811	643	830	0:SP3_SP-NON_SP2	B[6a]	C[6a,6a]	F	3:3:1:1:	3:4:3:	4:	C[6a,6a]-3:N[6,6a]-3:F-1:F-1:	C[3x6a]-3:B[6a]-4:C[6a]-3:	B[6a]-4:	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(F)2	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]FF)(C[6a]C[6a]H)	F(B[6a]C[6a,6a]N[6,6a]F)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(F)2{2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]FF)(C[6a]C[6a]H){1|H<1>,5|C<3>}	F(B[6a]C[6a,6a]N[6,6a]F)	113.0675	0.689	2	113.0675	0.475	2	113.0675	0.475	2	113.0675	0.475	2	113.0675	0.475	2	114.0230	2.977	3
811	643	830	0:SP3_SP-NON_SP2	B[6a]	C[6a]	F	3:3:3:1:	4:3:3:	4:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:F-1:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(F)	C[6a](B[6a]N[5a,6a]2F)(C[6a]C[6a]H)2	F(B[6a]N[5a,6a]2C[6a])	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(F){1|B<4>,2|H<1>,2|N<3>,6|C<3>}	C[6a](B[6a]N[5a,6a]2F)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	F(B[6a]N[5a,6a]2C[6a])	115.9340	0.000	1	115.9340	0.000	1	115.9340	0.000	1	115.9340	0.000	1	115.9340	0.000	1	114.0230	2.977	3
811	643	856	0:SP3_SP2_SP2	B[3x6a]	C[3x6a]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	C[3x6a]-3:C[3x6a]-3:C[3x6a]-3:N[6]-3:	B[3x6a]-4:C[6a,6a]-3:C[6a,6a]-3:	B[3x6a]-4:C[6]-3:C[6]-3:	B[3x6a](C[3x6a]C[6a,6a]2)3(N[6]C[6]2)	C[3x6a](B[3x6a]C[3x6a]2N[6])(C[6a,6a]C[6a]O[6a])2	N[6](B[3x6a]C[3x6a]3)(C[6]C[6]H)2	B[3x6a](C[3x6a]C[6a,6a]2)3(N[6]C[6]2){2|H<1>,3|O<2>,8|C<3>}	C[3x6a](B[3x6a]C[3x6a]2N[6])(C[6a,6a]C[6a]O[6a])2{2|H<1>,7|C<3>}	N[6](B[3x6a]C[3x6a]3)(C[6]C[6]H)2{2|H<1>,7|C<3>}	111.6700	0.846	6	111.6700	0.716	6	111.6700	0.716	6	111.6700	0.716	6	111.6700	0.716	6	109.0663	8.462	13
811	643	856	0:SP3_SP2_SP2	B[6a,6a]	C[3x6a]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:N[6]-3:	B[6a,6a]-4:C[6a,6a]-3:C[6a,6a]-3:	B[6a,6a]-4:C[6]-3:C[6]-3:	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)(N[6]C[6]2)	C[3x6a](B[6a,6a]C[6a,6a]2N[6])(C[6a,6a]C[6a]O[6a])2	N[6](B[6a,6a]C[6a,6a]2C[3x6a])(C[6]C[6]H)2	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)(N[6]C[6]2){2|O<2>,4|H<1>,8|C<3>}	C[3x6a](B[6a,6a]C[6a,6a]2N[6])(C[6a,6a]C[6a]O[6a])2{1|Ir<6>,1|H<1>,7|C<3>}	N[6](B[6a,6a]C[6a,6a]2C[3x6a])(C[6]C[6]H)2{2|H<1>,7|C<3>}	107.5150	1.899	2	107.5150	3.607	2	107.5150	3.607	2	107.5150	3.607	2	107.5150	3.607	2	109.0663	8.462	13
811	643	856	0:SP3_SP2_SP2	B[6a,6a]	C[6a,6a]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:N[6]-3:	B[6a,6a]-4:C[6a,6a]-3:C[6a]-3:	B[6a,6a]-4:C[6]-3:C[6]-3:	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)(N[6]C[6]2)	C[6a,6a](B[6a,6a]C[6a,6a]C[3x6a]N[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	N[6](B[6a,6a]C[6a,6a]2C[3x6a])(C[6]C[6]H)2	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)(N[6]C[6]2){2|O<2>,4|H<1>,8|C<3>}	C[6a,6a](B[6a,6a]C[6a,6a]C[3x6a]N[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	N[6](B[6a,6a]C[6a,6a]2C[3x6a])(C[6]C[6]H)2{2|H<1>,7|C<3>}	106.1235	2.134	4	106.1235	4.554	4	106.1235	4.554	4	106.1235	4.554	4	106.1235	4.554	4	109.0663	8.462	13
811	643	856	0:SP3_SP2_SP2	B[6a]	C[6a]	N[6]	3:2:2:3:	4:3:3:	4:3:3:	C[6a]-3:O[6a]-2:O[6a]-2:N[6]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C[6]-3:C[6]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(N[6]C[6]2)	C[6a](B[6a]O[6a]2N[6])(C[6a]C[6a]H)2	N[6](B[6a]C[6a]O[6a]2)(C[6]C[6]H)2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(N[6]C[6]2){1|O<2>,4|H<1>,6|C<3>}	C[6a](B[6a]O[6a]2N[6])(C[6a]C[6a]H)2{2|B<3>,2|H<1>,3|C<3>}	N[6](B[6a]C[6a]O[6a]2)(C[6]C[6]H)2{2|B<3>,2|H<1>,3|C<3>}	108.3180	0.000	1	108.3180	0.000	1	108.3180	0.000	1	108.3180	0.000	1	108.3180	0.000	1	109.0663	8.462	13
811	643	856	6:SP3_SP2_SP2	B[6,6a]	C[6,6a]	N[6]	3:2:2:3:	4:3:3:	4:3:1:	C[6,6a]-3:O[6a]-2:O[6a]-2:N[6]-3:	B[6,6a]-4:C[6,6a]-3:C[6a]-3:	B[6,6a]-4:C[6]-3:H-1:	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H)	C[6,6a](B[6,6a]O[6a]2N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](B[6,6a]C[6,6a]O[6a]2)(C[6]N[6]C)(H)	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](B[6,6a]O[6a]2N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[6](B[6,6a]C[6,6a]O[6a]2)(C[6]N[6]C)(H){1|H<1>,4|C<3>}	107.9815	0.223	2	107.9815	0.050	2	107.9815	0.050	2	107.9815	0.050	2	107.9815	0.050	2	107.9815	0.050	2
811	643	892	0:SP3_SP2_SP3	B[6a]	C[6a]	N	3:2:2:4:	4:3:3:	4:4:1:1:	C[6a]-3:O[6a]-2:O[6a]-2:N-4:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C-4:H-1:H-1:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(NCHH)	C[6a](B[6a]O[6a]2N)(C[6a]C[6a]H)2	N(B[6a]C[6a]O[6a]2)(CC[6a]HH)(H)2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(NCHH){1|O<2>,2|H<1>,4|C<3>}	C[6a](B[6a]O[6a]2N)(C[6a]C[6a]H)2{1|C<3>,2|B<3>,2|F<1>}	N(B[6a]C[6a]O[6a]2)(CC[6a]HH)(H)2	107.1770	0.000	1	107.8683	9.079	3	107.8683	9.079	3	107.8683	9.079	3	107.8683	9.079	3	107.8683	9.079	3
811	643	892	0:SP3_SP2_SP3	B[6a]	C[6a]	N	3:2:2:4:	4:3:3:	4:4:1:1:	C[6a]-3:O[6a]-2:O[6a]-2:N-4:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C-4:H-1:H-1:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(NCHH)	C[6a](B[6a]O[6a]2N)(C[6a]C[6a]H)2	N(B[6a]C[6a]O[6a]2)(CC[6a]HH)(H)2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(NCHH){1|O<2>,2|H<1>,4|C<3>}	C[6a](B[6a]O[6a]2N)(C[6a]C[6a]H)2{1|C<3>,2|B<3>,2|H<1>}	N(B[6a]C[6a]O[6a]2)(CC[6a]HH)(H)2	108.2140	4.176	2	107.8683	9.079	3	107.8683	9.079	3	107.8683	9.079	3	107.8683	9.079	3	107.8683	9.079	3
811	643	893	0:SP3_SP2_SP2	B[6a]	C[6a]	O	3:3:3:2:	4:3:3:	4:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:B[5]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[5])	C[6a](B[6a]C[5a,6a]N[5a,6a]O)(C[6a]C[6a]H)2	O(B[6a]C[5a,6a]N[5a,6a]C[6a])(B[5]O[5]2)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[5]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]O)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	O(B[6a]C[5a,6a]N[5a,6a]C[6a])(B[5]O[5]2)	107.5880	0.000	1	107.5880	0.000	1	107.5880	0.000	1	107.5880	0.000	1	107.5880	0.000	1	107.5880	0.000	1
811	643	893	0:SP3_SP2_SP3	B[6,6a]	C[6,6a]	O	3:3:2:2:	4:3:3:	4:4:	C[6,6a]-3:N[6,6a]-3:O[6a]-2:O-2:	B[6,6a]-4:C[6,6a]-3:C[6a]-3:	B[6,6a]-4:C-4:	B[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(O[6a]B[6a])(OC)	C[6,6a](B[6,6a]N[6,6a]O[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	O(B[6,6a]C[6,6a]N[6,6a]O[6a])(CH3)	B[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(O[6a]B[6a])(OC){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](B[6,6a]N[6,6a]O[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	O(B[6,6a]C[6,6a]N[6,6a]O[6a])(CH3)	113.7600	0.000	1	113.7600	0.000	1	113.7600	0.000	1	113.7600	0.000	1	113.7600	0.000	1	109.1349	11.351	8
811	643	893	0:SP3_SP2_SP3	B[6a]	C[6a]	O	3:2:2:2:	4:3:3:	4:4:	C[6a]-3:O[6a]-2:O[6a]-2:O-2:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:N-4:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(ON)	C[6a](B[6a]O[6a]2O)(C[6a]C[6a]H)2	O(B[6a]C[6a]O[6a]2)(NC[6]HH)	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(ON){1|O<2>,2|H<1>,4|C<3>}	C[6a](B[6a]O[6a]2O)(C[6a]C[6a]H)2{1|C<3>,2|B<3>,2|H<1>}	O(B[6a]C[6a]O[6a]2)(NC[6]HH)	104.8180	0.000	1	104.8180	0.000	1	104.8180	0.000	1	104.8180	0.000	1	108.4741	9.169	7	109.1349	11.351	8
811	643	893	0:SP3_SP2_SP3	B[6a]	C[6a]	O	3:3:3:2:	4:3:3:	4:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:N[6]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(ON[6])	C[6a](B[6a]C[5a,6a]N[5a,6a]O)(C[6a]C[6a]H)2	O(B[6a]C[5a,6a]N[5a,6a]C[6a])(N[6]C[6]2)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(ON[6]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]O)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	O(B[6a]C[5a,6a]N[5a,6a]C[6a])(N[6]C[6]2)	106.2200	3.784	2	106.2200	14.322	2	106.2200	14.322	2	106.2200	14.322	2	108.4741	9.169	7	109.1349	11.351	8
811	643	893	0:SP3_SP2_SP3	B[6a]	C[6a]	O	3:3:3:2:	4:3:3:	4:4:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:B[6a]-4:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[6a])	C[6a](B[6a]C[5a,6a]N[5a,6a]O)(C[6a]C[6a]H)2	O(B[6a]C[5a,6a]N[5a,6a]C[6a])2	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[6a]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]O)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	O(B[6a]C[5a,6a]N[5a,6a]C[6a])2	110.5153	0.407	4	110.5153	0.165	4	110.5153	0.165	4	110.5153	0.165	4	108.4741	9.169	7	109.1349	11.351	8
