	6.211	3	120.9226	8.817	15	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]H)(CH3)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H){1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]H)(CH3)2{1|O<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	124.8000	0.000	1	124.8000	0.000	1	124.8000	0.000	1	120.9226	8.817	15	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(CH3)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(CH3)2{1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	124.7190	1.225	2	124.7190	1.500	2	124.7190	1.500	2	120.9226	8.817	15	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2{4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	119.4760	0.000	1	119.4760	0.000	1	119.4760	0.000	1	120.9226	8.817	15	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C-4:C-4:	C[6,6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6,6]H)(CH3)2	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(N[6]C[6]H)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC)(H){1|C<2>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6,6]H)(CH3)2{3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(N[6]C[6]H){1|N<2>,2|C<3>,2|C<4>,2|N<3>}	124.8880	0.000	1	124.8880	0.000	1	124.8880	0.000	1	120.9226	8.817	15	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)2{1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	122.5620	0.000	1	122.5620	0.000	1	122.5620	0.000	1	120.9226	8.817	15	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)2(CH3)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)2(CH3)2{3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	117.5650	0.000	1	117.5650	0.000	1	117.5650	0.000	1	120.9226	8.817	15	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CH3)2{1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	117.2290	0.000	1	117.2290	0.000	1	119.3368	3.756	5	120.9226	8.817	15	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]O)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]O)(CH3)2{1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	121.8390	0.000	1	121.8390	0.000	1	119.3368	3.756	5	120.9226	8.817	15	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CCHH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CCHH)(CH3){1|Pd<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Pd<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	117.7180	0.000	1	117.7180	0.000	1	119.3368	3.756	5	120.9226	8.817	15	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2{1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	120.6380	0.000	1	119.9490	0.949	2	119.3368	3.756	5	120.9226	8.817	15	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2{1|Pd<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Pd<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.2600	0.000	1	119.9490	0.949	2	119.3368	3.756	5	120.9226	8.817	15	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H){1|C<4>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	122.5860	0.000	1	122.5860	0.000	1	122.5860	0.000	1	122.5860	0.000	1	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6]H)	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	121.3480	0.000	1	121.3480	0.000	1	121.3480	0.000	1	121.1236	3.751	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	118.7180	0.000	1	118.7180	0.000	1	120.9521	3.182	23	121.1236	3.751	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(N[6]C[6]H){1|C<2>,1|C<4>,1|S<2>,2|C<3>,5|H<1>}	122.1750	0.000	1	122.1750	0.000	1	120.9521	3.182	23	121.1236	3.751	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	123.0120	0.331	2	123.0120	0.110	2	120.9521	3.182	23	121.1236	3.751	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	121.6390	2.264	2	121.6390	5.126	2	120.9521	3.182	23	121.1236	3.751	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	122.4670	0.000	1	120.8053	5.668	8	120.9521	3.182	23	121.1236	3.751	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	119.9603	2.668	3	120.8053	5.668	8	120.9521	3.182	23	121.1236	3.751	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	121.0235	2.604	4	120.8053	5.668	8	120.9521	3.182	23	121.1236	3.751	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	121.2310	0.240	2	121.2310	0.058	2	120.9521	3.182	23	121.1236	3.751	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	120.4110	0.000	1	120.4110	0.000	1	120.9521	3.182	23	121.1236	3.751	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,5|H<1>}	118.8630	0.000	1	118.8630	0.000	1	120.9521	3.182	23	121.1236	3.751	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	119.3350	0.000	1	120.6745	3.589	2	120.9521	3.182	23	121.1236	3.751	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	122.0140	0.000	1	120.6745	3.589	2	120.9521	3.182	23	121.1236	3.751	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,1|F<1>,3|H<1>}	120.7735	0.479	2	120.7735	0.229	2	120.9521	3.182	23	121.1236	3.751	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]O[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<3>,2|H<1>,2|O<2>}	C[6](N[6]C[6,6a]H)(C[6]O[6]HO)(H)2{2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	120.6300	0.000	1	120.6300	0.000	1	120.9521	3.182	23	121.1236	3.751	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(H)2	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	122.4970	0.000	1	122.4970	0.000	1	122.4970	0.000	1	121.1236	3.751	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	125.6240	0.000	1	125.6240	0.000	1	125.6240	0.000	1	121.1236	3.751	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(N[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<4>,2|C<3>,5|H<1>}	118.9690	0.000	1	118.9690	0.000	1	118.9690	0.000	1	121.1236	3.751	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[5]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)(H)	C[6](N[6]C[6,6a]H)(C[5]C[5]2Mn)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)(H){1|Mn<8>,1|H<1>,2|C<3>,3|C<4>}	C[6](N[6]C[6,6a]H)(C[5]C[5]2Mn)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	116.8850	0.000	1	116.8850	0.000	1	115.5293	1.829	3	115.5293	1.829	3	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[5]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)(H)	C[6](N[6]C[6,6a]H)(C[5]C[5]2Re)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)(H){1|Re<8>,1|H<1>,2|C<3>,3|C<4>}	C[6](N[6]C[6,6a]H)(C[5]C[5]2Re)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	114.8515	0.950	2	114.8515	0.902	2	115.5293	1.829	3	115.5293	1.829	3	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5a]-3:C[5,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(H){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	118.3410	0.000	1	118.3410	0.000	1	118.3410	0.000	1	120.9174	4.883	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.9310	0.000	2	120.9310	0.000	2	120.9310	0.000	2	120.9174	4.883	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,1|H<1>,6|C<3>}	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	121.6420	0.000	1	121.6420	0.000	1	119.7260	7.342	2	120.9174	4.883	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,1|H<1>,6|C<3>}	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	117.8100	0.000	1	117.8100	0.000	1	119.7260	7.342	2	120.9174	4.883	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Cl)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(COO)(H){1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Cl)(N[6]C[6]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	123.7810	0.000	1	123.7810	0.000	1	123.3835	0.316	2	120.9174	4.883	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(COO)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]C)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(COO)(H){2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<2>,1|C<4>,1|F<1>,1|H<1>,2|C<3>}	122.9860	0.000	1	122.9860	0.000	1	123.3835	0.316	2	120.9174	4.883	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(COO)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(COO)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	122.1260	0.000	1	122.1260	0.000	1	120.9600	2.719	2	120.9600	2.719	2	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(COO)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(COO)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	119.7940	0.000	1	119.7940	0.000	1	120.9600	2.719	2	120.9600	2.719	2	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[5]C[5]2Fe)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(H){1|Fe<10>,2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6,6a]H)(C[5]C[5]2Fe)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.9500	0.000	1	120.9500	0.000	1	120.9500	0.000	1	120.3699	2.953	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	118.8040	0.000	1	120.2463	1.744	3	119.9090	3.337	5	120.3699	2.953	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.5390	0.000	1	120.2463	1.744	3	119.9090	3.337	5	120.3699	2.953	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	121.3960	0.000	1	120.2463	1.744	3	119.9090	3.337	5	120.3699	2.953	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CCHH)(H){1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	121.5250	0.000	1	121.5250	0.000	1	119.9090	3.337	5	120.3699	2.953	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CSiHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CSiHH)(H){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	117.2810	0.000	1	117.2810	0.000	1	119.9090	3.337	5	120.3699	2.953	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:P-4:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HP)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(PC[6a]2O)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HP)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(PC[6a]2O)(H){1|H<1>,1|P<4>,2|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|C<4>,2|P<4>,3|C<3>,3|H<1>}	122.0940	0.000	1	122.0940	0.000	1	122.0940	0.000	1	120.3699	2.953	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:4:3:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(COO){1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	121.8075	2.307	2	121.8075	5.324	2	121.8075	5.324	2	121.8075	5.324	2	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	120.6095	1.142	2	120.6095	1.304	2	119.6835	1.695	4	119.5726	1.333	5	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,3|H<1>,4|C<4>}	118.3380	0.000	1	118.7575	0.352	2	119.6835	1.695	4	119.5726	1.333	5	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|O<2>,4|C<4>}	119.1770	0.000	1	118.7575	0.352	2	119.6835	1.695	4	119.5726	1.333	5	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:C-4:	C[6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>}	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|H<1>,1|N<3>,3|C<3>,5|C<4>}	119.1290	0.000	1	119.1290	0.000	1	119.1290	0.000	1	119.5726	1.333	5	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6,6a]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H){1|N<3>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6,6a]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	120.5360	0.000	1	120.5360	0.000	1	120.5360	0.000	1	121.6935	2.680	2	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6,6a]H)(H)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6,6a]H)(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	122.8510	0.000	1	122.8510	0.000	1	122.8510	0.000	1	121.6935	2.680	2	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	117.0740	0.000	1	117.0740	0.000	1	117.0740	0.000	1	118.6189	6.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	118.1080	0.000	1	118.1080	0.000	1	117.9558	6.233	12	118.6189	6.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){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]H)(C[6a]C[6a]2)(H){1|Br<1>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	115.8050	0.000	1	116.9213	5.780	7	117.9558	6.233	12	118.6189	6.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){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]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	113.9085	0.815	2	116.9213	5.780	7	117.9558	6.233	12	118.6189	6.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){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]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	118.9505	0.770	2	116.9213	5.780	7	117.9558	6.233	12	118.6189	6.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){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]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	117.7440	0.000	1	116.9213	5.780	7	117.9558	6.233	12	118.6189	6.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){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]H)(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	119.1820	0.000	1	116.9213	5.780	7	117.9558	6.233	12	118.6189	6.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){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]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	118.6280	0.000	1	118.6280	0.000	1	117.9558	6.233	12	118.6189	6.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	117.4580	0.000	1	117.4580	0.000	1	117.9558	6.233	12	118.6189	6.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|C<4>,1|O<2>,6|C<3>}	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	122.3520	0.000	1	121.4135	1.762	2	117.9558	6.233	12	118.6189	6.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|C<4>,1|O<2>,6|C<3>}	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	120.4750	0.000	1	121.4135	1.762	2	117.9558	6.233	12	118.6189	6.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){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]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	121.7660	0.000	1	119.0624	2.632	7	119.3165	4.800	11	118.6189	6.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	117.5930	0.263	2	119.0624	2.632	7	119.3165	4.800	11	118.6189	6.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	117.9930	0.000	1	119.0624	2.632	7	119.3165	4.800	11	118.6189	6.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.4973	1.092	3	119.0624	2.632	7	119.3165	4.800	11	118.6189	6.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){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]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	123.6050	0.000	1	123.6050	0.000	1	119.3165	4.800	11	118.6189	6.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]O[6a]O)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]O[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	117.3550	0.000	1	117.3550	0.000	1	119.3165	4.800	11	118.6189	6.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	121.2060	0.000	1	121.2060	0.000	1	119.3165	4.800	11	118.6189	6.