811	643	914	0:SP3_SP2_SP2	B[6,6,6a]	C[6a]	N[6,6]	3:3:2:3:	4:3:3:	4:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:N[6,6]-2:C[6a]-3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:C[6,6]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(N[6,6]C[6,6])(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]N[6,6])(C[6a]C[6a]H)2	N[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a])	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(N[6,6]C[6,6])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]N[6,6])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,4|C<3>}	N[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]){2|N<3>,7|C<3>}	115.1980	0.000	1	115.1980	0.000	1	115.1980	0.000	1	115.1980	0.000	1	115.1980	0.000	1	115.1980	0.000	1
811	643	933	0:SP3_SP2_SP2	B[6,6a]	C[6,6a]	O[6a]	3:2:2:3:	4:3:3:	4:3:	C[6,6a]-3:O[6a]-2:O[6a]-2:N[6]-3:	B[6,6a]-4:C[6,6a]-3:C[6a]-3:	B[6,6a]-4:C[6a,6a]-3:	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H)	C[6,6a](B[6,6a]O[6a]2N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	O[6a](B[6,6a]C[6,6a]O[6a]N[6])(C[6a,6a]C[6a,6a]C[6a])	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](B[6,6a]O[6a]2N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	O[6a](B[6,6a]C[6,6a]O[6a]N[6])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	113.3075	1.059	2	113.3075	1.121	2	113.3075	1.121	2	111.8290	4.724	4	112.0454	3.777	5	112.1566	1.378	20
811	643	933	0:SP3_SP2_SP2	B[6,6a]	C[6,6a]	O[6a]	3:2:2:3:	4:3:3:	4:3:	C[6,6a]-3:O[6a]-2:O[6a]-2:N[6]-3:	B[6,6a]-4:C[6,6a]-3:C[6a]-3:	B[6,6a]-4:C[6a]-3:	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H)	C[6,6a](B[6,6a]O[6a]2N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	O[6a](B[6,6a]C[6,6a]O[6a]N[6])(C[6a]C[6a,6a]O)	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](B[6,6a]O[6a]2N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	O[6a](B[6,6a]C[6,6a]O[6a]N[6])(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	110.3505	2.075	2	110.3505	4.307	2	110.3505	4.307	2	111.8290	4.724	4	112.0454	3.777	5	112.1566	1.378	20
811	643	933	0:SP3_SP2_SP2	B[6,6a]	C[6,6a]	O[6a]	3:3:2:2:	4:3:3:	4:3:	C[6,6a]-3:N[6,6a]-3:O[6a]-2:O-2:	B[6,6a]-4:C[6,6a]-3:C[6a]-3:	B[6,6a]-4:B[6a]-3:	B[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(O[6a]B[6a])(OC)	C[6,6a](B[6,6a]N[6,6a]O[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	O[6a](B[6,6a]C[6,6a]N[6,6a]O)(B[6a]C[6a,6a]O)	B[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(O[6a]B[6a])(OC){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](B[6,6a]N[6,6a]O[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	O[6a](B[6,6a]C[6,6a]N[6,6a]O)(B[6a]C[6a,6a]O){5|C<3>}	112.9110	0.000	1	112.9110	0.000	1	112.9110	0.000	1	112.9110	0.000	1	112.0454	3.777	5	112.1566	1.378	20
811	643	933	0:SP3_SP2_SP2	B[6,6a]	C[6a]	O[6a]	3:3:2:2:	4:3:3:	4:3:	N[6,6a]-3:C[6a]-3:O[6]-2:O[6a]-2:	B[6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6a]-4:C[6a]-3:	B[6,6a](N[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6a]C[6a])	C[6a](B[6,6a]N[6,6a]O[6a]O[6])(C[6a]C[6a]H)2	O[6a](B[6,6a]N[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)	B[6,6a](N[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6a]C[6a]){1|O<1>,3|H<1>,6|C<3>}	C[6a](B[6,6a]N[6,6a]O[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	O[6a](B[6,6a]N[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O){6|C<3>}	111.9597	1.252	3	111.9597	1.566	3	111.9597	1.566	3	111.9597	1.566	3	111.9597	1.566	3	112.1566	1.378	20
811	643	933	0:SP3_SP2_SP2	B[6a]	C[6a]	O[6a]	3:2:2:2:	4:3:3:	4:3:	C[6a]-3:O[6a]-2:O[6a]-2:O-2:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(ON)	C[6a](B[6a]O[6a]2O)(C[6a]C[6a]H)2	O[6a](B[6a]C[6a]O[6a]O)(B[6a]C[6a]O[6a])	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(ON){1|O<2>,2|H<1>,4|C<3>}	C[6a](B[6a]O[6a]2O)(C[6a]C[6a]H)2{1|C<3>,2|B<3>,2|H<1>}	O[6a](B[6a]C[6a]O[6a]O)(B[6a]C[6a]O[6a]){1|B<3>,4|C<3>}	112.7180	0.496	2	112.7180	0.246	2	112.7180	0.246	2	112.7180	0.246	2	112.2522	0.695	12	112.1566	1.378	20
811	643	933	0:SP3_SP2_SP2	B[6a]	C[6a]	O[6a]	3:2:2:3:	4:3:3:	4:3:	C[6a]-3:O[6a]-2:O[6a]-2:N[6]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(N[6]C[6]2)	C[6a](B[6a]O[6a]2N[6])(C[6a]C[6a]H)2	O[6a](B[6a]C[6a]O[6a]N[6])(B[6a]C[6a]O[6a])	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(N[6]C[6]2){1|O<2>,4|H<1>,6|C<3>}	C[6a](B[6a]O[6a]2N[6])(C[6a]C[6a]H)2{2|B<3>,2|H<1>,3|C<3>}	O[6a](B[6a]C[6a]O[6a]N[6])(B[6a]C[6a]O[6a]){1|B<3>,6|C<3>}	111.8915	0.152	2	111.8915	0.023	2	111.8915	0.023	2	111.8915	0.023	2	112.2522	0.695	12	112.1566	1.378	20
811	643	933	0:SP3_SP2_SP2	B[6a]	C[6a]	O[6a]	3:2:2:4:	4:3:3:	4:3:	C[6a]-3:O[6a]-2:O[6a]-2:N-4:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(NCHH)	C[6a](B[6a]O[6a]2N)(C[6a]C[6a]H)2	O[6a](B[6a]C[6a]O[6a]N)(B[6a]C[6a]O[6a])	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(NCHH){1|O<2>,2|H<1>,4|C<3>}	C[6a](B[6a]O[6a]2N)(C[6a]C[6a]H)2{1|C<3>,2|B<3>,2|F<1>}	O[6a](B[6a]C[6a]O[6a]N)(B[6a]C[6a]O[6a]){1|B<3>,4|C<3>}	112.0095	0.081	2	112.5658	0.540	6	112.5658	0.540	6	112.5658	0.540	6	112.2522	0.695	12	112.1566	1.378	20
811	643	933	0:SP3_SP2_SP2	B[6a]	C[6a]	O[6a]	3:2:2:4:	4:3:3:	4:3:	C[6a]-3:O[6a]-2:O[6a]-2:N-4:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(NCHH)	C[6a](B[6a]O[6a]2N)(C[6a]C[6a]H)2	O[6a](B[6a]C[6a]O[6a]N)(B[6a]C[6a]O[6a])	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(NCHH){1|O<2>,2|H<1>,4|C<3>}	C[6a](B[6a]O[6a]2N)(C[6a]C[6a]H)2{1|C<3>,2|B<3>,2|H<1>}	O[6a](B[6a]C[6a]O[6a]N)(B[6a]C[6a]O[6a]){1|B<3>,4|C<3>}	112.8440	0.767	4	112.5658	0.540	6	112.5658	0.540	6	112.5658	0.540	6	112.2522	0.695	12	112.1566	1.378	20
811	643	933	0:SP3_SP2_SP2	B[6a]	C[6a]	O[6a]	3:3:2:2:	4:3:3:	4:3:	N[5]-3:C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:B[6a]-3:	B[6a](N[5]C[5]N[5])(C[6a]C[6a]2)(O[6a]B[6a])2	C[6a](B[6a]O[6a]2N[5])(C[6a]C[6a]H)2	O[6a](B[6a]C[6a]O[6a]N[5])(B[6a]C[6a]O[6a])	B[6a](N[5]C[5]N[5])(C[6a]C[6a]2)(O[6a]B[6a])2{1|O<2>,4|H<1>,6|C<3>}	C[6a](B[6a]O[6a]2N[5])(C[6a]C[6a]H)2{1|N<3>,2|B<3>,2|C<3>,2|H<1>}	O[6a](B[6a]C[6a]O[6a]N[5])(B[6a]C[6a]O[6a]){1|B<3>,1|N<3>,5|C<3>}	111.2060	1.096	2	111.2060	1.201	2	111.2060	1.201	2	111.2060	1.201	2	112.2522	0.695	12	112.1566	1.378	20
811	643	933	6:SP3_SP2_SP2	B[6a]	C[6a]	O[6a]	3:2:1:1:	4:4:3:	4:3:	C[6a]-3:O[6a]-2:Cl-1:Cl-1:	B[6a]-4:B[6a]-4:C-3:	B[6a]-4:C[6a]-3:	B[6a](C[6a]B[6a]C)(O[6a]C[6a])(Cl)2	C[6a](B[6a]O[6a]Cl2)2(CCC)	O[6a](B[6a]C[6a]Cl2)(C[6a]O[6a]P)	B[6a](C[6a]B[6a]C)(O[6a]C[6a])(Cl)2{2|Cl<1>,1|O<2>,1|P<4>}	C[6a](B[6a]O[6a]Cl2)2(CCC){1|C<3>}	O[6a](B[6a]C[6a]Cl2)(C[6a]O[6a]P){1|B<4>,1|C<3>}	112.3625	0.156	2	112.3625	0.024	2	112.3625	0.024	2	112.3625	0.024	2	112.3625	0.024	2	112.3625	0.024	2
811	643	941	0:SP3_SP2_SP2	B[6a]	C[6a]	N	3:3:3:2:	4:3:3:	4:2:	C[6a]-3:N[6a]-3:N[6a]-3:N-2:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:N-2:	B[6a](C[6a]C[6a]2)(N[6a]B[6a]N)2(NN)	C[6a](B[6a]N[6a]2N)(C[6a]C[6a]F)2	N(B[6a]C[6a]N[6a]2)(NN)	B[6a](C[6a]C[6a]2)(N[6a]B[6a]N)2(NN){1|N<3>,2|F<1>,2|N<2>,4|C<3>}	C[6a](B[6a]N[6a]2N)(C[6a]C[6a]F)2{1|C<3>,2|B<4>,2|F<1>,2|N<2>}	N(B[6a]C[6a]N[6a]2)(NN)	115.8583	0.935	3	115.8583	0.874	3	115.8583	0.874	3	115.8583	0.874	3	115.8583	0.874	3	115.8583	0.874	3
811	643	945	0:SP3_SP2_SP3	B[6a]	C[6a]	P	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:P-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(PC[6a]2)	C[6a](B[6a]C[5a,6a]N[5a,6a]P)(C[6a]C[6a]H)2	P(B[6a]C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)2	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(PC[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]P)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	P(B[6a]C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)2	112.0860	0.000	1	112.0860	0.000	1	112.0860	0.000	1	112.0860	0.000	1	112.0860	0.000	1	112.0860	0.000	1
811	643	951	0:SP3_SP-NON_SP2	B[6,6a,6a]	C[3x6a]	H	3:3:3:1:	3:4:3:	4:	N[5,6,6a]-3:N[5,6,6a]-3:C[3x6a]-3:H-1:	C[3x6a]-3:B[6,6a,6a]-4:C[6a]-3:	B[6,6a,6a]-4:	B[6,6a,6a](N[5,6,6a]N[5,6,6a]C[5])2(C[3x6a]C[3x6a]C[6a])(H)	C[3x6a](C[3x6a]B[6,6a,6a]C[6a])(B[6,6a,6a]N[5,6,6a]2H)(C[6a]C[6a]H)	H(B[6,6a,6a]N[5,6,6a]2C[3x6a])	B[6,6a,6a](N[5,6,6a]N[5,6,6a]C[5])2(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,3|H<1>,6|C<3>}	C[3x6a](C[3x6a]B[6,6a,6a]C[6a])(B[6,6a,6a]N[5,6,6a]2H)(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	H(B[6,6a,6a]N[5,6,6a]2C[3x6a])	120.2290	3.360	2	120.2290	11.291	2	120.2290	11.291	2	120.2290	11.291	2	120.0351	7.848	9	118.2369	22.512	11
811	643	951	0:SP3_SP-NON_SP2	B[6,6a,6a]	C[3x6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6,6a]-3:N[5,6,6a]-3:C[3x6a]-3:H-1:	B[6,6a,6a]-4:C[3x6a]-3:C[6a]-3:	B[6,6a,6a]-4:	B[6,6a,6a](N[5a,6,6a]N[5a,6,6a]C[5a])(N[5,6,6a]N[5,6,6a]C[5])(C[3x6a]C[3x6a]C[6a])(H)	C[3x6a](B[6,6a,6a]N[5a,6,6a]N[5,6,6a]H)(C[3x6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H)	H(B[6,6a,6a]N[5a,6,6a]N[5,6,6a]C[3x6a])	B[6,6a,6a](N[5a,6,6a]N[5a,6,6a]C[5a])(N[5,6,6a]N[5,6,6a]C[5])(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,1|H<1>,2|C<4>,6|C<3>}	C[3x6a](B[6,6a,6a]N[5a,6,6a]N[5,6,6a]H)(C[3x6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	H(B[6,6a,6a]N[5a,6,6a]N[5,6,6a]C[3x6a])	120.8137	2.107	6	120.8137	4.437	6	120.8137	4.437	6	119.9797	8.566	7	120.0351	7.848	9	118.2369	22.512	11