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6](C[6,6]C[6]2O[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6]C[6]2O[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	116.8780	0.000	1	116.8780	0.000	1	119.3165	4.800	11	118.6189	6.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	122.3910	0.000	1	118.2920	12.641	3	119.0757	10.884	4	118.6189	6.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	116.2425	0.282	2	118.2920	12.641	3	119.0757	10.884	4	118.6189	6.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	121.4270	0.000	1	121.4270	0.000	1	119.0757	10.884	4	118.6189	6.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(COO){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	122.1340	0.000	1	122.1340	0.000	1	122.1340	0.000	1	122.1340	0.000	1	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,5,6,6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CH)(H)	C[6](C[5,5,6,6]C[5,6,6]N[5,6]O[5,5])(N[6]C[6,6a]H)(CCHH)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[5,5,6,6]C[5,6,6]N[5,6]O[5,5])(N[6]C[6,6a]H)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	121.5220	0.000	1	121.5220	0.000	1	121.5220	0.000	1	120.7260	0.988	6	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CCHH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CCHH)(H){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	121.9840	0.000	1	121.9840	0.000	1	121.9840	0.000	1	120.7260	0.988	6	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C[3]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[3]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[3]C[3]2H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[3]H)(H){2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[3]C[3]2H)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	120.7640	0.000	1	120.7640	0.000	1	120.7640	0.000	1	120.7260	0.988	6	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]H)(CH3)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]H)(CH3)(H){1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	120.1705	1.068	2	120.1705	1.142	2	120.0287	0.631	3	120.7260	0.988	6	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(CH3)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(CH3)(H){4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	119.7450	0.000	1	119.7450	0.000	1	120.0287	0.631	3	120.7260	0.988	6	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CH3)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]CC)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CH3)2{1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	122.3995	0.228	2	122.3995	0.052	2	122.3995	0.052	2	122.3995	0.052	2	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:B[5]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(B[5]O[5]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]B[5])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(B[5]O[5]2){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]B[5])(H)2{1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(C[6a]C[6a]H){2|O<2>,3|C<3>,4|H<1>}	114.2750	0.202	2	114.2750	0.041	2	114.2750	0.041	2	114.8409	1.769	13	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	112.5520	0.000	1	112.5520	0.000	1	113.2788	0.300	4	114.8409	1.769	13	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	113.1660	0.000	1	113.5210	0.098	3	113.2788	0.300	4	114.8409	1.769	13	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	113.6985	0.080	2	113.5210	0.098	3	113.2788	0.300	4	114.8409	1.769	13	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,5|H<1>}	115.3700	0.943	2	115.3700	0.890	2	115.8953	0.350	7	114.8409	1.769	13	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,5|H<1>}	116.0780	0.000	1	116.0780	0.000	1	115.8953	0.350	7	114.8409	1.769	13	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,2|C<3>,4|H<1>}	116.3410	0.000	1	115.9727	0.103	3	115.8953	0.350	7	114.8409	1.769	13	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,5|H<1>}	115.7885	0.047	2	115.9727	0.103	3	115.8953	0.350	7	114.8409	1.769	13	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,5|H<1>}	116.5310	0.000	1	116.5310	0.000	1	115.8953	0.350	7	114.8409	1.769	13	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	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:	C[6,6a]-3:C[6a]-3:N[6]-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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,2|C<3>,4|H<1>}	117.5440	0.000	1	117.5440	0.000	1	116.0608	1.740	6	116.5420	3.071	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	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:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,2|C<3>,4|H<1>}	116.8225	1.125	2	116.8225	1.266	2	116.0608	1.740	6	116.5420	3.071	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	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:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	115.0587	0.728	3	115.0587	0.530	3	116.0608	1.740	6	116.5420	3.071	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<2>,2|C<3>,5|H<1>}	119.4290	0.000	1	119.4290	0.000	1	119.4290	0.000	1	116.5420	3.071	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:2:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	121.3450	0.000	1	121.3450	0.000	1	121.3450	0.000	1	121.3450	0.000	1	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6])(N[6]C[6]C)	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[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6])(N[6]C[6]C){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	112.4520	0.000	1	112.4520	0.000	1	112.4520	0.000	1	116.0970	9.414	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[6a]-3:N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	116.0860	0.000	1	116.0860	0.000	1	116.0860	0.000	1	116.0970	9.414	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	117.9570	0.000	1	117.9570	0.000	1	117.7140	0.118	2	116.0970	9.414	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,3|C<3>,3|H<1>}	117.4710	0.000	1	117.4710	0.000	1	117.7140	0.118	2	116.0970	9.414	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6]){1|C<2>,2|H<1>,8|C<3>}	111.2910	0.000	1	111.2910	0.000	1	111.2910	0.000	1	116.0970	9.414	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	117.9730	0.000	1	117.9730	0.000	1	117.9730	0.000	1	116.0970	9.414	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2){3|H<1>,8|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[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	119.4490	0.000	1	119.4490	0.000	1	119.4490	0.000	1	116.0970	9.414	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:O-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[6a]C[6a]2)	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(OC)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(OC){1|Zn<4>,1|H<1>,1|N<3>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|Zn<4>,1|O<2>,2|H<1>,5|C<3>}	123.9500	0.000	1	123.9500	0.000	1	123.9500	0.000	1	123.9500	0.000	1	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:C[6a]-3:N-3:	C[5,6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,2|N<3>,4|C<3>}	121.8340	0.000	1	121.8340	0.000	1	121.8340	0.000	1	121.8340	0.000	1	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C[6a])(C[5]C[5]N[5]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6]C[6a]C[6])(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2){1|C<4>,2|N<3>,3|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C[6a])(C[5]C[5]N[5]H)(H){1|N<2>,2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6]C[6a]C[6])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	117.4610	0.000	1	117.4610	0.000	1	117.4610	0.000	1	117.4610	0.000	1	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[5,6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	116.9320	0.000	1	116.9320	0.000	1	116.9320	0.000	1	115.5863	3.480	17	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	113.0690	0.000	1	113.0690	0.000	1	113.0690	0.000	1	115.5863	3.480	17	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	113.4440	0.029	4	113.4440	0.001	4	114.9046	4.006	7	115.5863	3.480	17	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	117.1630	1.882	2	116.8520	2.062	3	114.9046	4.006	7	115.5863	3.480	17	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	116.2300	0.000	1	116.8520	2.062	3	114.9046	4.006	7	115.5863	3.480	17	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	114.9500	0.000	1	114.9500	0.000	1	116.0127	2.605	6	115.5863	3.480	17	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	115.1210	0.000	1	115.1210	0.000	1	116.0127	2.605	6	115.5863	3.480	17	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	116.2545	1.231	2	116.2545	1.516	2	116.0127	2.605	6	115.5863	3.480	17	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	114.7000	0.000	1	114.7000	0.000	1	116.0127	2.605	6	115.5863	3.480	17	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	118.7960	0.000	1	118.7960	0.000	1	116.0127	2.605	6	115.5863	3.480	17	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCHH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCHH)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	116.8340	0.000	1	116.8340	0.000	1	116.8340	0.000	1	115.5863	3.480	17	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:N-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(NCC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]N)(CCHH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(NCC){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]N)(CCHH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]N){1|C<4>,3|C<3>,3|H<1>}	117.7240	0.000	1	117.7240	0.000	1	117.7240	0.000	1	115.5863	3.480	17	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:4:3:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	121.4370	0.000	1	121.4370	0.000	1	121.4370	0.000	1	121.4370	0.000	1	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	120.4490	0.000	1	120.4490	0.000	1	120.4490	0.000	1	120.4490	0.000	1	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	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[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	116.9680	0.960	2	116.9680	0.922	2	114.7192	9.222	5	115.6232	7.359	21	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	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[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	114.6095	2.743	2	114.6095	7.523	2	114.7192	9.222	5	115.6232	7.359	21	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	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[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	110.4410	0.000	1	110.4410	0.000	1	114.7192	9.222	5	115.6232	7.359	21	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	120.9850	0.000	1	120.9850	0.000	1	116.0703	7.031	15	115.6232	7.359	21	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	114.4340	0.000	1	114.4340	0.000	1	116.0703	7.031	15	115.6232	7.359	21	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Pd)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Pd)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	118.9850	0.105	2	118.9850	0.011	2	116.0703	7.031	15	115.6232	7.359	21	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	112.2140	0.000	1	112.2140	0.000	1	116.0703	7.031	15	115.6232	7.359	21	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	113.5920	0.000	1	113.5920	0.000	1	116.0703	7.031	15	115.6232	7.359	21	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	119.0160	0.000	1	119.0160	0.000	1	116.0703	7.031	15	115.6232	7.359	21	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	116.6585	0.015	2	116.6585	0.000	2	116.0703	7.031	15	115.6232	7.359	21	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,4|H<1>}	113.8300	0.000	1	113.8300	0.000	1	116.0703	7.031	15	115.6232	7.359	21	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	116.0160	0.000	1	116.0160	0.000	1	116.0703	7.031	15	115.6232	7.359	21	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	114.2395	0.503	2	114.2395	0.253	2	116.0703	7.031	15	115.6232	7.359	21	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	115.6005	3.434	2	115.6005	11.795	2	116.0703	7.031	15	115.6232	7.359	21	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	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[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	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[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){1|C<4>,3|C<3>,6|H<1>}	113.4380	0.000	1	113.4380	0.000	1	113.4380	0.000	1	115.6232	7.359	21	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	116.9660	0.000	1	116.9660	0.000	1	116.7555	0.089	2	116.7555	0.089	2	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Ni<4>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	116.5450	0.000	1	116.5450	0.000	1	116.7555	0.089	2	116.7555	0.089	2	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	115.6260	0.000	1	115.6260	0.000	1	115.6260	0.000	1	117.1193	2.243	3	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	118.6210	0.000	1	118.6210	0.000	1	118.6210	0.000	1	117.1193	2.243	3	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	117.1110	0.000	1	117.1110	0.000	1	117.1110	0.000	1	117.1193	2.243	3	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	114.9540	0.000	1	114.9540	0.000	1	117.4448	1.144	12	117.4178	1.058	13	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	117.8245	1.059	2	117.8245	1.121	2	117.4448	1.144	12	117.4178	1.058	13	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	119.2520	0.000	1	119.2520	0.000	1	117.4448	1.144	12	117.4178	1.058	13	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|Br<1>,1|C<3>,2|C<4>,3|H<1>}	117.7235	0.340	4	117.7235	0.116	4	117.4448	1.144	12	117.4178	1.058	13	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|Br<1>,1|C<3>,2|C<4>,3|H<1>}	117.1472	0.480	4	117.1472	0.231	4	117.4448	1.144	12	117.4178	1.058	13	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:P-3:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(POO)	C[6](N[6]C[6,6a]P)(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(POO){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]P)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P){1|C<3>,2|C<4>,5|H<1>}	117.0940	0.000	1	117.0940	0.000	1	117.0940	0.000	1	117.4178	1.058	13	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	113.2750	0.000	1	113.2750	0.000	1	113.2750	0.000	1	115.6734	2.052	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	117.8350	0.000	1	117.8350	0.000	1	117.8350	0.000	1	115.6734	2.052	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]C)	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[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]C){1|C<4>,2|H<1>,6|C<3>}	115.5035	0.803	2	115.5035	0.644	2	115.7208	0.469	5	115.6734	2.052	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	115.0290	0.000	1	115.8657	0.537	3	115.7208	0.469	5	115.6734	2.052	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	116.2840	0.154	2	115.8657	0.537	3	115.7208	0.469	5	115.6734	2.052	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[3,6]-4:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	115.7950	0.000	1	115.7950	0.000	1	115.7950	0.000	1	117.4235	5.304	2	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.0520	0.000	1	119.0520	0.000	1	119.0520	0.000	1	117.4235	5.304	2	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[5,6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,3|C<4>,3|H<1>}	115.8370	0.000	1	115.8370	0.000	1	115.8370	0.000	1	117.8896	5.969	8	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	113.4040	0.000	1	113.4040	0.000	1	113.4040	0.000	1	117.8896	5.969	8	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	120.2390	0.000	1	120.2390	0.000	1	118.9778	2.249	4	117.8896	5.969	8	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	118.5573	1.521	3	118.5573	2.313	3	118.9778	2.249	4	117.8896	5.969	8	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	120.3200	0.000	1	120.3200	0.000	1	118.9825	3.578	2	117.8896	5.969	8	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	117.6450	0.000	1	117.6450	0.000	1	118.9825	3.578	2	117.8896	5.969	8	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	4:3:3:2:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6]-4:N[6]-3:C-3:O-2:	C[6,6a]-3:C[5,6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[5,6,6]C[6a])(C[5,6a]C[5,6a]O[5])(N[6]C[6]C)	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[6,6a](C[6,6a]C[5,6,6]C[6a])(C[5,6a]C[5,6a]O[5])(N[6]C[6]C){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	119.2120	0.000	1	119.2120	0.000	1	119.2120	0.000	1	119.2120	0.000	1	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	C[6](N[6]C[6,6a]C)(N[6]S[6])(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH){1|H<1>,1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(N[6]S[6])(H)2{2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){2|N<2>,2|O<1>,4|H<1>}	121.3970	0.000	1	121.3970	0.000	1	121.3970	0.000	1	121.3970	0.000	1	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:2:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(O[6]C[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]S)(O[6]C[6])(CCHH)(H){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	113.1590	0.000	1	113.1590	0.000	1	113.1590	0.000	1	113.1590	0.000	1	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:2:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[6a]HH){2|C<3>,2|C<4>}	C[6](N[6]C[6,6a]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|N<2>,2|N<3>,5|H<1>}	121.3590	0.000	1	121.3590	0.000	1	121.3590	0.000	1	117.8520	24.598	2	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:2:3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(SC[6a]OO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]S){1|O<2>,2|H<1>,4|C<3>}	114.3450	0.000	1	114.3450	0.000	1	114.3450	0.000	1	117.8520	24.598	2	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	116.4230	0.000	1	116.4230	0.000	1	116.4230	0.000	1	114.3062	3.885	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(H)2{2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	115.4070	0.000	1	115.4070	0.000	1	115.4070	0.000	1	114.3062	3.885	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C[6](N[6]C[6,6a]C)2(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)2(H)2{3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	113.8987	2.462	6	113.8987	6.062	6	113.8987	6.062	6	114.3062	3.885	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	C[6](N[6]C[6,6a]C)(N[6]S[6]H)(H)2	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	C[6](N[6]C[6,6a]C)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,2|O<1>,3|H<1>}	118.0105	0.237	2	118.0105	0.056	2	118.0105	0.056	2	114.3062	3.885	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]S)(H)2{1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	113.1840	0.000	1	113.1840	0.000	1	113.1840	0.000	1	114.3062	3.885	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	111.3670	0.000	1	113.1440	6.315	2	113.1440	6.315	2	114.3062	3.885	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	114.9210	0.000	1	113.1440	6.315	2	113.1440	6.315	2	114.3062	3.885	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2{3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	112.8820	0.000	1	112.8820	0.000	1	113.8332	1.057	9	114.3062	3.885	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]H)(H)2{3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,3|H<1>}	113.1600	0.000	1	113.4332	0.883	5	113.8332	1.057	9	114.3062	3.885	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]H)(H)2{3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	114.3140	0.290	2	113.4332	0.883	5	113.8332	1.057	9	114.3062	3.885	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]H)(H)2{3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	112.6890	0.846	2	113.4332	0.883	5	113.8332	1.057	9	114.3062	3.885	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]N[6]C)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]S)(C[6]N[6]C)(H)2{1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S){1|S<4>,2|C<3>,4|H<1>}	114.8170	0.394	3	114.8170	0.155	3	113.8332	1.057	9	114.3062	3.885	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(N[6]C[5,6]C)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6,6a]S)(N[6]C[5,6]C)(H)2{1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	113.8280	0.000	1	113.8280	0.000	1	113.8280	0.000	1	114.3062	3.885	23	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OC)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OC)(H){1|C<4>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	117.9047	0.980	3	117.9047	0.961	3	117.4885	1.333	4	117.4885	1.333	4	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OH)(H){1|C<4>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	116.2400	0.000	1	116.2400	0.000	1	117.4885	1.333	4	117.4885	1.333	4	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(CCHH)	C[6](C[5a,6]C[5a,6a]N[5a,6])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(CCHH){1|H<1>,1|N<3>,5|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|H<1>,4|C<3>}	117.7130	0.000	1	117.7130	0.000	1	117.7130	0.000	1	117.1359	4.287	14	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[5a]-3:N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]C)(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]C)(C[6]N[6]O)(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	118.3500	0.000	1	118.3500	0.000	1	118.3500	0.000	1	117.1359	4.287	14	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|H<1>,4|C<3>}	120.8210	0.000	1	120.8210	0.000	1	117.9723	6.427	3	117.1359	4.287	14	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|H<1>,1|O<2>,5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]C)(H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	116.5480	0.826	2	116.5480	0.682	2	117.9723	6.427	3	117.1359	4.287	14	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH){2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	114.9710	0.000	1	114.9710	0.000	1	116.3010	3.538	2	117.1359	4.287	14	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CH3)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CH3){1|H<1>,1|O<1>,5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	117.6310	0.000	1	117.6310	0.000	1	116.3010	3.538	2	117.1359	4.287	14	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CC[6a]HH)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]C)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CC[6a]HH){1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]C)(CCH)(H){1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	115.4680	0.000	1	115.4680	0.000	1	115.4680	0.000	1	117.1359	4.287	14	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5]HH)	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5]HH){1|C<4>,1|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|H<1>,4|C<3>}	115.6430	0.168	2	115.6430	0.028	2	115.9430	0.284	3	117.1359	4.287	14	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH)	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH){1|C<4>,1|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|H<1>,4|C<3>}	116.5430	0.000	1	116.5430	0.000	1	115.9430	0.284	3	117.1359	4.287	14	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	116.5000	0.000	1	116.5000	0.000	1	116.0210	0.459	2	117.1359	4.287	14	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|H<1>,1|N<3>,5|C<3>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]N)(H){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	115.5420	0.000	1	115.5420	0.000	1	116.0210	0.459	2	117.1359	4.287	14	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(N[6]S[6]C)(CC[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(N[6]S[6]C)(CC[6a]C)(H){2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	121.9810	0.000	1	121.9810	0.000	1	121.9810	0.000	1	117.1359	4.287	14	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:P-4:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(PO3)	C[6](N[6]C[6,6a]P)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(PO3){2|H<1>,7|C<3>}	C[6](N[6]C[6,6a]P)(C[6a]C[6a]2)2(C[6]C[6]H){4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P){1|H<1>,1|O<2>,5|C<3>}	111.5750	0.000	1	112.3230	1.119	2	112.3230	1.119	2	112.3230	1.119	2	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:P-4:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(PO3)	C[6](N[6]C[6,6a]P)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(PO3){2|H<1>,7|C<3>}	C[6](N[6]C[6,6a]P)(C[6a]C[6a]2)2(C[6]C[6]H){4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P){2|H<1>,5|C<3>}	113.0710	0.000	1	112.3230	1.119	2	112.3230	1.119	2	112.3230	1.119	2	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:2:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	121.3120	0.000	1	121.3120	0.000	1	121.3120	0.000	1	121.3120	0.000	1	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H){1|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){1|C<4>,3|H<1>,5|C<3>}	111.2330	0.000	1	111.2330	0.000	1	112.4430	2.928	2	118.6977	13.062	20	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CC[6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CC[6]HH)(H){1|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){1|C<4>,3|H<1>,5|C<3>}	113.6530	0.000	1	113.6530	0.000	1	112.4430	2.928	2	118.6977	13.062	20	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]CC)(H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	122.6180	0.000	1	122.6180	0.000	1	122.6180	0.000	1	118.6977	13.062	20	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	115.5610	0.000	1	115.5610	0.000	1	115.5610	0.000	1	118.6977	13.062	20	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,6|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	122.5990	0.257	2	122.6967	0.062	3	121.3341	3.237	9	118.6977	13.062	20	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,6|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	122.8920	0.000	1	122.6967	0.062	3	121.3341	3.237	9	118.6977	13.062	20	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	122.2610	0.000	1	122.2610	0.000	1	121.3341	3.237	9	118.6977	13.062	20	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	119.8520	1.051	2	119.8520	1.104	2	121.3341	3.237	9	118.6977	13.062	20	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){2|H<1>,2|O<2>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HO)(H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	119.2355	0.653	2	119.2355	0.426	2	121.3341	3.237	9	118.6977	13.062	20	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CN)(H){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	123.4810	0.000	1	123.4810	0.000	1	121.3341	3.237	9	118.6977	13.062	20	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<4>,4|C<3>,4|H<1>}	115.5690	0.000	1	115.5690	0.000	1	115.5690	0.000	1	118.6977	13.062	20	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CH3)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(CCCF)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CH3){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(CCCF)(H){1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	119.2130	0.000	1	119.2130	0.000	1	119.2130	0.000	1	118.6977	13.062	20	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(SCOO)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(CCHH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(SCOO){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	115.0440	0.000	1	115.0440	0.000	1	115.0440	0.000	1	118.6977	13.062	20	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]S)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,5|H<1>}	119.8820	0.000	1	119.8820	0.000	1	119.8820	0.000	1	118.6977	13.062	20	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	115.2890	0.000	1	115.2890	0.000	1	114.9555	0.222	2	118.6977	13.062	20	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CHHI)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CHHI)(H){3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,3|H<1>}	114.6220	0.000	1	114.6220	0.000	1	114.9555	0.222	2	118.6977	13.062	20	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CF)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|F<1>,1|H<1>,6|C<3>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CF)(H){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	119.2630	0.000	1	119.2630	0.000	1	119.2630	0.000	1	118.6977	13.062	20	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CH3)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CH3){1|C<4>,1|H<1>,6|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(CH3){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	124.5020	0.000	1	124.5020	0.000	1	124.5020	0.000	1	121.0333	14.109	16	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	C[6](N[6]C[6,6a]C)2(CCHH)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)2(CCHH)(CH3){3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	117.9631	2.671	8	117.9631	7.132	8	120.8021	14.200	15	121.0333	14.109	16	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	C[6](N[6]C[6,6a]C)2(CCHH)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)2(CCHH)2{3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	124.0466	1.336	7	124.0466	1.786	7	120.8021	14.200	15	121.0333	14.109	16	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(CHHO)	C[6](N[6]C[6,6a]C)(C[6,6]C[6]3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(CHHO){1|C<4>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6,6]C[6]3)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	119.2330	0.000	1	119.2330	0.000	1	119.2330	0.000	1	116.7390	12.440	2	