811	643	951	0:SP3_SP-NON_SP2	B[6,6a,6a]	C[3x6a]	H	3:3:3:1:	4:3:3:	4:	N[6,6a,6a]-3:N[6,6a,6a]-3:C[3x6a]-3:H-1:	B[6,6a,6a]-4:C[3x6a]-3:C[6a]-3:	B[6,6a,6a]-4:	B[6,6a,6a](N[6,6a,6a]N[6,6a,6a]C[6a,6a])2(C[3x6a]C[3x6a]C[6a])(H)	C[3x6a](B[6,6a,6a]N[6,6a,6a]2H)(C[3x6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H)	H(B[6,6a,6a]N[6,6a,6a]2C[3x6a])	B[6,6a,6a](N[6,6a,6a]N[6,6a,6a]C[6a,6a])2(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,1|H<1>,8|C<3>}	C[3x6a](B[6,6a,6a]N[6,6a,6a]2H)(C[3x6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	H(B[6,6a,6a]N[6,6a,6a]2C[3x6a])	114.9760	0.000	1	114.9760	0.000	1	114.9760	0.000	1	119.9797	8.566	7	120.0351	7.848	9	118.2369	22.512	11
811	643	951	0:SP3_SP-NON_SP2	B[6a]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:H-1:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](B[6a]C[5a,6a]N[5a,6a]H)(C[6a]C[6a]H)2	H(B[6a]C[5a,6a]N[5a,6a]C[6a])	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]H)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	H(B[6a]C[5a,6a]N[5a,6a]C[6a])	110.1450	1.508	2	110.1450	2.273	2	110.1450	2.273	2	110.1450	2.273	2	110.1450	2.273	2	118.2369	22.512	11
811	727	727	6:SP3_SP2_SP2	B[3x6a]	C[5a,6a,6a]	C[5a,6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:N[5,6a,6a]-3:C[6a]-3:	B[3x6a]-4:N[5a,6a,6a]-3:N[5a]-3:	B[3x6a]-4:N[5a,6a,6a]-3:C[5a]-3:	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]C[5a])(C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)	C[5a,6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[5a,6a,6a]B[3x6a]C[5a])(N[5a]C[5a]C)	C[5a,6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[5a,6a,6a]C[5a,6a]B[3x6a])(C[5a]C[5a,6a]N)	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]C[5a])(C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2){1|B<4>,1|C<4>,2|N<3>,3|H<1>,7|C<3>}	C[5a,6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[5a,6a,6a]B[3x6a]C[5a])(N[5a]C[5a]C){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[5a,6a,6a]C[5a,6a]B[3x6a])(C[5a]C[5a,6a]N){2|N<3>,7|C<3>}	105.1430	0.000	1	105.1430	0.000	1	105.1430	0.000	1	105.1430	0.000	1	105.1430	0.000	1	103.9586	3.361	7
811	727	727	6:SP3_SP2_SP2	B[6,6,6a]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	4:3:2:	4:3:2:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:N[5,6,6a]-3:O[5]-2:	B[6,6,6a]-4:N[5,6,6a]-3:O[5]-2:	B[6,6,6a](C[5,6,6a]N[5,6,6a]O[5])2(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2)	C[5,6,6a](B[6,6,6a]C[5,6,6a]C[6,6]C[6a])(N[5,6,6a]B[6,6,6a]C[5])(O[5]C[5])	C[5,6,6a](B[6,6,6a]C[5,6,6a]C[6,6]C[6a])(N[5,6,6a]B[6,6,6a]C[5])(O[5]C[5])	B[6,6,6a](C[5,6,6a]N[5,6,6a]O[5])2(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2){1|B<4>,4|C<3>,4|C<4>,4|H<1>}	C[5,6,6a](B[6,6,6a]C[5,6,6a]C[6,6]C[6a])(N[5,6,6a]B[6,6,6a]C[5])(O[5]C[5]){1|N<3>,1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](B[6,6,6a]C[5,6,6a]C[6,6]C[6a])(N[5,6,6a]B[6,6,6a]C[5])(O[5]C[5]){1|N<3>,1|O<2>,3|C<4>,3|H<1>,4|C<3>}	102.6995	0.033	2	102.6995	0.001	2	102.6995	0.001	2	102.6995	0.001	2	102.3407	0.387	3	103.9586	3.361	7
811	727	727	6:SP3_SP2_SP2	B[6,6,6a]	C[5,6,6a]	C[5,6,6a]	4:3:3:3:	4:3:2:	4:3:2:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[6a]-3:	B[6,6,6a]-4:N[5,6,6a]-3:O[5]-2:	B[6,6,6a]-4:N[5,6,6a]-3:O[5]-2:	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[5,6,6a]N[5,6,6a]O[5])2(C[6a]C[6a]2)	C[5,6,6a](B[6,6,6a]C[5,6,6a]C[5,3x6]C[6a])(N[5,6,6a]B[6,6,6a]C[5])(O[5]C[5])	C[5,6,6a](B[6,6,6a]C[5,6,6a]C[5,3x6]C[6a])(N[5,6,6a]B[6,6,6a]C[5])(O[5]C[5])	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[5,6,6a]N[5,6,6a]O[5])2(C[6a]C[6a]2){1|B<4>,2|C<3>,4|H<1>,7|C<4>}	C[5,6,6a](B[6,6,6a]C[5,6,6a]C[5,3x6]C[6a])(N[5,6,6a]B[6,6,6a]C[5])(O[5]C[5]){1|N<3>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,6,6a](B[6,6,6a]C[5,6,6a]C[5,3x6]C[6a])(N[5,6,6a]B[6,6,6a]C[5])(O[5]C[5]){1|N<3>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	101.6230	0.000	1	101.6230	0.000	1	101.6230	0.000	1	101.6230	0.000	1	102.3407	0.387	3	103.9586	3.361	7
811	727	727	6:SP3_SP2_SP2	B[6a]	C[5,6a]	C[5,6a]	3:3:3:4:	4:3:2:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	B[6a]-4:N[5,6a]-3:O[5]-2:	B[6a]-4:N[5,6a]-3:O[5]-2:	B[6a](C[5,6a]N[5,6a]O[5])2(C[6a]C[6a]2)(CH3)	C[5,6a](B[6a]C[5,6a]C[6a]C)(N[5,6a]B[6a]C[5])(O[5]C[5])	C[5,6a](B[6a]C[5,6a]C[6a]C)(N[5,6a]B[6a]C[5])(O[5]C[5])	B[6a](C[5,6a]N[5,6a]O[5])2(C[6a]C[6a]2)(CH3){1|B<4>,2|C<3>,2|H<1>,4|C<4>}	C[5,6a](B[6a]C[5,6a]C[6a]C)(N[5,6a]B[6a]C[5])(O[5]C[5]){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](B[6a]C[5,6a]C[6a]C)(N[5,6a]B[6a]C[5])(O[5]C[5]){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	104.2145	0.185	2	104.2145	0.034	2	104.2145	0.034	2	104.2145	0.034	2	104.2145	0.034	2	103.9586	3.361	7
811	727	727	6:SP3_SP2_SP2	B[6a]	C[5a,6a]	C[5a,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:Cl-1:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])2(C[6a]C[6a]2)(Cl)	C[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a])	C[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a])	B[6a](C[5a,6a]N[5a,6a]N[5a])2(C[6a]C[6a]2)(Cl){1|B<4>,2|H<1>,8|C<3>}	C[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a]){1|F<1>,2|N<3>,7|C<3>}	C[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a]){1|F<1>,2|N<3>,7|C<3>}	107.1160	0.000	1	107.1160	0.000	1	107.1160	0.000	1	107.1160	0.000	1	107.1160	0.000	1	103.9586	3.361	7
811	727	762	6:SP3_SP2_SP2	B[6,6,6a]	C[5a,6,6a]	C[6,6]	3:3:3:3:	4:3:3:	4:2:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	B[6,6,6a]-4:N[6,6]-2:C[6a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]N[6,6]C[6a])(C[6a]C[6a]2)	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(N[6,6]B[6,6,6a])(C[6a]C[6a]2)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]N[6,6]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|N<2>,2|H<1>,6|C<3>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(N[6,6]B[6,6,6a])(C[6a]C[6a]2){2|H<1>,2|N<3>,7|C<3>}	96.6280	0.000	1	96.6280	0.000	1	96.6280	0.000	1	96.6280	0.000	1	102.8520	29.207	3	102.8520	29.207	3
811	727	762	6:SP3_SP2_SP2	B[6,6,6a]	C[5a,6,6a]	C[6,6]	3:3:3:3:	4:3:3:	4:4:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	B[6,6,6a]-4:C[6,6]-4:C-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C)(C[6a]C[6a]2)	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]2)(CHH)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]2)(CHH){2|N<3>,9|C<3>}	105.9640	0.554	2	105.9640	0.307	2	105.9640	0.307	2	105.9640	0.307	2	102.8520	29.207	3	102.8520	29.207	3
811	727	790	0:SP3_SP-NON_SP2	B[6a]	C[5a,6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:Cl-1:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a]-4:	B[6a](C[5a,6a]N[5a,6a]N[5a])2(C[6a]C[6a]2)(Cl)	C[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a])	Cl(B[6a]C[5a,6a]2C[6a])	B[6a](C[5a,6a]N[5a,6a]N[5a])2(C[6a]C[6a]2)(Cl){1|B<4>,2|H<1>,8|C<3>}	C[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a]){1|F<1>,2|N<3>,7|C<3>}	Cl(B[6a]C[5a,6a]2C[6a])	108.4235	0.736	2	108.4235	0.542	2	108.4235	0.542	2	108.1040	0.436	4	108.1040	0.436	4	108.1040	0.436	4
811	727	790	0:SP3_SP-NON_SP2	B[6a]	C[5a,6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:Cl-1:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a]-4:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl)	C[5a,6a](B[6a]N[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	Cl(B[6a]C[5a,6a]N[5a,6a]C[6a])	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|Cl<1>,2|H<1>,5|C<3>}	Cl(B[6a]C[5a,6a]N[5a,6a]C[6a])	107.3610	0.000	1	107.3610	0.000	1	107.7845	0.359	2	108.1040	0.436	4	108.1040	0.436	4	108.1040	0.436	4
811	727	790	0:SP3_SP-NON_SP2	B[6a]	C[5a,6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:Cl-1:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a]-4:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl)	C[5a,6a](B[6a]N[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a])	Cl(B[6a]C[5a,6a]N[5a,6a]C[6a])	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl){1|B<4>,1|N<3>,2|H<1>,7|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a]){1|Cl<1>,9|C<3>}	Cl(B[6a]C[5a,6a]N[5a,6a]C[6a])	108.2080	0.000	1	108.2080	0.000	1	107.7845	0.359	2	108.1040	0.436	4	108.1040	0.436	4	108.1040	0.436	4