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]N[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]N[6a])(N[6]C[6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	114.2450	0.000	1	114.2450	0.000	1	114.2450	0.000	1	116.7390	12.440	2	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	119.8250	0.000	1	119.8250	0.000	1	119.6647	10.470	15	118.9498	9.630	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,3|C<4>,4|H<1>}	121.3405	0.210	2	121.5800	0.194	3	119.6647	10.470	15	118.9498	9.630	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	122.0590	0.000	1	121.5800	0.194	3	119.6647	10.470	15	118.9498	9.630	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	118.9760	5.172	3	118.9760	26.754	3	119.6647	10.470	15	118.9498	9.630	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.1580	0.000	1	118.2270	17.182	2	119.6647	10.470	15	118.9498	9.630	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	115.2960	0.000	1	118.2270	17.182	2	119.6647	10.470	15	118.9498	9.630	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|O<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2{2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	112.8490	0.000	1	112.8490	0.000	1	119.6647	10.470	15	118.9498	9.630	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH){3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	119.4050	0.000	1	119.4050	0.000	1	119.6647	10.470	15	118.9498	9.630	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.9505	0.869	2	121.9505	0.755	2	119.6647	10.470	15	118.9498	9.630	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	120.4370	0.000	1	120.4340	0.000	2	119.6647	10.470	15	118.9498	9.630	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	120.4310	0.000	1	120.4340	0.000	2	119.6647	10.470	15	118.9498	9.630	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(N[6]C[6]C)	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	123.0370	0.000	1	123.0370	0.000	1	123.0370	0.000	1	118.9498	9.630	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:P-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(PIrCC)	C[6](N[6]C[6,6a]P)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Ir)(N[6]C[6]P)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(PIrCC){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]P)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Ir)(N[6]C[6]P){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	119.8480	0.000	1	119.8480	0.000	1	119.8480	0.000	1	118.9498	9.630	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6,6]C[6]3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]S)(C[6,6]C[6]3)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	117.3970	1.759	2	117.3970	3.095	2	117.3970	3.095	2	118.9498	9.630	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	119.7180	0.000	1	117.7035	8.116	2	117.8237	6.593	7	118.9498	9.630	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	115.6890	0.000	1	117.7035	8.116	2	117.8237	6.593	7	118.9498	9.630	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]S)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	117.2200	0.000	1	117.2200	0.000	1	117.8237	6.593	7	118.9498	9.630	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	121.1880	0.000	1	119.5260	2.093	3	117.8237	6.593	7	118.9498	9.630	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,6|H<1>}	118.6950	0.206	2	119.5260	2.093	3	117.8237	6.593	7	118.9498	9.630	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]S)(C[6]O[6]CH)(H)2{2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,4|H<1>}	113.5610	0.000	1	113.5610	0.000	1	117.8237	6.593	7	118.9498	9.630	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]S[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6]C[6]S)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(SC[6a]OO){1|S<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]S)(C[6]S[6]HH)(H)2{2|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	114.2300	0.000	1	114.2300	0.000	1	114.2300	0.000	1	118.9498	9.630	27	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO){1|C<4>,1|H<1>,6|C<3>}	C[6](N[6]C[6,6a]S)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|Br<1>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	119.0820	0.000	1	119.0820	0.000	1	119.0820	0.000	1	119.0820	0.000	1	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:4:1:	3:2:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CH)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.9230	0.000	1	122.9230	0.000	1	122.9230	0.000	1	122.9230	0.000	1	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	121.3470	0.000	1	121.3470	0.000	1	121.3470	0.000	1	117.6124	5.187	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]CC)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]CC)(CCHH)(H){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	115.4790	0.000	1	115.4790	0.000	1	116.9900	2.971	6	117.6124	5.187	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]HN)(CF3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]S)(C[6]C[6]HN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	117.1920	0.000	1	117.1920	0.000	1	116.9900	2.971	6	117.6124	5.187	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|Si<3>,1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(CH3)(H){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	118.8390	0.000	1	118.8390	0.000	1	116.9900	2.971	6	117.6124	5.187	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]O[6]CC)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	C[6](N[6]C[6,6a]S)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,3|H<1>}	114.9150	0.000	1	114.9150	0.000	1	116.9900	2.971	6	117.6124	5.187	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]O[6]HH)(CCCO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|O<2>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]S)(C[6]O[6]HH)(CCCO)(H){2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,3|H<1>}	116.4110	0.000	1	116.4110	0.000	1	116.9900	2.971	6	117.6124	5.187	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]S[6]CH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]S)(C[6]S[6]CH)(CCHH)(H){2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,3|H<1>}	119.1040	0.000	1	119.1040	0.000	1	116.9900	2.971	6	117.6124	5.187	7	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	115.2170	0.000	1	115.2170	0.000	1	115.7113	22.722	3	116.4267	8.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|H<1>,1|N<3>,4|C<3>}	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6,6a]C)(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	120.7060	0.000	1	120.7060	0.000	1	115.7113	22.722	3	116.4267	8.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	111.2110	0.000	1	111.2110	0.000	1	115.7113	22.722	3	116.4267	8.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(H)2{2|C<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,2|C<2>,4|H<1>}	120.0100	0.201	2	120.0100	0.040	2	120.0100	0.040	2	116.4267	8.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3)	C[6](N[6]C[6,6a]CC)(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3){1|H<1>,2|C<4>,3|C<3>}	C[6](N[6]C[6,6a]CC)(N[6]C[6,6a]C)(H)2{3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<4>,3|C<3>,3|H<1>}	114.7900	0.000	1	114.7900	0.000	1	114.0675	1.044	2	116.4267	8.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C[6](N[6]C[6,6a]RuC)(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]RuC)(N[6]C[6,6a]C)(H)2{3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<4>,3|C<3>,3|H<1>}	113.3450	0.000	1	113.3450	0.000	1	114.0675	1.044	2	116.4267	8.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]S)(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	114.0430	0.051	2	114.0430	0.003	2	114.8077	1.755	3	116.4267	8.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO)	C[6](C[4,6]C[4,6]N[4]H)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO){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]S)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	116.3370	0.000	1	116.3370	0.000	1	114.8077	1.755	3	116.4267	8.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[3,5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[3,5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	118.9690	0.000	1	118.9690	0.000	1	116.6789	4.937	10	116.4267	8.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	117.8230	0.000	1	116.3779	5.651	7	116.6789	4.937	10	116.4267	8.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	117.2337	2.157	3	116.3779	5.651	7	116.6789	4.937	10	116.4267	8.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	115.8440	0.000	1	116.3779	5.651	7	116.6789	4.937	10	116.4267	8.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{2|H<1>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	111.9950	0.000	1	116.3779	5.651	7	116.6789	4.937	10	116.4267	8.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	117.2820	0.000	1	116.3779	5.651	7	116.6789	4.937	10	116.4267	8.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	118.1090	0.000	1	116.5875	4.630	2	116.6789	4.937	10	116.4267	8.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(H)2{1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	115.0660	0.000	1	116.5875	4.630	2	116.6789	4.937	10	116.4267	8.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]S)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	119.8770	0.000	1	119.8770	0.000	1	117.2170	20.237	4	116.4267	8.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,5|H<1>}	113.4070	0.044	2	116.3303	25.639	3	117.2170	20.237	4	116.4267	8.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,5|H<1>}	122.1770	0.000	1	116.3303	25.639	3	117.2170	20.237	4	116.4267	8.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(H)2{1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	116.3860	0.000	1	116.3860	0.000	1	116.1445	4.080	4	116.4267	8.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6a]C[6]O)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6]O)(N[6]C[6,6a]S)(H)2{1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	116.6280	0.000	1	117.4135	1.234	2	116.1445	4.080	4	116.4267	8.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6a]C[6]O)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6]O)(N[6]C[6,6a]S)(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	118.1990	0.000	1	117.4135	1.234	2	116.1445	4.080	4	116.4267	8.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]S)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,4|H<1>}	113.3650	0.000	1	113.3650	0.000	1	116.1445	4.080	4	116.4267	8.040	28	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3)	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	121.7420	0.000	1	121.7420	0.000	1	121.7420	0.000	1	119.2323	4.903	3	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	117.5540	0.000	1	117.5540	0.000	1	117.9775	0.359	2	119.2323	4.903	3	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO){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]S)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,4|H<1>}	118.4010	0.000	1	118.4010	0.000	1	117.9775	0.359	2	119.2323	4.903	3	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CCHH)(H){1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	117.7150	0.000	1	117.7150	0.000	1	119.9055	9.597	2	119.0860	6.813	3	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CC[6a]HH)(H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	122.0960	0.000	1	122.0960	0.000	1	119.9055	9.597	2	119.0860	6.813	3	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a]S)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a]S)(CCHH)(H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,4|H<1>}	117.4470	0.000	1	117.4470	0.000	1	117.4470	0.000	1	119.0860	6.813	3	118.5285	10.817	490	117.9764	16.622	798
856	466	643	6:SP3_SP2_SP3	N[3x6]	C[3x6]	C[6,6a]	4:3:4:	3:3:3:1:	3:3:3:	C[3x6]-4:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:N[3x6]-3:N[6,6]-3:H-1:	N[3x6]-3:C[6,6a]-3:C[6a]-3:	N[3x6](C[3x6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H)	C[6,6a](N[3x6]C[3x6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[3x6](C[3x6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H){1|C<4>,2|H<1>,6|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H){2|N<3>,3|H<1>,6|C<3>}	C[6,6a](N[3x6]C[3x6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|N<3>,5|H<1>}	112.3425	0.117	2	112.3425	0.014	2	112.3425	0.014	2	112.3425	0.014	2	112.3425	0.014	2	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[3x6]	C[6,6]	C[6,6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:	N[3x6]-3:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:N[3x6]-3:C[6a]-3:	N[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2	C[6,6](N[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(N[3x6]C[6,6]2)(C[6a]C[6a]H)	N[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6,6](N[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(N[3x6]C[6,6]2)(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	107.3130	0.885	2	107.3130	0.784	2	107.3130	0.784	2	107.3130	0.784	2	107.3130	0.784	2	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[3x6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[3x6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6a,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH)	C[3x6](N[6,6]C[6,6a]C[6])2(N[6,6]C[6]2)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	C[3x6](N[6,6]C[6,6a]C[6])2(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	116.0717	0.447	3	116.0717	0.200	3	116.0717	0.200	3	116.0717	0.200	3	115.8318	8.381	6	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[3x6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:3:	C[3x6]-4:C[6,6a]-3:C[6,6]-3:	N[6,6]-3:C[6,6]-4:C[6]-4:O[6]-2:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[3x6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])	C[6,6a](N[6,6]C[3x6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<3>,6|C<4>,6|H<1>}	C[3x6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6]){2|C<4>,4|C<3>,7|H<1>}	C[6,6a](N[6,6]C[3x6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	118.1690	1.147	2	118.1690	1.315	2	118.1690	1.315	2	118.1690	1.315	2	115.8318	8.381	6	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[3x6]	C[6,6a]	4:3:4:	3:3:3:1:	3:3:3:	C[3x6]-4:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[3x6]-3:N[6,6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H)	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN){1|C<4>,1|H<1>,6|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H){2|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H){3|C<3>,3|N<3>,5|H<1>}	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	115.8318	8.381	6	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6,6a]-3:C[6,6a,6a]-3:N[6,6]-3:	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)	C[6,6](N[6,6]C[6,6,6a]C[6])(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6,6a,6a]C[3x6a]C[6,6a])(N[6,6]C[6,6]C[6])	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[6,6,6a]C[6])(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6,6a,6a]C[3x6a]C[6,6a])(N[6,6]C[6,6]C[6]){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	113.8150	0.544	2	113.8150	0.296	2	113.8150	0.296	2	113.8150	0.296	2	113.8150	0.296	2	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6,6]-4:	N[6,6]-3:C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H){1|N<3>,3|H<1>,6|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]C)(H){1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){4|H<1>,5|C<3>}	118.2680	0.000	1	118.2680	0.000	1	118.2680	0.000	1	118.2680	0.000	1	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]Br)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6]){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]Br)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	120.4990	0.000	1	120.4990	0.000	1	120.4990	0.000	1	120.4990	0.000	1	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(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]C[6,6a]C[6])(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6]){1|H<1>,1|I<1>,1|N<3>,7|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)(H){1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	111.2120	0.000	1	111.2120	0.000	1	111.2505	0.003	2	111.2505	0.003	2	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]N[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]N[6]C){2|H<1>,5|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]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	111.2890	0.000	1	111.2890	0.000	1	111.2505	0.003	2	111.2505	0.003	2	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:O-2:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]O)(C[6]C[6,6a]O)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(OO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]O)(C[6]C[6,6a]O){2|C<4>,6|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(OO){1|H<1>,2|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	112.2320	0.000	1	112.2320	0.000	1	112.2320	0.000	1	112.2320	0.000	1	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6]O)	C[6,6](C[6,6]C[6,6]S[6]H)(N[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6]O){1|S<2>,2|H<1>,6|C<3>}	C[6,6](C[6,6]C[6,6]S[6]H)(N[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	113.4970	0.000	1	113.4970	0.000	1	113.4970	0.000	1	113.4970	0.000	1	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH){1|C<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	109.9867	0.556	3	109.9867	0.309	3	110.7712	0.333	60	110.7737	0.314	64	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,7|H<1>}	111.5900	0.000	1	111.5900	0.000	1	110.7712	0.333	60	110.7737	0.314	64	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[5,6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	110.9795	0.333	2	110.9795	0.111	2	110.7712	0.333	60	110.7737	0.314	64	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a,6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a,6a]H){1|N<3>,3|C<3>,7|H<1>}	110.6345	0.441	2	110.6345	0.194	2	110.7712	0.333	60	110.7737	0.314	64	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Br<1>,1|C<4>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br){1|N<3>,2|C<3>,8|H<1>}	110.8883	0.182	3	110.8883	0.033	3	110.7712	0.333	60	110.7737	0.314	64	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C){2|C<3>,2|N<3>,7|H<1>}	110.8650	0.000	1	111.2507	0.132	3	110.7712	0.333	60	110.7737	0.314	64	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C){2|C<3>,3|N<3>,6|H<1>}	111.4435	0.200	2	111.2507	0.132	3	110.7712	0.333	60	110.7737	0.314	64	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|F<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]F){1|N<3>,2|C<3>,2|F<1>,6|H<1>}	110.2160	0.000	1	110.2160	0.000	1	110.7712	0.333	60	110.7737	0.314	64	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,7|H<1>}	110.9130	0.000	1	110.7338	0.374	38	110.7712	0.333	60	110.7737	0.314	64	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,7|H<1>}	110.5060	0.000	1	110.7338	0.374	38	110.7712	0.333	60	110.7737	0.314	64	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	110.7351	0.627	36	110.7338	0.374	38	110.7712	0.333	60	110.7737	0.314	64	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5a])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5a]){1|N<3>,4|C<3>,8|H<1>}	111.1725	0.046	4	111.1725	0.002	4	110.7712	0.333	60	110.7737	0.314	64	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]S)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|S<2>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]S){1|N<3>,2|C<3>,8|H<1>}	110.7315	0.411	2	110.7315	0.169	2	110.7712	0.333	60	110.7737	0.314	64	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HN)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HN){2|C<4>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C){2|C<3>,2|N<3>,7|H<1>}	110.8250	0.000	1	110.8250	0.000	1	110.7712	0.333	60	110.7737	0.314	64	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	C[6,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6]){1|N<3>,4|C<3>,8|H<1>}	110.8113	0.225	4	110.8113	0.051	4	110.8113	0.051	4	110.7737	0.314	64	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	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)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|N<3>,3|H<1>,5|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>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	112.3810	0.000	1	112.3810	0.000	1	113.6045	2.994	2	113.6045	2.994	2	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6a]C[6])(H){1|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	114.8280	0.000	1	114.8280	0.000	1	113.6045	2.994	2	113.6045	2.994	2	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH){2|N<3>,4|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(H){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|F<1>,2|C<3>,2|C<4>,5|H<1>}	113.3870	0.000	1	113.3870	0.000	1	113.3870	0.000	1	111.5813	4.859	3	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:C-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]CH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]CH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])2(CCHH)(H){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	110.6785	2.197	2	110.6785	4.827	2	110.6785	4.827	2	111.5813	4.859	3	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a])	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2C)(H)2{1|C<3>,1|C<4>,1|N<2>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a]){2|C<4>,3|C<3>,6|H<1>}	112.1190	0.000	1	112.1190	0.000	1	112.1190	0.000	1	112.1190	0.000	1	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2H)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	111.4690	0.000	1	111.4690	0.000	1	113.1423	6.872	7	113.1423	6.872	7	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]Si[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|Si<4>,1|C<4>,2|C<3>,4|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]Si[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|F<1>,2|C<3>,3|C<4>,5|H<1>}	116.1600	0.000	1	115.9267	0.084	3	113.1423	6.872	7	113.1423	6.872	7	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]Si[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|Si<4>,1|C<4>,2|C<3>,4|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]Si[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	116.0180	0.000	1	115.9267	0.084	3	113.1423	6.872	7	113.1423	6.872	7	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]Si[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|Si<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]Si[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	115.6020	0.000	1	115.9267	0.084	3	113.1423	6.872	7	113.1423	6.872	7	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6a]C[6]H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6a]C[6]H){2|C<4>,4|C<3>,4|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2H)(H)2{1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	110.9157	0.259	3	110.9157	0.067	3	113.1423	6.872	7	113.1423	6.872	7	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	118.9860	0.000	1	118.9860	0.000	1	120.8010	6.588	2	120.5993	3.416	3	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	122.6160	0.000	1	122.6160	0.000	1	120.8010	6.588	2	120.5993	3.416	3	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]O[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,6|H<1>}	120.1960	0.000	1	120.1960	0.000	1	120.1960	0.000	1	120.5993	3.416	3	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2{4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<4>,2|C<3>,8|H<1>}	111.9470	0.255	2	111.9470	0.065	2	111.9470	0.065	2	111.9470	0.065	2	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	C[6,6](C[6,6]N[6,6]O[6]H)(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]O[6]H)(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	111.4120	0.276	2	111.4120	0.076	2	111.4120	0.076	2	111.4120	0.076	2	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,7|C<3>}	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H){2|H<1>,8|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	117.6490	0.000	1	117.6490	0.000	1	117.6490	0.000	1	117.6490	0.000	1	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	115.0120	0.000	1	115.0120	0.000	1	115.0120	0.000	1	115.0120	0.000	1	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6,6a]	4:3:4:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	111.7145	0.660	2	111.7145	0.435	2	111.7145	0.435	2	111.7145	0.435	2	111.7786	6.089	94	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6,6a]	3:4:4:	3:2:1:1:	3:3:3:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6,6,6a]-3:C[6,6a,6a]-3:N[6,6]-3:	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)	C[6](N[6,6]C[6,6,6a]C[6,6])(O[6]C[6,6a])(H)2	C[6,6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6,6a,6a]C[3x6a]C[6,6a])(N[6,6]C[6,6]C[6])	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6,6a]C[6,6])(O[6]C[6,6a])(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6,6a,6a]C[3x6a]C[6,6a])(N[6,6]C[6,6]C[6]){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	110.8565	0.279	2	110.8565	0.078	2	110.8565	0.078	2	111.7487	2.427	3	117.1506	10.016	15	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6,6a]	3:4:4:	3:2:1:1:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6]-4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]O[6]HH)	C[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(H)2	C[6,6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6,6a]C[6a,6a]N[6])(N[6,6]C[6]2)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]O[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6,6a]C[6a,6a]N[6])(N[6,6]C[6]2){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	113.5330	0.000	1	113.5330	0.000	1	113.5330	0.000	1	111.7487	2.427	3	117.1506	10.016	15	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]O[6]HH)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6]HH)(H)2	C[6,6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6,6a]C[6a,6a]N[6])(N[6,6]C[6]2)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]O[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6,6a]C[6a,6a]N[6])(N[6,6]C[6]2){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	116.4590	0.000	1	116.4590	0.000	1	116.4590	0.000	1	118.5011	2.359	12	117.1506	10.016	15	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	117.3335	0.342	2	117.3335	0.117	2	118.6867	2.140	11	118.5011	2.359	12	117.1506	10.016	15	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	119.8275	1.323	2	119.8275	1.750	2	118.6867	2.140	11	118.5011	2.359	12	117.1506	10.016	15	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2){10|H<1>,1|C<3>,2|C<4>}	118.8247	1.242	4	118.7474	2.206	7	118.6867	2.140	11	118.5011	2.359	12	117.1506	10.016	15	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	119.7740	0.949	2	118.7474	2.206	7	118.6867	2.140	11	118.5011	2.359	12	117.1506	10.016	15	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2){1|C<3>,2|C<4>,2|O<1>,6|H<1>}	116.3850	0.000	1	118.7474	2.206	7	118.6867	2.140	11	118.5011	2.359	12	117.1506	10.016	15	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Br<1>,1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br){1|N<3>,2|C<3>,8|H<1>}	112.5090	0.000	1	112.5090	0.000	1	111.8956	2.177	5	111.8956	2.177	5	111.8956	2.177	5	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,7|H<1>}	109.2630	0.000	1	111.7422	2.746	4	111.8956	2.177	5	111.8956	2.177	5	111.8956	2.177	5	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	112.5687	0.148	3	111.7422	2.746	4	111.8956	2.177	5	111.8956	2.177	5	111.8956	2.177	5	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6]-3:N[6]-3:N[6]-3:C[6]-3:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6](C[6]C[6,6a]N)(N[6]C[6,6a]H)2(C[6]C[6]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|N<2>,3|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]N)(N[6]C[6,6a]H)2(C[6]C[6]H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|H<1>,1|N<3>,5|C<3>}	119.0430	1.725	2	119.0430	2.977	2	119.4390	1.959	3	119.4390	1.959	3	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6]-3:N[6]-3:N[6]-3:C[6]-3:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6](C[6]C[6,6a]O)(N[6]C[6,6a]H)2(C[6]C[6]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|O<1>,3|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]O)(N[6]C[6,6a]H)2(C[6]C[6]H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|H<1>,1|N<3>,5|C<3>}	120.2310	0.000	1	120.2310	0.000	1	119.4390	1.959	3	119.4390	1.959	3	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-3:N[6]-3:C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]H)(C[6]C[6]HH)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]H)(C[6]C[6]HH)2{1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<3>,2|H<1>,3|C<4>}	121.0140	0.000	1	121.0140	0.000	1	121.0140	0.000	1	121.6070	0.703	2	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:N[6]-3:C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	122.2000	0.000	1	122.2000	0.000	1	122.2000	0.000	1	121.6070	0.703	2	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	3:4:4:3:	3:2:3:	C[6,6a]-3:C[6,6]-4:H-1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(N[6]C[6,6]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	121.3390	0.000	1	121.3390	0.000	1	121.3390	0.000	1	121.3390	0.000	1	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	3:4:4:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|C<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>}	