811	727	813	6:SP3_SP2_SP2	B[3x6a]	C[5,6a,6a]	N[5a,6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6a,6a]-3:C[5,6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[3x6a]-4:N[5,6a,6a]-3:N[5]-3:	B[3x6a]-4:C[5a,6a,6a]-3:C[5a]-3:	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5,6a,6a](B[3x6a]N[5a,6a,6a]N[6a,6a]C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C)	N[5a,6a,6a](B[3x6a]C[5,6a,6a]N[6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H)	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<2>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[5,6a,6a](B[3x6a]N[5a,6a,6a]N[6a,6a]C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C){2|H<1>,7|C<3>}	N[5a,6a,6a](B[3x6a]C[5,6a,6a]N[6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	102.5860	0.000	1	102.5860	0.000	1	102.5860	0.000	1	102.7150	0.033	2	102.7150	0.033	2	103.6455	3.922	28
811	727	813	6:SP3_SP2_SP2	B[3x6a]	C[5,6a,6a]	N[5a,6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6a,6a]-3:N[5a,6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	B[3x6a]-4:N[5,6a,6a]-3:N[5]-3:	B[3x6a]-4:C[5a,6a,6a]-3:C[5a]-3:	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(C[6a]C[6a]2)	C[5,6a,6a](B[3x6a]N[5a,6a,6a]2C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C)	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H)	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,8|C<3>}	C[5,6a,6a](B[3x6a]N[5a,6a,6a]2C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C){2|H<1>,7|C<3>}	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	102.8440	0.000	1	102.8440	0.000	1	102.8440	0.000	1	102.7150	0.033	2	102.7150	0.033	2	103.6455	3.922	28
811	727	813	6:SP3_SP2_SP2	B[3x6a]	C[5a,6a,6a]	N[5,6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:N[5,6a,6a]-3:C[6a]-3:	B[3x6a]-4:N[5a,6a,6a]-3:C[5a]-3:	B[3x6a]-4:C[5,6a,6a]-3:C[5]-3:	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]C[5a])(C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)	C[5a,6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[5a,6a,6a]C[5a,6a]B[3x6a])(C[5a]C[5a,6a]N)	N[5,6a,6a](B[3x6a]C[5a,6a,6a]2C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H)	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]C[5a])(C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2){1|B<4>,1|C<4>,2|N<3>,3|H<1>,7|C<3>}	C[5a,6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[5a,6a,6a]C[5a,6a]B[3x6a])(C[5a]C[5a,6a]N){2|N<3>,7|C<3>}	N[5,6a,6a](B[3x6a]C[5a,6a,6a]2C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H){1|C<4>,1|H<1>,3|N<3>,4|C<3>}	98.1379	0.000	1	98.1379	0.000	1	98.1379	0.000	1	101.4240	8.594	3	101.4240	8.594	3	103.6455	3.922	28
811	727	813	6:SP3_SP2_SP2	B[3x6a]	C[5a,6a,6a]	N[5,6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:N[5,6a,6a]-3:C[6a]-3:	B[3x6a]-4:N[5a,6a,6a]-3:N[5a]-3:	B[3x6a]-4:C[5,6a,6a]-3:C[5]-3:	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]C[5a])(C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)	C[5a,6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[5a,6a,6a]B[3x6a]C[5a])(N[5a]C[5a]C)	N[5,6a,6a](B[3x6a]C[5a,6a,6a]2C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H)	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]C[5a])(C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2){1|B<4>,1|C<4>,2|N<3>,3|H<1>,7|C<3>}	C[5a,6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[5a,6a,6a]B[3x6a]C[5a])(N[5a]C[5a]C){1|N<3>,2|H<1>,6|C<3>}	N[5,6a,6a](B[3x6a]C[5a,6a,6a]2C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H){1|C<4>,1|H<1>,3|N<3>,4|C<3>}	102.3630	0.000	1	102.3630	0.000	1	102.3630	0.000	1	101.4240	8.594	3	101.4240	8.594	3	103.6455	3.922	28
811	727	813	6:SP3_SP2_SP2	B[3x6a]	C[5a,6a,6a]	N[5,6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6a,6a]-3:N[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[3x6a]-4:N[5a,6a,6a]-3:N[5a]-3:	B[3x6a]-4:C[5,6a,6a]-3:C[5]-3:	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a,6a]N[6a,6a]C)(C[6a]C[6a]2)	C[5a,6a,6a](B[3x6a]N[5,6a,6a]C[6a,6a]C[6a])(N[5a,6a,6a]B[3x6a]C[5a])(N[5a]C[5a]C)	N[5,6a,6a](B[3x6a]C[5a,6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H)	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a,6a]N[6a,6a]C)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[5a,6a,6a](B[3x6a]N[5,6a,6a]C[6a,6a]C[6a])(N[5a,6a,6a]B[3x6a]C[5a])(N[5a]C[5a]C){1|C<2>,1|N<3>,2|H<1>,5|C<3>}	N[5,6a,6a](B[3x6a]C[5a,6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>,3|N<3>}	103.7710	0.000	1	103.7710	0.000	1	103.7710	0.000	1	101.4240	8.594	3	101.4240	8.594	3	103.6455	3.922	28
811	727	813	6:SP3_SP2_SP2	B[6,6,6a]	C[5a,6,6a]	N[5a,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:N[6,6]-2:C[6a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(N[6,6]C[6,6])(C[6a]C[6a]2)	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]N[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]N[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(N[6,6]C[6,6])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]N[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){2|H<1>,6|C<3>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]N[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	102.0280	0.000	1	102.0280	0.000	1	102.0280	0.000	1	103.7513	2.231	3	102.7347	1.270	10	103.6455	3.922	28
811	727	813	6:SP3_SP2_SP2	B[6,6,6a]	C[5a,6,6a]	N[5a,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:O[6,6]-2:C[6a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(O[6,6]O[6,6])(C[6a]C[6a]2)	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]O[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]O[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(O[6,6]O[6,6])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]O[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|O<2>,2|H<1>,5|C<3>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]O[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	104.6130	0.082	2	104.6130	0.007	2	104.6130	0.007	2	103.7513	2.231	3	102.7347	1.270	10	103.6455	3.922	28
811	727	813	6:SP3_SP2_SP2	B[6,6,6a]	C[5a,6,6a]	N[5a,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C)(C[6a]C[6a]2)	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	102.1380	0.332	2	102.1380	0.110	2	102.4563	0.359	3	102.4563	0.359	3	102.7347	1.270	10	103.6455	3.922	28
811	727	813	6:SP3_SP2_SP2	B[6,6,6a]	C[5a,6,6a]	N[5a,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]N[6,6]C[6a])(C[6a]C[6a]2)	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]N[6,6]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|N<2>,2|H<1>,6|C<3>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,2|N<3>,4|C<3>}	103.0930	0.000	1	103.0930	0.000	1	102.4563	0.359	3	102.4563	0.359	3	102.7347	1.270	10	103.6455	3.922	28
811	727	813	6:SP3_SP2_SP2	B[6,6,6a]	C[5a,6,6a]	N[5a,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]2)(C[6a]C[6a]2)	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]2)(C[6a]C[6a]2){10|C<3>,1|B<4>,1|C<4>,1|N<3>,3|H<1>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){2|H<1>,8|C<3>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,6|C<3>}	101.5730	0.206	2	101.5730	0.043	2	102.1810	0.563	4	102.1810	0.563	4	102.7347	1.270	10	103.6455	3.922	28
811	727	813	6:SP3_SP2_SP2	B[6,6,6a]	C[5a,6,6a]	N[5a,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2)	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,5|H<1>,7|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|C<4>,3|H<1>,6|C<3>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){2|C<4>,2|H<1>,2|N<3>,4|C<3>}	103.0790	0.000	1	103.0790	0.000	1	102.1810	0.563	4	102.1810	0.563	4	102.7347	1.270	10	103.6455	3.922	28
811	727	813	6:SP3_SP2_SP2	B[6,6,6a]	C[5a,6,6a]	N[5a,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2)	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,4|H<1>,6|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|C<4>,4|H<1>,5|C<3>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){2|C<4>,2|N<3>,3|C<3>,3|H<1>}	102.4990	0.000	1	102.4990	0.000	1	102.1810	0.563	4	102.1810	0.563	4	102.7347	1.270	10	103.6455	3.922	28
811	727	813	6:SP3_SP2_SP2	B[6a]	C[5a,6a]	N[5a,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:Cl-1:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl)	C[5a,6a](B[6a]N[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|Cl<1>,2|H<1>,5|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	106.8710	0.000	1	106.8710	0.000	1	107.2365	0.267	2	106.5025	0.817	4	105.0019	2.374	13	103.6455	3.922	28