122.0870	0.000	1	122.0870	0.000	1	118.4535	5.979	4	118.4535	5.979	4	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	3:4:4:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	117.6890	0.000	1	117.2423	0.167	3	118.4535	5.979	4	118.4535	5.979	4	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	3:4:4:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	117.1500	0.000	1	117.2423	0.167	3	118.4535	5.979	4	118.4535	5.979	4	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	3:4:4:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H){1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	116.8880	0.000	1	117.2423	0.167	3	118.4535	5.979	4	118.4535	5.979	4	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	4:3:2:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	116.3450	0.000	1	116.3450	0.000	1	116.3450	0.000	1	116.3450	0.000	1	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	4:3:2:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:N[6]-3:O[6]-2:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(COO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(COO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	115.9030	0.000	1	115.9030	0.000	1	115.9030	0.000	1	115.9030	0.000	1	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]H)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<3>,2|H<1>,4|C<4>}	118.6620	0.000	1	118.6620	0.000	1	118.6620	0.000	1	118.6620	0.000	1	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:1:	4:3:4:4:	3:3:3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6]-4:N[6]-3:C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)	C[6,6](C[6]N[6]O[6]H)(N[6]C[6,6a]H)(C[6]C[6]HH)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]N[6]O[6]H)(N[6]C[6,6a]H)(C[6]C[6]HH)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	117.8770	0.000	1	117.8770	0.000	1	117.8770	0.000	1	117.8770	0.000	1	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:4:	3:2:2:4:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-4:	N[6]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(CCHH)	C[6,6](N[6]C[6,6a]C)(O[6,6]C[3x6])(O[6]C[6,6a])(CF3)	C[6,6a](C[6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[6,6](N[6]C[6,6a]C)(O[6,6]C[3x6])(O[6]C[6,6a])(CF3){5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	113.9610	0.000	1	113.9610	0.000	1	113.9610	0.000	1	113.9610	0.000	1	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:4:	3:3:3:2:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-4:	N[6]-3:C[6,6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(CCHH)	C[6,6](N[6]C[6,6a]C)(C[6,6]N[6]2)(C[6]N[6]O)(OC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(CCHH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6,6](N[6]C[6,6a]C)(C[6,6]N[6]2)(C[6]N[6]O)(OC){2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|O<2>,2|H<1>,3|C<3>}	120.3350	0.000	1	120.3350	0.000	1	120.3350	0.000	1	120.3350	0.000	1	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CCHH)	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CCHH){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,3|H<1>,4|C<4>}	121.0450	0.000	1	121.0450	0.000	1	118.8090	9.999	2	119.3295	2.731	6	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	116.5730	0.000	1	116.5730	0.000	1	118.8090	9.999	2	119.3295	2.731	6	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.1290	0.000	1	120.1290	0.000	1	119.5898	0.947	4	119.3295	2.731	6	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|S<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6,6]S){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	118.6760	0.000	1	118.6760	0.000	1	119.5898	0.947	4	119.3295	2.731	6	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|S<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	118.8700	0.000	1	118.8700	0.000	1	119.5898	0.947	4	119.3295	2.731	6	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,2|C<4>,3|H<1>}	120.6840	0.000	1	120.6840	0.000	1	119.5898	0.947	4	119.3295	2.731	6	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	4:3:1:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<3>,2|N<3>,4|H<1>}	116.9180	0.426	3	116.9180	0.181	3	116.9180	0.181	3	116.9180	0.181	3	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	4:3:1:	3:3:3:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:N[5a,6]-3:N[6]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[6,6a]N[5a,6]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6]C[6,6a]N[5a,6]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(C[6]C[6]HH){1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.7420	0.000	1	119.7420	0.000	1	119.7420	0.000	1	119.7420	0.000	1	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){2|H<1>,3|C<3>,3|C<4>}	115.4460	0.000	1	115.4460	0.000	1	114.9150	0.564	2	114.9150	0.564	2	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]O[6a]O)(N[6]C[6,6]H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]O[6a]O)(N[6]C[6,6]H){1|C<4>,2|H<1>,4|C<3>}	114.3840	0.000	1	114.3840	0.000	1	114.9150	0.564	2	114.9150	0.564	2	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6,6a]	4:3:1:	4:3:3:2:	3:3:3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,3|C<4>,5|C<3>}	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|N<3>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.9110	0.000	1	121.9110	0.000	1	121.9110	0.000	1	121.9110	0.000	1	118.5511	5.478	29	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)	C[6](N[6]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CF)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH){4|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CF)(H){1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	116.0240	0.000	1	116.0240	0.000	1	116.0240	0.000	1	116.0240	0.000	1	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	116.8790	0.000	1	116.8790	0.000	1	114.2120	5.390	3	114.2120	5.390	3	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	112.8785	0.333	2	112.8785	0.111	2	114.2120	5.390	3	114.2120	5.390	3	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:2:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-2:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6])(CCHH)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6])(CCHH)2{1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	118.8960	0.000	3	118.8960	0.000	3	118.8960	0.000	3	118.4474	0.387	5	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:2:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(H)	C[6](N[6]C[6,6a]H)(O[6]C[6])(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(O[6]C[6])(CH3)2{2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	117.7745	0.200	2	117.7745	0.040	2	117.7745	0.040	2	118.4474	0.387	5	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,5|H<1>}	115.9515	0.228	2	115.7050	0.208	3	115.7050	0.208	3	116.8692	5.561	4	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	115.2120	0.000	1	115.7050	0.208	3	115.7050	0.208	3	116.8692	5.561	4	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:N[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(H){2|C<4>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	120.3620	0.000	1	120.3620	0.000	1	120.3620	0.000	1	116.8692	5.561	4	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H){1|H<1>,1|N<3>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){3|H<1>,4|C<3>}	120.7560	0.000	1	120.7560	0.000	1	120.7560	0.000	1	117.5383	5.589	37	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	118.2590	0.000	1	118.2590	0.000	1	118.2590	0.000	1	117.5383	5.589	37	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6](C[6]C[3]C[6])(N[6]C[6,6a]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[3]C[6])(N[6]C[6,6a]H)(COO)(H){2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|H<1>,5|C<3>}	117.5710	0.000	1	117.5710	0.000	1	117.5710	0.000	1	117.5383	5.589	37	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	115.8840	0.000	1	115.8840	0.000	1	115.8840	0.000	1	117.5383	5.589	37	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]H)2(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]H)2(H){1|O<2>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	114.0475	1.275	2	114.0475	1.625	2	114.0475	1.625	2	117.5383	5.589	37	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]S)(H){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	118.6350	0.000	1	118.6350	0.000	1	118.6350	0.000	1	117.5383	5.589	37	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,1|N<2>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<2>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	122.7670	0.000	1	122.7670	0.000	1	122.7670	0.000	1	117.5383	5.589	37	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|N<3>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	124.3270	0.000	1	118.7998	9.663	5	118.7998	9.663	5	117.5383	5.589	37	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	117.7140	0.335	2	118.7998	9.663	5	118.7998	9.663	5	117.5383	5.589	37	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	117.1220	0.018	2	118.7998	9.663	5	118.7998	9.663	5	117.5383	5.589	37	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(H){1|H<1>,2|N<2>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	116.9400	0.000	1	116.9400	0.000	1	116.9400	0.000	1	117.5383	5.589	37	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCS)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCS)(H){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,4|H<1>}	120.1500	0.000	1	120.1500	0.000	1	120.1500	0.000	1	117.5383	5.589	37	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	114.5380	0.000	1	114.5380	0.000	1	114.5380	0.000	1	117.5383	5.589	37	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	120.3940	0.000	1	118.6073	5.857	3	117.4434	8.435	5	117.5383	5.589	37	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	117.7140	2.632	2	118.6073	5.857	3	117.4434	8.435	5	117.5383	5.589	37	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	113.2620	0.000	1	113.2620	0.000	1	117.4434	8.435	5	117.5383	5.589	37	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	118.1330	0.000	1	118.1330	0.000	1	117.4434	8.435	5	117.5383	5.589	37	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]H)2(CCH)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CH)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)2(CCH)(H){3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	116.7260	0.345	2	116.7260	0.119	2	116.7260	0.119	2	117.5383	5.589	37	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	120.1410	0.328	2	120.1410	0.108	2	117.9908	3.386	6	117.5383	5.589	37	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCH)(H){1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	116.9480	1.212	3	116.9480	1.470	3	117.9908	3.386	6	117.5383	5.589	37	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CC[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CC[6a]C)(H){1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	116.8190	0.000	1	116.8190	0.000	1	117.9908	3.386	6	117.5383	5.589	37	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[6,6a]H)2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)2(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	116.5888	1.176	8	116.5888	1.383	8	116.5888	1.383	8	117.5383	5.589	37	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5a]-3:N[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6a]N[6])(H)	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6a]N[6])(H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	115.1030	0.000	1	115.1030	0.000	1	115.1030	0.000	1	115.1030	0.000	1	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5a,6]-3:N[6]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CH3)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]C)(H){1|H<1>,1|N<3>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CH3){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	116.6190	0.000	1	116.6190	0.000	1	116.6190	0.000	1	119.0596	5.686	7	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5a]-3:N[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(CF3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(CF3){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	115.7950	0.000	1	115.7950	0.000	1	115.7950	0.000	1	119.0596	5.686	7	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[6]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CF3)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H){1|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CF3){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.7800	0.000	1	121.7800	0.000	1	121.7800	0.000	1	119.0596	5.686	7	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|C<2>,1|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,1|N<2>,2|N<3>,3|C<3>}	121.1640	0.000	1	121.1640	0.000	1	120.8040	0.259	2	119.0596	5.686	7	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	120.4440	0.000	1	120.4440	0.000	1	120.8040	0.259	2	119.0596	5.686	7	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:N[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H){2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	118.8075	1.904	2	118.8075	3.626	2	118.8075	3.626	2	119.0596	5.686	7	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5a]-3:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(H)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]C[6]CH)(H){1|B<3>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|B<3>,1|C<4>,2|C<3>,4|H<1>}	116.7990	0.000	1	116.7990	0.000	1	116.7990	0.000	1	118.1849	3.293	24	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[5]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[5]C[5]2Fe)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[5]H)(H){1|Fe<10>,1|H<1>,2|C<4>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[5]C[5]2Fe)(H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	120.3350	0.000	1	120.3350	0.000	1	120.3350	0.000	1	118.1849	3.293	24	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){2|H<1>,6|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	118.9030	0.000	1	118.9030	0.000	1	118.1502	3.294	22	118.1849	3.293	24	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	119.1590	0.000	1	119.1590	0.000	1	118.1502	3.294	22	118.1849	3.293	24	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Br<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	121.1515	0.989	2	118.4066	3.575	16	118.1502	3.294	22	118.1849	3.293	24	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	116.5640	0.000	1	118.4066	3.575	16	118.1502	3.294	22	118.1849	3.293	24	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	115.3700	0.000	1	118.4066	3.575	16	118.1502	3.294	22	118.1849	3.293	24	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.0040	2.050	3	118.4066	3.575	16	118.1502	3.294	22	118.1849	3.293	24	