811	727	813	6:SP3_SP2_SP2	B[6a]	C[5a,6a]	N[5a,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:Cl-1:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl)	C[5a,6a](B[6a]N[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a])	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a])	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl){1|B<4>,1|N<3>,2|H<1>,7|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a]){1|Cl<1>,9|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a]){1|Cl<1>,2|N<3>,7|C<3>}	107.6020	0.000	1	107.6020	0.000	1	107.2365	0.267	2	106.5025	0.817	4	105.0019	2.374	13	103.6455	3.922	28
811	727	813	6:SP3_SP2_SP2	B[6a]	C[5a,6a]	N[5a,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:H-1:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](B[6a]N[5a,6a]C[6a]H)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]H)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|B<3>,2|H<1>,5|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|B<3>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	105.8910	0.000	1	105.7685	0.030	2	105.7685	0.030	2	106.5025	0.817	4	105.0019	2.374	13	103.6455	3.922	28
811	727	813	6:SP3_SP2_SP2	B[6a]	C[5a,6a]	N[5a,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:H-1:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](B[6a]N[5a,6a]C[6a]H)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]H)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|P<3>,2|H<1>,5|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|P<3>,2|N<3>,3|C<3>}	105.6460	0.000	1	105.7685	0.030	2	105.7685	0.030	2	106.5025	0.817	4	105.0019	2.374	13	103.6455	3.922	28
811	727	813	6:SP3_SP2_SP2	B[6a]	C[5a,6a]	N[5a,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[5])	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[5]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|O<2>,2|H<1>,5|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	105.0960	0.000	1	105.0960	0.000	1	103.8151	0.659	7	103.8151	0.659	7	105.0019	2.374	13	103.6455	3.922	28
811	727	813	6:SP3_SP2_SP2	B[6a]	C[5a,6a]	N[5a,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[6a])	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[6a]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|O<2>,2|H<1>,5|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	103.5425	0.140	4	103.5425	0.020	4	103.8151	0.659	7	103.8151	0.659	7	105.0019	2.374	13	103.6455	3.922	28
811	727	813	6:SP3_SP2_SP2	B[6a]	C[5a,6a]	N[5a,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(ON[6])	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(ON[6]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|O<2>,2|H<1>,5|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	103.7200	1.393	2	103.7200	1.940	2	103.8151	0.659	7	103.8151	0.659	7	105.0019	2.374	13	103.6455	3.922	28
811	727	813	6:SP3_SP2_SP2	B[6a]	C[5a,6a]	N[5a,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:B[5]-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(B[5]O[5]2)	C[5a,6a](B[6a]N[5a,6a]C[6a]B[5])(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	N[5a,6a](B[6a]C[5a,6a]C[6a]B[5])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(B[5]O[5]2){1|B<4>,1|N<3>,3|C<4>,3|H<1>,5|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]B[5])(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){2|O<2>,3|H<1>,5|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]B[5])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,2|N<3>,2|O<2>,3|C<3>}	105.6260	0.000	1	105.6260	0.000	1	105.6260	0.000	1	106.1545	0.559	2	105.0019	2.374	13	103.6455	3.922	28
811	727	813	6:SP3_SP2_SP2	B[6a]	C[5a,6a]	N[5a,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:P-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(PC[6a]2)	C[5a,6a](B[6a]N[5a,6a]C[6a]P)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	N[5a,6a](B[6a]C[5a,6a]C[6a]P)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(PC[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]P)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){3|H<1>,5|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]P)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	106.6830	0.000	1	106.6830	0.000	1	106.6830	0.000	1	106.1545	0.559	2	105.0019	2.374	13	103.6455	3.922	28
811	727	813	6:SP3_SP2_SP3	B[3x6a]	C[5,6a,6a]	N[5a,6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6a,6a]-3:N[5a,6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	B[3x6a]-4:N[5,6a,6a]-3:N[5]-3:	B[3x6a]-4:C[5a,6a,6a]-3:C[5a,6a]-3:	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(C[6a]C[6a]2)	C[5,6a,6a](B[3x6a]N[5a,6a,6a]2C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C)	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,8|C<3>}	C[5,6a,6a](B[3x6a]N[5a,6a,6a]2C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C){2|H<1>,7|C<3>}	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,3|N<3>,7|C<3>}	99.7369	0.000	1	99.7369	0.000	1	99.7369	0.000	1	99.7369	0.000	1	99.7369	0.000	1	99.7369	0.000	1
811	727	893	0:SP3_SP2_SP2	B[6a]	C[5a,6a]	O	3:3:3:2:	4:3:3:	4:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a]-4:B[5]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[5])	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	O(B[6a]C[5a,6a]N[5a,6a]C[6a])(B[5]O[5]2)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[5]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|O<2>,2|H<1>,5|C<3>}	O(B[6a]C[5a,6a]N[5a,6a]C[6a])(B[5]O[5]2)	112.3980	0.000	1	112.3980	0.000	1	112.3980	0.000	1	112.3980	0.000	1	112.3980	0.000	1	112.3980	0.000	1
811	727	893	0:SP3_SP2_SP3	B[6a]	C[5a,6a]	O	3:3:3:2:	4:3:3:	4:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a]-4:N[6]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(ON[6])	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	O(B[6a]C[5a,6a]N[5a,6a]C[6a])(N[6]C[6]2)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(ON[6]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|O<2>,2|H<1>,5|C<3>}	O(B[6a]C[5a,6a]N[5a,6a]C[6a])(N[6]C[6]2)	111.0310	7.532	2	111.0310	56.733	2	111.0310	56.733	2	111.0310	56.733	2	112.7057	13.532	6	112.7057	13.532	6
811	727	893	0:SP3_SP2_SP3	B[6a]	C[5a,6a]	O	3:3:3:2:	4:3:3:	4:4:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a]-4:B[6a]-4:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[6a])	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	O(B[6a]C[5a,6a]N[5a,6a]C[6a])2	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[6a]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|O<2>,2|H<1>,5|C<3>}	O(B[6a]C[5a,6a]N[5a,6a]C[6a])2	113.5430	0.915	4	113.5430	0.837	4	113.5430	0.837	4	113.5430	0.837	4	112.7057	13.532	6	112.7057	13.532	6
811	727	914	6:SP3_SP2_SP2	B[6,6,6a]	C[5a,6,6a]	N[6,6]	3:3:2:3:	4:3:3:	4:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:N[6,6]-2:C[6a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	B[6,6,6a]-4:C[6,6]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(N[6,6]C[6,6])(C[6a]C[6a]2)	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]N[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	N[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a])	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(N[6,6]C[6,6])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]N[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){2|H<1>,6|C<3>}	N[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]){2|N<3>,7|C<3>}	103.9610	0.000	1	103.9610	0.000	1	103.9610	0.000	1	103.9610	0.000	1	103.9610	0.000	1	103.9610	0.000	1
811	727	945	0:SP3_SP2_SP3	B[6a]	C[5a,6a]	P	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:P-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(PC[6a]2)	C[5a,6a](B[6a]N[5a,6a]C[6a]P)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	P(B[6a]C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)2	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(PC[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]P)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){3|H<1>,5|C<3>}	P(B[6a]C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)2	106.6060	0.000	1	106.6060	0.000	1	106.6060	0.000	1	106.6060	0.000	1	106.6060	0.000	1	106.6060	0.000	1
811	727	951	0:SP3_SP-NON_SP2	B[6a]	C[5a,6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:H-1:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a]-4:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](B[6a]N[5a,6a]C[6a]H)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	H(B[6a]C[5a,6a]N[5a,6a]C[6a])	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]H)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|B<3>,2|H<1>,5|C<3>}	H(B[6a]C[5a,6a]N[5a,6a]C[6a])	111.0090	0.000	1	109.1180	7.152	2	109.1180	7.152	2	109.1180	7.152	2	109.1180	7.152	2	109.1180	7.152	2