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	118.7080	0.000	1	118.4066	3.575	16	118.1502	3.294	22	118.1849	3.293	24	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	118.0554	0.947	5	118.4066	3.575	16	118.1502	3.294	22	118.1849	3.293	24	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	115.4110	0.000	1	118.4066	3.575	16	118.1502	3.294	22	118.1849	3.293	24	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	119.4300	0.341	2	118.4066	3.575	16	118.1502	3.294	22	118.1849	3.293	24	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	116.1990	0.000	1	116.1990	0.000	1	118.1502	3.294	22	118.1849	3.293	24	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HS)(H){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	118.4790	0.000	1	118.4790	0.000	1	118.1502	3.294	22	118.1849	3.293	24	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|O<2>,2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	116.0295	0.088	2	116.0295	0.008	2	118.1502	3.294	22	118.1849	3.293	24	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:3:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO){3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	123.9860	0.000	1	123.9860	0.000	1	121.3420	5.243	3	120.5795	5.821	4	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:3:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO){3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	120.0200	0.017	2	120.0200	0.000	2	121.3420	5.243	3	120.5795	5.821	4	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:3:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(COO){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	118.2920	0.000	1	118.2920	0.000	1	118.2920	0.000	1	120.5795	5.821	4	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[5,6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2{1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[5,6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	120.2410	0.000	1	120.2410	0.000	1	121.2056	1.339	5	119.9701	2.776	18	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2{1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	121.5535	1.336	2	121.5535	1.784	2	121.2056	1.339	5	119.9701	2.776	18	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2{2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	122.4270	0.000	1	121.3400	2.363	2	121.2056	1.339	5	119.9701	2.776	18	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2{4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.2530	0.000	1	121.3400	2.363	2	121.2056	1.339	5	119.9701	2.776	18	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)2{1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	122.7630	0.000	1	122.7630	0.000	1	122.7630	0.000	1	119.9701	2.776	18	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)2(CH3)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)2(CH3)2{3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	118.0357	0.616	3	118.0357	0.380	3	118.0357	0.380	3	119.9701	2.776	18	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CCHH)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CCHH)2{1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	120.3235	0.155	6	120.3235	0.024	6	119.6181	1.663	9	119.9701	2.776	18	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CH3)2{1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	116.7370	0.000	1	116.7370	0.000	1	119.6181	1.663	9	119.9701	2.776	18	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2{1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	119.6430	0.000	1	118.9425	0.981	2	119.6181	1.663	9	119.9701	2.776	18	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2{1|Pd<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Pd<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.2420	0.000	1	118.9425	0.981	2	119.6181	1.663	9	119.9701	2.776	18	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	120.4290	0.000	1	120.4290	0.000	1	120.4290	0.000	1	118.4617	5.379	9	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	117.2270	0.000	1	117.2270	0.000	1	118.2157	5.525	8	118.4617	5.379	9	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	119.4400	0.000	1	117.2585	9.518	2	118.2157	5.525	8	118.4617	5.379	9	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	115.0770	0.000	1	117.2585	9.518	2	118.2157	5.525	8	118.4617	5.379	9	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	119.0230	0.000	1	119.0230	0.000	1	118.2157	5.525	8	118.4617	5.379	9	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HN)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	121.4050	0.000	1	121.4050	0.000	1	118.2157	5.525	8	118.4617	5.379	9	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	120.8970	0.000	1	120.8970	0.000	1	118.2157	5.525	8	118.4617	5.379	9	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,5|H<1>}	116.3285	1.101	2	116.3285	1.212	2	118.2157	5.525	8	118.4617	5.379	9	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]CC)(CN)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[6](N[6]C[6,6a]H)(C[6]S[6]CC)(CN)(H){2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	122.1640	0.000	1	122.1640	0.000	1	122.1640	0.000	1	122.1640	0.000	1	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5a]-3:C[5,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(H){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	114.4370	0.000	1	114.4370	0.000	1	114.4370	0.000	1	115.4710	2.138	2	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(H){1|H<1>,1|N<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	116.5050	0.000	1	116.5050	0.000	1	116.5050	0.000	1	115.4710	2.138	2	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:4:3:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(COO){1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	122.7090	0.000	1	122.7090	0.000	1	122.7090	0.000	1	122.7090	0.000	1	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:C-4:	C[6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>}	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|H<1>,1|N<3>,3|C<3>,5|C<4>}	118.2690	0.000	1	118.2690	0.000	1	118.2690	0.000	1	118.2690	0.000	1	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]C[6a]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	114.6630	0.000	1	114.6630	0.000	1	114.6630	0.000	1	117.1458	2.785	33	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	116.8740	0.000	1	116.8740	0.000	1	116.8740	0.000	1	117.1458	2.785	33	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(COO)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(COO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	116.5170	0.000	1	116.5170	0.000	1	116.5170	0.000	1	117.1458	2.785	33	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){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]H)(C[6a]C[6a]2)(H){1|Br<1>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	116.4900	0.000	1	117.3953	3.036	6	117.3120	2.704	10	117.1458	2.785	33	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){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]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	118.9640	1.492	2	117.3953	3.036	6	117.3120	2.704	10	117.1458	2.785	33	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){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]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	116.2450	2.135	2	117.3953	3.036	6	117.3120	2.704	10	117.1458	2.785	33	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){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]H)(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	117.4640	0.000	1	117.3953	3.036	6	117.3120	2.704	10	117.1458	2.785	33	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	116.2640	0.000	1	116.2640	0.000	1	117.3120	2.704	10	117.1458	2.785	33	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){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]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	118.6320	0.396	2	118.6320	0.157	2	117.3120	2.704	10	117.1458	2.785	33	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	115.2200	0.000	1	115.2200	0.000	1	117.3120	2.704	10	117.1458	2.785	33	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	117.8200	0.000	1	117.8200	0.000	1	118.7191	1.721	7	117.1458	2.785	33	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	118.6230	0.721	2	119.0657	0.848	3	118.7191	1.721	7	117.1458	2.785	33	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.9510	0.000	1	119.0657	0.848	3	118.7191	1.721	7	117.1458	2.785	33	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.6550	0.000	1	120.6550	0.000	1	118.7191	1.721	7	117.1458	2.785	33	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]O[6a]O)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]O[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	117.6810	1.249	2	117.6810	1.559	2	118.7191	1.721	7	117.1458	2.785	33	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	116.3910	0.000	1	116.3910	0.000	1	116.4312	1.965	13	117.1458	2.785	33	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6a]N[6]C)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|N<3>,6|C<3>}	C[6](C[6]C[6a]N[6]C)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	116.6490	0.000	1	116.6490	0.000	1	116.4312	1.965	13	117.1458	2.785	33	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	116.7555	1.798	2	116.4150	2.353	11	116.4312	1.965	13	117.1458	2.785	33	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	116.3393	1.582	9	116.4150	2.353	11	116.4312	1.965	13	117.1458	2.785	33	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	113.7830	0.000	1	113.7830	0.000	1	113.7830	0.000	1	113.7830	0.000	1	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(N[6]C[6]C)	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[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(N[6]C[6]C){1|C<3>,1|C<4>,1|F<1>,3|H<1>}	112.0400	0.390	2	112.0400	0.152	2	112.0400	0.152	2	112.4443	0.567	3	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	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[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	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[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	113.2530	0.000	1	113.2530	0.000	1	113.2530	0.000	1	112.4443	0.567	3	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:2:4:2:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:O[6]-2:C-4:N-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CN)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(O[6]C[6])(CH3)(NC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CN)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]S)(O[6]C[6])(CH3)(NC){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	111.2660	0.000	1	111.2660	0.000	1	111.2660	0.000	1	111.2660	0.000	1	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	119.2870	0.000	1	119.2870	0.000	1	119.2870	0.000	1	113.4245	4.195	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CCHH){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){4|H<1>,5|C<3>}	110.6270	0.000	1	110.6270	0.000	1	111.5283	0.479	6	113.4245	4.195	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3){5|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(H)2{1|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){4|H<1>,5|C<3>}	111.2760	0.115	2	111.2760	0.013	2	111.5283	0.479	6	113.4245	4.195	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){4|H<1>,5|C<3>}	111.6605	0.322	2	111.9970	0.391	3	111.5283	0.479	6	113.4245	4.195	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){4|H<1>,5|C<3>}	112.6700	0.000	1	111.9970	0.391	3	111.5283	0.479	6	113.4245	4.195	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(H)2{2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	115.3800	0.000	1	115.3800	0.000	1	113.5970	6.358	2	113.4245	4.195	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6]O[6]C)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]O[6]C)(H)2{2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	111.8140	0.000	1	111.8140	0.000	1	113.5970	6.358	2	113.4245	4.195	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C[6](N[6]C[6,6a]C)2(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)2(H)2{3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	114.4880	0.444	2	114.4880	0.197	2	114.4880	0.197	2	113.4245	4.195	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	C[6](N[6]C[6,6a]C)(N[6]S[6]C)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	116.6890	0.000	1	116.6890	0.000	1	116.6890	0.000	1	113.4245	4.195	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	113.3880	0.000	1	113.3880	0.000	1	113.3880	0.000	1	113.4245	4.195	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|O<2>,3|C<3>,3|H<1>}	111.0450	0.000	1	112.7370	2.856	4	112.7370	2.856	4	113.4245	4.195	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	111.5410	0.000	1	112.7370	2.856	4	112.7370	2.856	4	113.4245	4.195	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	114.1810	0.322	2	112.7370	2.856	4	112.7370	2.856	4	113.4245	4.195	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6a]O[6])(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6])(N[6]C[6,6a]S)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,4|H<1>}	112.9660	0.000	1	112.9660	0.000	1	112.9660	0.000	1	113.4245	4.195	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|Br<1>,1|C<4>,3|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2{3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]S){3|C<3>,4|H<1>}	112.8620	0.000	1	112.8620	0.000	1	113.8564	1.804	7	113.4245	4.195	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	112.0490	0.000	1	113.6470	2.264	3	113.8564	1.804	7	113.4245	4.195	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2{3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	115.0370	0.000	1	113.6470	2.264	3	113.8564	1.804	7	113.4245	4.195	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,5|H<1>}	113.8550	0.000	1	113.6470	2.264	3	113.8564	1.804	7	113.4245	4.195	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]H)(H)2{3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,3|H<1>}	112.7080	0.000	1	112.7080	0.000	1	113.8564	1.804	7	113.4245	4.195	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]N[6]C)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]S)(C[6]N[6]C)(H)2{1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S){1|S<4>,2|C<3>,4|H<1>}	115.2420	0.120	2	115.2420	0.014	2	113.8564	1.804	7	113.4245	4.195	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CN)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CN)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,3|C<3>,3|H<1>}	114.1370	0.000	1	114.1370	0.000	1	114.1370	0.000	1	116.1873	7.071	4	