811	727	951	0:SP3_SP-NON_SP2	B[6a]	C[5a,6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:H-1:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a]-4:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](B[6a]N[5a,6a]C[6a]H)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	H(B[6a]C[5a,6a]N[5a,6a]C[6a])	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]H)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|P<3>,2|H<1>,5|C<3>}	H(B[6a]C[5a,6a]N[5a,6a]C[6a])	107.2270	0.000	1	109.1180	7.152	2	109.1180	7.152	2	109.1180	7.152	2	109.1180	7.152	2	109.1180	7.152	2
811	762	813	6:SP3_SP2_SP2	B[6,6,6a]	C[6,6]	N[5a,6,6a]	3:3:3:3:	4:2:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	B[6,6,6a]-4:N[6,6]-2:C[6a]-3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]N[6,6]C[6a])(C[6a]C[6a]2)	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(N[6,6]B[6,6,6a])(C[6a]C[6a]2)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]N[6,6]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(N[6,6]B[6,6,6a])(C[6a]C[6a]2){2|H<1>,2|N<3>,7|C<3>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,2|N<3>,4|C<3>}	101.2060	0.000	1	101.2060	0.000	1	101.2060	0.000	1	101.2060	0.000	1	99.8866	1.488	3	99.8866	1.488	3
811	762	813	6:SP3_SP2_SP2	B[6,6,6a]	C[6,6]	N[5a,6,6a]	3:3:3:3:	4:4:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	B[6,6,6a]-4:C[6,6]-4:C-3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C)(C[6a]C[6a]2)	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]2)(CHH)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]2)(CHH){2|N<3>,9|C<3>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	99.2269	0.605	2	99.2269	0.365	2	99.2269	0.365	2	99.2269	0.365	2	99.8866	1.488	3	99.8866	1.488	3
811	762	893	0:SP3_SP2_SP3	B[6a]	C[6]	O	2:2:3:2:	4:3:3:	4:1:	O[6a]-2:O[6a]-2:C[6]-3:O-2:	B[6a]-4:C[6]-3:C[6]-3:	B[6a]-4:H-1:	B[6a](O[6a]C[6a,6a])(O[6a]C[6a])(C[6]C[6]2)(OH)	C[6](B[6a]O[6a]2O)(C[6]C[6]H)(C[6]N[6]H)	O(B[6a]O[6a]2C[6])(H)	B[6a](O[6a]C[6a,6a])(O[6a]C[6a])(C[6]C[6]2)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](B[6a]O[6a]2O)(C[6]C[6]H)(C[6]N[6]H){2|H<1>,3|C<3>}	O(B[6a]O[6a]2C[6])(H)	111.9983	1.957	3	111.9983	3.829	3	111.9983	3.829	3	111.9983	3.829	3	111.9983	3.829	3	111.9983	3.829	3
811	762	933	0:SP3_SP2_SP2	B[6a]	C[6]	O[6a]	2:2:3:2:	4:3:3:	3:4:	O[6a]-2:O[6a]-2:C[6]-3:O-2:	B[6a]-4:C[6]-3:C[6]-3:	C[6a,6a]-3:B[6a]-4:	B[6a](O[6a]C[6a,6a])(O[6a]C[6a])(C[6]C[6]2)(OH)	C[6](B[6a]O[6a]2O)(C[6]C[6]H)(C[6]N[6]H)	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]O[6a]C[6]O)	B[6a](O[6a]C[6a,6a])(O[6a]C[6a])(C[6]C[6]2)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](B[6a]O[6a]2O)(C[6]C[6]H)(C[6]N[6]H){2|H<1>,3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]O[6a]C[6]O){1|H<1>,5|C<3>}	109.0590	0.411	3	109.0590	0.169	3	109.0590	0.169	3	109.0590	0.169	3	108.5115	0.690	6	108.5115	0.690	6
811	762	933	0:SP3_SP2_SP2	B[6a]	C[6]	O[6a]	2:2:3:2:	4:3:3:	4:3:	O[6a]-2:O[6a]-2:C[6]-3:O-2:	B[6a]-4:C[6]-3:C[6]-3:	B[6a]-4:C[6a]-3:	B[6a](O[6a]C[6a,6a])(O[6a]C[6a])(C[6]C[6]2)(OH)	C[6](B[6a]O[6a]2O)(C[6]C[6]H)(C[6]N[6]H)	O[6a](B[6a]O[6a]C[6]O)(C[6a]C[6a,6a]O)	B[6a](O[6a]C[6a,6a])(O[6a]C[6a])(C[6]C[6]2)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](B[6a]O[6a]2O)(C[6]C[6]H)(C[6]N[6]H){2|H<1>,3|C<3>}	O[6a](B[6a]O[6a]C[6]O)(C[6a]C[6a,6a]O){4|C<3>}	107.9640	0.811	3	107.9640	0.658	3	107.9640	0.658	3	107.9640	0.658	3	108.5115	0.690	6	108.5115	0.690	6
811	781	781	6:SP3_SP3_SP3	B[6a]	N[6a]	N[6a]	4:4:1:1:	4:4:1:1:	4:4:1:1:	N[6a]-4:N[6a]-4:H-1:H-1:	B[6a]-4:B[6a]-4:H-1:H-1:	B[6a]-4:B[6a]-4:H-1:H-1:	B[6a](N[6a]B[6a]HH)2(H)2	N[6a](B[6a]N[6a]HH)(B[6a]N[6a]HN)(H)2	N[6a](B[6a]N[6a]HH)2(H)2	B[6a](N[6a]B[6a]HH)2(H)2{2|N<4>,3|H<1>}	N[6a](B[6a]N[6a]HH)(B[6a]N[6a]HN)(H)2{1|B<4>,4|H<1>}	N[6a](B[6a]N[6a]HH)2(H)2{1|B<4>,4|H<1>}	107.0060	0.216	2	107.0060	0.047	2	106.9973	0.024	3	106.9973	0.024	3	106.9398	0.029	4	106.9398	0.029	4
811	781	781	6:SP3_SP3_SP3	B[6a]	N[6a]	N[6a]	4:4:1:1:	4:4:1:1:	4:4:1:1:	N[6a]-4:N[6a]-4:H-1:H-1:	B[6a]-4:B[6a]-4:H-1:H-1:	B[6a]-4:B[6a]-4:H-1:H-1:	B[6a](N[6a]B[6a]HH)2(H)2	N[6a](B[6a]N[6a]HH)2(H)2	N[6a](B[6a]N[6a]HH)2(H)2	B[6a](N[6a]B[6a]HH)2(H)2{1|N<4>,4|H<1>}	N[6a](B[6a]N[6a]HH)2(H)2{1|B<4>,4|H<1>}	N[6a](B[6a]N[6a]HH)2(H)2{1|B<4>,4|H<1>}	106.9800	0.000	1	106.9800	0.000	1	106.9973	0.024	3	106.9973	0.024	3	106.9398	0.029	4	106.9398	0.029	4
811	781	781	6:SP3_SP3_SP3	B[6a]	N[6a]	N[6a]	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[6a]-4:N[6a]-4:N-4:H-1:	B[6a]-4:B[6a]-4:H-1:H-1:	B[6a]-4:B[6a]-4:H-1:H-1:	B[6a](N[6a]B[6a]HH)2(NBHH)(H)	N[6a](B[6a]N[6a]HH)(B[6a]N[6a]HN)(H)2	N[6a](B[6a]N[6a]HH)(B[6a]N[6a]HN)(H)2	B[6a](N[6a]B[6a]HH)2(NBHH)(H){1|N<4>,4|H<1>}	N[6a](B[6a]N[6a]HH)(B[6a]N[6a]HN)(H)2{1|B<4>,4|H<1>}	N[6a](B[6a]N[6a]HH)(B[6a]N[6a]HN)(H)2{1|B<4>,4|H<1>}	106.7670	0.000	1	106.7670	0.000	1	106.7670	0.000	1	106.7670	0.000	1	106.9398	0.029	4	106.9398	0.029	4
811	781	892	0:SP3_SP3_SP3	B[6a]	N[6a]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[6a]-4:N[6a]-4:N-4:H-1:	B[6a]-4:B[6a]-4:H-1:H-1:	B[6a]-4:B-4:H-1:H-1:	B[6a](N[6a]B[6a]HH)2(NBHH)(H)	N[6a](B[6a]N[6a]HH)(B[6a]N[6a]HN)(H)2	N(B[6a]N[6a]2H)(BH3)(H)2	B[6a](N[6a]B[6a]HH)2(NBHH)(H){1|N<4>,4|H<1>}	N[6a](B[6a]N[6a]HH)(B[6a]N[6a]HN)(H)2{1|B<4>,4|H<1>}	N(B[6a]N[6a]2H)(BH3)(H)2	109.1820	0.412	2	109.1820	0.169	2	109.1820	0.169	2	109.1820	0.169	2	109.1820	0.169	2	109.1820	0.169	2
811	781	951	0:SP3_SP-NON_SP3	B[6a]	N[6a]	H	4:4:1:1:	4:4:1:1:	4:	N[6a]-4:N[6a]-4:H-1:H-1:	B[6a]-4:B[6a]-4:H-1:H-1:	B[6a]-4:	B[6a](N[6a]B[6a]HH)2(H)2	N[6a](B[6a]N[6a]HH)(B[6a]N[6a]HN)(H)2	H(B[6a]N[6a]2H)	B[6a](N[6a]B[6a]HH)2(H)2{2|N<4>,3|H<1>}	N[6a](B[6a]N[6a]HH)(B[6a]N[6a]HN)(H)2{1|B<4>,4|H<1>}	H(B[6a]N[6a]2H)	110.3283	0.050	3	110.3283	0.003	3	109.9276	0.660	13	109.9276	0.660	13	109.9725	0.637	14	109.9725	0.637	14
811	781	951	0:SP3_SP-NON_SP3	B[6a]	N[6a]	H	4:4:1:1:	4:4:1:1:	4:	N[6a]-4:N[6a]-4:H-1:H-1:	B[6a]-4:B[6a]-4:H-1:H-1:	B[6a]-4:	B[6a](N[6a]B[6a]HH)2(H)2	N[6a](B[6a]N[6a]HH)2(H)2	H(B[6a]N[6a]2H)	B[6a](N[6a]B[6a]HH)2(H)2{1|N<4>,4|H<1>}	N[6a](B[6a]N[6a]HH)2(H)2{1|B<4>,4|H<1>}	H(B[6a]N[6a]2H)	109.4737	1.059	6	109.8074	0.809	10	109.9276	0.660	13	109.9276	0.660	13	109.9725	0.637	14	109.9725	0.637	14
811	781	951	0:SP3_SP-NON_SP3	B[6a]	N[6a]	H	4:4:1:1:	4:4:1:1:	4:	N[6a]-4:N[6a]-4:H-1:H-1:	B[6a]-4:B[6a]-4:H-1:H-1:	B[6a]-4:	B[6a](N[6a]B[6a]HH)2(H)2	N[6a](B[6a]N[6a]HH)2(H)2	H(B[6a]N[6a]2H)	B[6a](N[6a]B[6a]HH)2(H)2{2|N<4>,3|H<1>}	N[6a](B[6a]N[6a]HH)2(H)2{1|B<4>,4|H<1>}	H(B[6a]N[6a]2H)	110.3080	0.043	4	109.8074	0.809	10	109.9276	0.660	13	109.9276	0.660	13	109.9725	0.637	14	109.9725	0.637	14
811	781	951	0:SP3_SP-NON_SP3	B[6a]	N[6a]	H	4:4:4:1:	4:4:1:1:	4:	N[6a]-4:N[6a]-4:N-4:H-1:	B[6a]-4:B[6a]-4:H-1:H-1:	B[6a]-4:	B[6a](N[6a]B[6a]HH)2(NBHH)(H)	N[6a](B[6a]N[6a]HH)(B[6a]N[6a]HN)(H)2	H(B[6a]N[6a]2N)	B[6a](N[6a]B[6a]HH)2(NBHH)(H){1|N<4>,4|H<1>}	N[6a](B[6a]N[6a]HH)(B[6a]N[6a]HN)(H)2{1|B<4>,4|H<1>}	H(B[6a]N[6a]2N)	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	109.9725	0.637	14	109.9725	0.637	14
811	790	790	0:SP3_SP-NON_SP-NON	B[6a]	Cl	Cl	3:2:1:1:	4:	4:	C[6a]-3:O[6a]-2:Cl-1:Cl-1:	B[6a]-4:	B[6a]-4:	B[6a](C[6a]B[6a]C)(O[6a]C[6a])(Cl)2	Cl(B[6a]C[6a]O[6a]Cl)	Cl(B[6a]C[6a]O[6a]Cl)	B[6a](C[6a]B[6a]C)(O[6a]C[6a])(Cl)2{2|Cl<1>,1|O<2>,1|P<4>}	Cl(B[6a]C[6a]O[6a]Cl)	Cl(B[6a]C[6a]O[6a]Cl)	109.3205	0.572	2	109.3205	0.327	2	109.3205	0.327	2	109.3205	0.327	2	109.3205	0.327	2	109.3205	0.327	2
811	790	813	0:SP3_SP-NON_SP2	B[6a]	Cl	N[5a,6a]	3:3:3:1:	4:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:Cl-1:	B[6a]-4:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl)	Cl(B[6a]C[5a,6a]N[5a,6a]C[6a])	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a])	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl){1|B<4>,1|N<3>,2|H<1>,7|C<3>}	Cl(B[6a]C[5a,6a]N[5a,6a]C[6a])	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a]){1|Cl<1>,2|N<3>,7|C<3>}	107.2280	0.000	1	107.2280	0.000	1	106.7885	0.386	2	106.7885	0.386	2	106.7885	0.386	2	106.7885	0.386	2
811	790	813	0:SP3_SP-NON_SP2	B[6a]	Cl	N[5a,6a]	3:3:3:1:	4:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:Cl-1:	B[6a]-4:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl)	Cl(B[6a]C[5a,6a]N[5a,6a]C[6a])	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	Cl(B[6a]C[5a,6a]N[5a,6a]C[6a])	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	106.3490	0.000	1	106.3490	0.000	1	106.7885	0.386	2	106.7885	0.386	2	106.7885	0.386	2	106.7885	0.386	2
811	790	933	0:SP3_SP-NON_SP2	B[6a]	Cl	O[6a]	3:2:1:1:	4:	4:3:	C[6a]-3:O[6a]-2:Cl-1:Cl-1:	B[6a]-4:	B[6a]-4:C[6a]-3:	B[6a](C[6a]B[6a]C)(O[6a]C[6a])(Cl)2	Cl(B[6a]C[6a]O[6a]Cl)	O[6a](B[6a]C[6a]Cl2)(C[6a]O[6a]P)	B[6a](C[6a]B[6a]C)(O[6a]C[6a])(Cl)2{2|Cl<1>,1|O<2>,1|P<4>}	Cl(B[6a]C[6a]O[6a]Cl)	O[6a](B[6a]C[6a]Cl2)(C[6a]O[6a]P){1|B<4>,1|C<3>}	100.3891	1.311	4	100.3891	1.720	4	100.3891	1.720	4	100.3891	1.720	4	100.3891	1.720	4	100.3891	1.720	4
811	811	856	0:SP3_SP2_SP3	B[6a,6a]	B[6a,6a]	N[6]	4:2:2:3:	4:2:2:3:	4:3:3:	B[6a,6a]-4:O[6a]-2:O[6a]-2:N[6]-3:	B[6a,6a]-4:O[6a]-2:O[6a]-2:N[6]-3:	B[6a,6a]-4:C[6]-3:C[6]-3:	B[6a,6a](B[6a,6a]O[6a]2N[6])(O[6a]C[6a,6a])2(N[6]C[6]2)	B[6a,6a](B[6a,6a]O[6a]2N[6])(O[6a]C[6a,6a])2(N[6]C[6]2)	N[6](B[6a,6a]B[6a,6a]O[6a]2)(C[6]C[6]H)2	B[6a,6a](B[6a,6a]O[6a]2N[6])(O[6a]C[6a,6a])2(N[6]C[6]2){2|H<1>,8|C<3>}	B[6a,6a](B[6a,6a]O[6a]2N[6])(O[6a]C[6a,6a])2(N[6]C[6]2){2|H<1>,8|C<3>}	N[6](B[6a,6a]B[6a,6a]O[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|O<2>,3|C<3>}	116.6995	0.244	2	116.6995	0.060	2	116.6995	0.060	2	116.6995	0.060	2	116.6995	0.060	2	116.6995	0.060	2
811	811	933	6:SP3_SP2_SP3	B[6a,6a]	B[6a,6a]	O[6a]	4:2:2:3:	4:2:2:3:	4:3:	B[6a,6a]-4:O[6a]-2:O[6a]-2:N[6]-3:	B[6a,6a]-4:O[6a]-2:O[6a]-2:N[6]-3:	B[6a,6a]-4:C[6a,6a]-3:	B[6a,6a](B[6a,6a]O[6a]2N[6])(O[6a]C[6a,6a])2(N[6]C[6]2)	B[6a,6a](B[6a,6a]O[6a]2N[6])(O[6a]C[6a,6a])2(N[6]C[6]2)	O[6a](B[6a,6a]B[6a,6a]O[6a]N[6])(C[6a,6a]C[6a,6a]C[6a])	B[6a,6a](B[6a,6a]O[6a]2N[6])(O[6a]C[6a,6a])2(N[6]C[6]2){2|H<1>,8|C<3>}	B[6a,6a](B[6a,6a]O[6a]2N[6])(O[6a]C[6a,6a])2(N[6]C[6]2){2|H<1>,8|C<3>}	O[6a](B[6a,6a]B[6a,6a]O[6a]N[6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,2|O<2>,5|C<3>}	111.4393	2.013	4	111.4393	4.053	4	111.4393	4.053	4	111.4393	4.053	4	111.4393	4.053	4	111.4393	4.053	4
811	813	813	6:SP3_SP2_SP2	B[6,6,6a]	N[5,6,6a]	N[5,6,6a]	3:3:4:3:	4:3:4:	4:3:4:	N[5,6,6a]-3:N[5,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:C[5,6,6a]-3:C[5]-4:	B[6,6,6a]-4:C[5,6,6a]-3:C[5]-4:	B[6,6,6a](N[5,6,6a]C[5,6,6a]C[5])2(C[6,6]C[6,6]HH)(C[6a]C[6a]2)	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[6,6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC)	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[6,6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC)	B[6,6,6a](N[5,6,6a]C[5,6,6a]C[5])2(C[6,6]C[6,6]HH)(C[6a]C[6a]2){1|B<4>,2|O<2>,3|C<3>,3|H<1>,6|C<4>}	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[6,6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC){2|C<4>,4|C<3>,4|H<1>}	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[6,6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC){2|C<4>,4|C<3>,4|H<1>}	102.6440	0.472	2	102.6440	0.223	2	102.6440	0.223	2	102.6440	0.223	2	102.5683	0.129	3	103.6067	6.318	18
811	813	813	6:SP3_SP2_SP2	B[6,6,6a]	N[5,6,6a]	N[5,6,6a]	4:3:3:3:	4:3:4:	4:3:4:	C[5,3x6]-4:N[5,6,6a]-3:N[5,6,6a]-3:C[6a]-3:	B[6,6,6a]-4:C[5,6,6a]-3:C[5]-4:	B[6,6,6a]-4:C[5,6,6a]-3:C[5]-4:	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(N[5,6,6a]C[5,6,6a]C[5])2(C[6a]C[6a]2)	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[5,3x6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC)	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[5,3x6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC)	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(N[5,6,6a]C[5,6,6a]C[5])2(C[6a]C[6a]2){1|B<4>,2|C<3>,2|O<2>,4|H<1>,9|C<4>}	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[5,3x6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC){3|C<4>,3|H<1>,4|C<3>}	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[5,3x6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC){3|C<4>,3|H<1>,4|C<3>}	102.4170	0.000	1	102.4170	0.000	1	102.4170	0.000	1	102.4170	0.000	1	102.5683	0.129	3	103.6067	6.318	18
811	813	813	6:SP3_SP2_SP2	B[6,6a,6a]	N[5,6,6a]	N[5,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6,6a]-3:N[5,6,6a]-3:C[3x6a]-3:H-1:	B[6,6a,6a]-4:N[5,6,6a]-3:C[5]-3:	B[6,6a,6a]-4:N[5,6,6a]-3:C[5]-3:	B[6,6a,6a](N[5,6,6a]N[5,6,6a]C[5])2(C[3x6a]C[3x6a]C[6a])(H)	N[5,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]H)	N[5,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]H)	B[6,6a,6a](N[5,6,6a]N[5,6,6a]C[5])2(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,3|H<1>,6|C<3>}	N[5,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]H){1|I<1>,1|N<3>,2|H<1>,3|C<3>}	N[5,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]H){1|I<1>,1|N<3>,2|H<1>,3|C<3>}	101.1905	0.445	2	101.1905	0.198	2	101.1905	0.198	2	101.1905	0.198	2	101.1905	0.198	2	103.6067	6.318	18
811	813	813	6:SP3_SP2_SP2	B[6,6a,6a]	N[5a,6,6a]	N[5,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6,6a]-3:N[5,6,6a]-3:C[3x6a]-3:H-1:	B[6,6a,6a]-4:N[5a,6,6a]-3:C[5a]-3:	B[6,6a,6a]-4:N[5,6,6a]-3:C[5]-3:	B[6,6a,6a](N[5a,6,6a]N[5a,6,6a]C[5a])(N[5,6,6a]N[5,6,6a]C[5])(C[3x6a]C[3x6a]C[6a])(H)	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C)	N[5,6,6a](B[6,6a,6a]N[5a,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]C)	B[6,6a,6a](N[5a,6,6a]N[5a,6,6a]C[5a])(N[5,6,6a]N[5,6,6a]C[5])(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,1|H<1>,2|C<4>,6|C<3>}	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5,6,6a](B[6,6a,6a]N[5a,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	102.0478	2.171	6	102.0478	4.711	6	102.0478	4.711	6	102.0478	4.711	6	102.0478	4.711	6	103.6067	6.318	18
811	813	813	6:SP3_SP2_SP2	B[6,6a]	N[5a,6]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[5a,6]-3:N[5a,6]-3:	B[6,6a]-4:C[5a,6]-3:C[5a]-3:	B[6,6a]-4:C[5a,6]-3:C[5a]-3:	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{1|O<2>,2|C<4>,2|H<1>,9|C<3>}	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	104.5970	0.000	1	104.9357	0.092	3	104.9357	0.092	3	104.9357	0.092	3	104.9357	0.092	3	103.6067	6.318	18
811	813	813	6:SP3_SP2_SP2	B[6,6a]	N[5a,6]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[5a,6]-3:N[5a,6]-3:	B[6,6a]-4:C[5a,6]-3:C[5a]-3:	B[6,6a]-4:C[5a,6]-3:C[5a]-3:	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{1|O<2>,2|C<4>,2|H<1>,9|C<3>}	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	105.1840	0.000	1	104.9357	0.092	3	104.9357	0.092	3	104.9357	0.092	3	104.9357	0.092	3	103.6067	6.318	18
811	813	813	6:SP3_SP2_SP2	B[6,6a]	N[5a,6]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[5a,6]-3:N[5a,6]-3:	B[6,6a]-4:C[5a,6]-3:C[5a]-3:	B[6,6a]-4:C[5a,6]-3:C[5a]-3:	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{1|S<2>,2|C<4>,2|H<1>,9|C<3>}	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	105.0260	0.000	1	104.9357	0.092	3	104.9357	0.092	3	104.9357	0.092	3	104.9357	0.092	3	103.6067	6.318	18
811	813	813	6:SP3_SP2_SP2	B[6a]	N[5,6a]	N[5,6a]	3:3:3:3:	4:3:4:	4:3:4:	N[5,6a]-3:N[5,6a]-3:C[6a]-3:C[6a]-3:	B[6a]-4:C[5,6a]-3:C[5]-4:	B[6a]-4:C[5,6a]-3:C[5]-4:	B[6a](N[5,6a]C[5,6a]C[5])2(C[6a]C[6a]2)2	N[5,6a](B[6a]N[5,6a]C[6a]2)(C[5,6a]B[6a]O[5])(C[5]C[5]CC)	N[5,6a](B[6a]N[5,6a]C[6a]2)(C[5,6a]B[6a]O[5])(C[5]C[5]CC)	B[6a](N[5,6a]C[5,6a]C[5])2(C[6a]C[6a]2)2{1|B<4>,2|O<2>,4|C<3>,4|H<1>,6|C<4>}	N[5,6a](B[6a]N[5,6a]C[6a]2)(C[5,6a]B[6a]O[5])(C[5]C[5]CC){2|C<4>,2|H<1>,6|C<3>}	N[5,6a](B[6a]N[5,6a]C[6a]2)(C[5,6a]B[6a]O[5])(C[5]C[5]CC){2|C<4>,2|H<1>,6|C<3>}	105.9530	0.269	2	105.9530	0.072	2	105.9530	0.072	2	105.9530	0.072	2	105.9530	0.072	2	103.6067	6.318	18
811	813	813	6:SP3_SP2_SP2	B[6a]	N[5a,6a]	N[5a,6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:F-1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(F)	N[5a,6a](B[6a]N[5a,6a]C[6a]F)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a])	N[5a,6a](B[6a]N[5a,6a]C[6a]F)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a])	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(F){1|B<4>,2|H<1>,2|N<3>,6|C<3>}	N[5a,6a](B[6a]N[5a,6a]C[6a]F)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a]){1|Cl<1>,9|C<3>}	N[5a,6a](B[6a]N[5a,6a]C[6a]F)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a]){1|Cl<1>,9|C<3>}	107.6200	0.000	1	107.6200	0.000	1	107.6200	0.000	1	107.6200	0.000	1	107.9170	0.176	2	103.6067	6.318	18
811	813	813	6:SP3_SP2_SP2	B[6a]	N[5a,6a]	N[5a,6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:C[6a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)2	N[5a,6a](B[6a]N[5a,6a]C[6a]2)(C[5a,6a]Ge[6a]N[5a])(C[5a]C[5a]H)	N[5a,6a](B[6a]N[5a,6a]C[6a]2)(C[5a,6a]Ge[6a]N[5a])(C[5a]C[5a]H)	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)2{1|Ge<3>,2|N<3>,6|C<3>,6|H<1>}	N[5a,6a](B[6a]N[5a,6a]C[6a]2)(C[5a,6a]Ge[6a]N[5a])(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|H<1>,6|C<3>}	N[5a,6a](B[6a]N[5a,6a]C[6a]2)(C[5a,6a]Ge[6a]N[5a])(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|H<1>,6|C<3>}	108.2140	0.000	1	108.2140	0.000	1	108.2140	0.000	1	108.2140	0.000	1	107.9170	0.176	2	103.6067	6.318	18