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HO)(CH3)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(OC)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HO)(CH3){5|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(OC)(H){1|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){1|O<2>,3|H<1>,5|C<3>}	115.4980	2.075	2	115.4980	4.304	2	115.4980	4.304	2	116.1873	7.071	4	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(OH)(H){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<2>,2|C<3>,4|H<1>}	119.6160	0.000	1	119.6160	0.000	1	119.6160	0.000	1	116.1873	7.071	4	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[5a]-3:N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]C)(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]C)(C[6]N[6]O)(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	118.9317	0.446	3	118.9317	0.199	3	118.9317	0.199	3	115.4666	10.824	10	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CH3)	C[6](N[5,6]C[5,6]O[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](N[5,6]C[5,6]O[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	118.1940	0.000	1	118.1940	0.000	1	118.1940	0.000	1	115.4666	10.824	10	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH){2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	114.5190	0.371	2	114.5190	0.137	2	114.5190	0.137	2	115.4666	10.824	10	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH)	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH){1|C<4>,1|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|H<1>,4|C<3>}	109.8260	0.000	1	109.8260	0.000	1	109.8260	0.000	1	115.4666	10.824	10	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	116.0260	0.000	1	116.0260	0.000	1	116.0260	0.000	1	115.4666	10.824	10	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[5a,6]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[5a]H)(SC[6a]OO)	C[6](C[5a,6]N[5a,6]C[5a])(C[5a]C[5a]O[5a])(N[6]C[6,6a]S)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[5a]H)(SC[6a]OO){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5a]C[5a]O[5a])(N[6]C[6,6a]S)(H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|Br<1>,2|H<1>,4|C<3>}	112.9440	0.000	1	112.9440	0.000	1	112.9440	0.000	1	115.4666	10.824	10	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(N[6]C[6]C)(CC[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]S)(N[6]C[6]C)(CC[6a]C)(H){1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	111.8430	0.000	1	111.8430	0.000	1	111.8430	0.000	1	115.4666	10.824	10	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(SC[6a]OO){2|H<1>,7|C<3>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)2(C[6]C[6]H){1|S<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|S<2>,2|H<1>,4|C<3>}	112.9010	0.000	1	112.0990	1.286	2	112.0990	1.286	2	112.0990	1.286	2	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(SC[6a]OO){2|H<1>,7|C<3>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)2(C[6]C[6]H){4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|H<1>,1|O<2>,5|C<3>}	111.2970	0.000	1	112.0990	1.286	2	112.0990	1.286	2	112.0990	1.286	2	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H){1|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){1|C<4>,3|H<1>,5|C<3>}	112.1390	0.000	1	112.1390	0.000	1	112.3115	0.060	2	115.3797	8.972	15	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CCHH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CCHH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){1|C<4>,3|H<1>,5|C<3>}	112.4840	0.000	1	112.4840	0.000	1	112.3115	0.060	2	115.3797	8.972	15	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H){1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	114.9850	0.000	1	114.9850	0.000	1	117.9413	6.605	3	115.3797	8.972	15	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	119.4195	0.316	2	119.4195	0.100	2	117.9413	6.605	3	115.3797	8.972	15	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:P-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(PO3)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(CC[6a]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(PO3)(H){2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|P<4>,2|C<3>,3|H<1>}	114.1950	0.000	1	114.1950	0.000	1	114.1950	0.000	1	115.3797	8.972	15	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	118.6310	0.000	1	118.6310	0.000	1	118.6310	0.000	1	115.3797	8.972	15	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<4>,4|C<3>,4|H<1>}	114.7140	0.000	1	114.7140	0.000	1	114.7140	0.000	1	115.3797	8.972	15	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:P-4:	C[6]-3:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(PC[6a]2Ir)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]P)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]P)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(PC[6a]2Ir){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a]P)(C[6]C[6]HH)(H){1|Ir<6>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]P){1|C<4>,2|C<3>,5|H<1>}	110.7520	0.000	1	110.7520	0.000	1	110.7520	0.000	1	115.3797	8.972	15	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(CH3)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(SC[6a]OO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(CH3)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,3|H<1>}	114.8910	0.000	1	114.8910	0.000	1	114.8910	0.000	1	115.3797	8.972	15	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H){3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,3|H<1>}	113.5563	0.328	3	113.5563	0.108	3	113.5563	0.108	3	115.3797	8.972	15	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CC)(H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	119.6510	0.000	1	119.6510	0.000	1	119.1980	0.410	2	115.3797	8.972	15	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CF)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|C<4>,1|F<1>,1|H<1>,5|C<3>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CF)(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	118.7450	0.000	1	118.7450	0.000	1	119.1980	0.410	2	115.3797	8.972	15	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	C[6](N[6]C[6,6a]C)2(CCHH)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)2(CCHH)(CH3){3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	116.2015	0.241	2	116.2015	0.058	2	118.0507	10.287	3	118.0507	10.287	3	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	C[6](N[6]C[6,6a]C)2(CCHH)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)2(CCHH)2{3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	121.7490	0.000	1	121.7490	0.000	1	118.0507	10.287	3	118.0507	10.287	3	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	112.7400	0.000	1	112.7400	0.000	1	115.3853	15.785	3	114.8563	4.481	9	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	113.4620	0.000	1	113.4620	0.000	1	115.3853	15.785	3	114.8563	4.481	9	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]N[6])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]N[6])(N[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,4|C<4>}	119.9540	0.000	1	119.9540	0.000	1	115.3853	15.785	3	114.8563	4.481	9	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SCOO)	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SCOO){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,6|H<1>}	114.9855	0.121	2	114.9855	0.015	2	114.5918	0.604	6	114.8563	4.481	9	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,6|H<1>}	115.1495	0.101	2	115.1495	0.010	2	114.5918	0.604	6	114.8563	4.481	9	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]S)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,5|H<1>}	113.9960	0.000	1	113.9960	0.000	1	114.5918	0.604	6	114.8563	4.481	9	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]S)(C[6]O[6]CH)(H)2{2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,4|H<1>}	113.2850	0.000	1	113.2850	0.000	1	114.5918	0.604	6	114.8563	4.481	9	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[3]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]N[6]H)(CH3)	C[6](N[6]C[6,6a]C)(C[3]C[3]2H)(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]N[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[3]C[3]2H)(N[6]C[6]N)(H){1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	116.2350	0.000	1	116.2350	0.000	1	116.2350	0.000	1	116.2350	0.000	1	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]HN)(CF3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]S)(C[6]C[6]HN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,3|C<4>,4|H<1>}	117.1890	0.716	2	117.1890	0.512	2	118.1203	2.858	3	118.1203	2.858	3	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]S[6]CH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]S)(C[6]S[6]CH)(CCHH)(H){2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,3|H<1>}	119.9830	0.000	1	119.9830	0.000	1	118.1203	2.858	3	118.1203	2.858	3	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	112.7370	0.996	5	113.3290	2.897	6	113.4923	2.600	7	115.2816	7.808	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	116.2890	0.000	1	113.3290	2.897	6	113.4923	2.600	7	115.2816	7.808	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	114.4720	0.000	1	114.4720	0.000	1	113.4923	2.600	7	115.2816	7.808	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6,6a]-3:C[6a,6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3)	C[6](C[6]N[6,6]HH)(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a,6a]C[3x6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]N[6,6]HH)(N[6]C[6,6a]C)(H)2{1|C<4>,2|C<3>}	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a,6a]C[3x6a]C[6a])(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	110.5290	0.000	1	110.5290	0.000	1	110.5290	0.000	1	115.2816	7.808	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(CH3){3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6,6a]C)(H)2{3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	118.5270	0.000	1	118.5270	0.000	1	118.5270	0.000	1	115.2816	7.808	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-4:N[6]-3:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C[6](N[6]C[6,6a]RuC)(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]RuC)(N[6]C[6,6a]C)(H)2{3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<4>,3|C<3>,3|H<1>}	113.5510	0.000	1	113.5510	0.000	1	113.5510	0.000	1	115.2816	7.808	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]S)(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,4|H<1>}	113.5130	0.161	2	113.5130	0.026	2	113.5130	0.026	2	115.2816	7.808	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SCOO)	C[6](C[5,6]C[5,6a]C[5]O[6])(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SCOO){1|H<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(N[6]C[6,6a]S)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,3|H<1>}	113.5220	0.000	1	113.5220	0.000	1	116.2530	15.914	3	115.2816	7.808	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.8310	0.000	1	120.8310	0.000	1	116.2530	15.914	3	115.2816	7.808	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	114.4060	0.000	1	114.4060	0.000	1	116.2530	15.914	3	115.2816	7.808	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	118.5240	0.000	1	119.5193	0.795	3	118.0552	4.832	5	115.2816	7.808	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.7890	0.000	1	119.5193	0.795	3	118.0552	4.832	5	115.2816	7.808	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	120.2450	0.000	1	119.5193	0.795	3	118.0552	4.832	5	115.2816	7.808	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){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]S)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	115.8590	1.288	2	115.8590	1.660	2	118.0552	4.832	5	115.2816	7.808	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]S)(H)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]S)(H)2{1|N<3>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	118.7540	0.000	1	118.7540	0.000	1	118.7540	0.000	1	115.2816	7.808	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SCOO)	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SCOO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]S)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	114.7400	0.000	1	114.7400	0.000	1	115.0433	0.745	4	115.2816	7.808	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[5]C[6]H)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]C[6]H)(N[6]C[6,6a]S)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	116.2210	0.000	1	116.2210	0.000	1	115.0433	0.745	4	115.2816	7.808	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(H)2{1|C<2>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<2>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	115.0390	0.000	1	115.0390	0.000	1	115.0433	0.745	4	115.2816	7.808	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]S)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,4|H<1>}	114.1730	0.000	1	114.1730	0.000	1	115.0433	0.745	4	115.2816	7.808	25	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[5,6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO)	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,4|H<1>}	116.4760	0.000	1	116.4760	0.000	1	117.3075	1.383	2	118.3700	4.078	3	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[5,6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO)	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(COO)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	118.1390	0.000	1	118.1390	0.000	1	117.3075	1.383	2	118.3700	4.078	3	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO){1|C<4>,1|H<1>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	120.4950	0.000	1	120.4950	0.000	1	120.4950	0.000	1	118.3700	4.078	3	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(CH3)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,3|H<1>}	119.8710	0.000	1	119.8710	0.000	1	119.8710	0.000	1	118.6145	1.175	4	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(CCHH)(H){1|C<2>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	117.4270	0.000	1	117.4270	0.000	1	117.4270	0.000	1	118.6145	1.175	4	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(SC[6a]OO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	118.5800	0.731	2	118.5800	0.535	2	118.5800	0.535	2	118.6145	1.175	4	116.7586	8.645	261	115.6198	13.023	416
856	466	643	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:4:	4:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	Si[6]-4:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]Si[6]CC)(CCHH)	C[6](Si[6]Si[5]N[6]Cl)(N[6]C[6,6a]C)(CH3)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]Si[6]CC)(CCHH){1|Cl<1>,1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](Si[6]Si[5]N[6]Cl)(N[6]C[6,6a]C)(CH3)2{1|Cl<1>,1|C<4>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	111.5570	0.000	1	111.5570	0.000	1	111.5570	0.000	1	111.5570	0.000	1	116.7586	8.645	261	115.6198	13.023	416