811	813	813	6:SP3_SP2_SP3	B[3x6a]	N[5a,6a,6a]	N[5a,6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6a,6a]-3:N[5a,6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	B[3x6a]-4:C[5a,6a,6a]-3:C[5a,6a]-3:	B[3x6a]-4:C[5a,6a,6a]-3:C[5a]-3:	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(C[6a]C[6a]2)	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H)	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,8|C<3>}	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,3|N<3>,7|C<3>}	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	104.2460	0.000	1	104.2460	0.000	1	104.2460	0.000	1	104.2460	0.000	1	104.2460	0.000	1	104.2460	0.000	1
811	813	830	0:SP3_SP-NON_SP2	B[6a]	N[5a,6a]	F	3:3:3:1:	4:3:3:	4:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:F-1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a]-4:	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(F)	N[5a,6a](B[6a]N[5a,6a]C[6a]F)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a])	F(B[6a]N[5a,6a]2C[6a])	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(F){1|B<4>,2|H<1>,2|N<3>,6|C<3>}	N[5a,6a](B[6a]N[5a,6a]C[6a]F)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a]){1|Cl<1>,9|C<3>}	F(B[6a]N[5a,6a]2C[6a])	107.9745	0.006	2	107.9745	0.000	2	107.9745	0.000	2	107.9745	0.000	2	107.9745	0.000	2	107.9745	0.000	2
811	813	856	0:SP3_SP2_SP3	B[6,6a]	N[5a,6a]	N[6]	3:3:3:3:	4:3:3:	4:3:2:	N[5a,6a]-3:N[6,6a]-3:N[6]-3:N[6]-3:	B[6,6a]-4:B[5a,6a]-3:C[5a]-3:	B[6,6a]-4:C[6a]-3:N[6]-2:	B[6,6a](N[5a,6a]B[5a,6a]C[5a])(N[6,6a]B[6,6a]C[6])(N[6]C[6a]N[6])2	N[5a,6a](B[6,6a]N[6,6a]N[6]2)(B[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])	N[6](B[6,6a]N[5a,6a]N[6,6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	B[6,6a](N[5a,6a]B[5a,6a]C[5a])(N[6,6a]B[6,6a]C[6])(N[6]C[6a]N[6])2{2|N<2>,3|N<3>,7|C<3>}	N[5a,6a](B[6,6a]N[6,6a]N[6]2)(B[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a]){1|B<3>,2|N<2>,7|C<3>}	N[6](B[6,6a]N[5a,6a]N[6,6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,2|B<3>,2|H<1>,6|C<3>}	111.0275	1.723	2	111.0275	2.969	2	111.0275	2.969	2	111.0275	2.969	2	111.0275	2.969	2	111.0275	2.969	2
811	813	893	0:SP3_SP2_SP2	B[6a]	N[5a,6a]	O	3:3:3:2:	4:3:3:	4:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a]-4:B[5]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[5])	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	O(B[6a]C[5a,6a]N[5a,6a]C[6a])(B[5]O[5]2)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[5]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	O(B[6a]C[5a,6a]N[5a,6a]C[6a])(B[5]O[5]2)	110.7610	0.000	1	110.7610	0.000	1	110.7610	0.000	1	110.7610	0.000	1	110.7610	0.000	1	110.7610	0.000	1
811	813	893	0:SP3_SP2_SP3	B[6a]	N[5a,6a]	O	3:3:3:2:	4:3:3:	4:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a]-4:N[6]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(ON[6])	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	O(B[6a]C[5a,6a]N[5a,6a]C[6a])(N[6]C[6]2)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(ON[6]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	O(B[6a]C[5a,6a]N[5a,6a]C[6a])(N[6]C[6]2)	114.1005	0.480	2	114.1005	0.231	2	114.1005	0.231	2	114.1005	0.231	2	112.4473	1.756	6	112.4473	1.756	6
811	813	893	0:SP3_SP2_SP3	B[6a]	N[5a,6a]	O	3:3:3:2:	4:3:3:	4:4:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a]-4:B[6a]-4:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[6a])	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	O(B[6a]C[5a,6a]N[5a,6a]C[6a])2	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[6a]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	O(B[6a]C[5a,6a]N[5a,6a]C[6a])2	111.6208	0.343	4	111.6208	0.117	4	111.6208	0.117	4	111.6208	0.117	4	112.4473	1.756	6	112.4473	1.756	6
811	813	914	6:SP3_SP2_SP2	B[6,6,6a]	N[5a,6,6a]	N[6,6]	3:3:2:3:	4:3:3:	4:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:N[6,6]-2:C[6a]-3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a]-4:C[6,6]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(N[6,6]C[6,6])(C[6a]C[6a]2)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]N[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	N[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a])	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(N[6,6]C[6,6])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]N[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	N[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]){2|N<3>,7|C<3>}	104.1930	0.000	1	104.1930	0.000	1	104.1930	0.000	1	104.1930	0.000	1	104.1930	0.000	1	104.1930	0.000	1
811	813	945	0:SP3_SP2_SP3	B[6a]	N[5a,6a]	P	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:P-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(PC[6a]2)	N[5a,6a](B[6a]C[5a,6a]C[6a]P)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	P(B[6a]C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)2	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(PC[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]P)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	P(B[6a]C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)2	112.0460	0.000	1	112.0460	0.000	1	112.0460	0.000	1	112.0460	0.000	1	112.0460	0.000	1	112.0460	0.000	1
811	813	951	0:SP3_SP-NON_SP2	B[6,6a,6a]	N[5,6,6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6,6a]-3:N[5,6,6a]-3:C[3x6a]-3:H-1:	B[6,6a,6a]-4:N[5,6,6a]-3:C[5]-3:	B[6,6a,6a]-4:	B[6,6a,6a](N[5,6,6a]N[5,6,6a]C[5])2(C[3x6a]C[3x6a]C[6a])(H)	N[5,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]H)	H(B[6,6a,6a]N[5,6,6a]2C[3x6a])	B[6,6a,6a](N[5,6,6a]N[5,6,6a]C[5])2(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,3|H<1>,6|C<3>}	N[5,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]H){1|I<1>,1|N<3>,2|H<1>,3|C<3>}	H(B[6,6a,6a]N[5,6,6a]2C[3x6a])	111.6885	3.600	4	111.6885	12.963	4	111.6885	12.963	4	111.1672	4.692	10	111.1672	4.692	10	110.4243	4.169	18
811	813	951	0:SP3_SP-NON_SP2	B[6,6a,6a]	N[5,6,6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6,6a]-3:N[5,6,6a]-3:C[3x6a]-3:H-1:	B[6,6a,6a]-4:N[5,6,6a]-3:C[5]-3:	B[6,6a,6a]-4:	B[6,6a,6a](N[5a,6,6a]N[5a,6,6a]C[5a])(N[5,6,6a]N[5,6,6a]C[5])(C[3x6a]C[3x6a]C[6a])(H)	N[5,6,6a](B[6,6a,6a]N[5a,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]C)	H(B[6,6a,6a]N[5a,6,6a]N[5,6,6a]C[3x6a])	B[6,6a,6a](N[5a,6,6a]N[5a,6,6a]C[5a])(N[5,6,6a]N[5,6,6a]C[5])(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,1|H<1>,2|C<4>,6|C<3>}	N[5,6,6a](B[6,6a,6a]N[5a,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(B[6,6a,6a]N[5a,6,6a]N[5,6,6a]C[3x6a])	110.8197	0.553	6	110.8197	0.306	6	110.8197	0.306	6	111.1672	4.692	10	111.1672	4.692	10	110.4243	4.169	18
811	813	951	0:SP3_SP-NON_SP2	B[6,6a,6a]	N[5a,6,6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6,6a]-3:N[5,6,6a]-3:C[3x6a]-3:H-1:	B[6,6a,6a]-4:N[5a,6,6a]-3:C[5a]-3:	B[6,6a,6a]-4:	B[6,6a,6a](N[5a,6,6a]N[5a,6,6a]C[5a])(N[5,6,6a]N[5,6,6a]C[5])(C[3x6a]C[3x6a]C[6a])(H)	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C)	H(B[6,6a,6a]N[5a,6,6a]N[5,6,6a]C[3x6a])	B[6,6a,6a](N[5a,6,6a]N[5a,6,6a]C[5a])(N[5,6,6a]N[5,6,6a]C[5])(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,1|H<1>,2|C<4>,6|C<3>}	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(B[6,6a,6a]N[5a,6,6a]N[5,6,6a]C[3x6a])	110.1425	0.993	6	110.1425	0.985	6	110.1425	0.985	6	110.1425	0.985	6	110.1425	0.985	6	110.4243	4.169	18
811	813	951	0:SP3_SP-NON_SP2	B[6a]	N[5a,6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:H-1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a]-4:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	H(B[6a]C[5a,6a]N[5a,6a]C[6a])	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|B<3>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	H(B[6a]C[5a,6a]N[5a,6a]C[6a])	106.7630	0.000	1	107.5550	1.255	2	107.5550	1.255	2	107.5550	1.255	2	107.5550	1.255	2	110.4243	4.169	18
811	813	951	0:SP3_SP-NON_SP2	B[6a]	N[5a,6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:H-1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a]-4:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	H(B[6a]C[5a,6a]N[5a,6a]C[6a])	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|P<3>,2|N<3>,3|C<3>}	H(B[6a]C[5a,6a]N[5a,6a]C[6a])	108.3470	0.000	1	107.5550	1.255	2	107.5550	1.255	2	107.5550	1.255	2	107.5550	1.255	2	110.4243	4.169	18
811	830	830	0:SP3_SP-NON_SP-NON	B[6a]	F	F	3:3:1:1:	4:	4:	C[6a,6a]-3:N[6,6a]-3:F-1:F-1:	B[6a]-4:	B[6a]-4:	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(F)2	F(B[6a]C[6a,6a]N[6,6a]F)	F(B[6a]C[6a,6a]N[6,6a]F)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(F)2{2|H<1>,5|C<3>}	F(B[6a]C[6a,6a]N[6,6a]F)	F(B[6a]C[6a,6a]N[6,6a]F)	108.4190	0.000	1	108.4190	0.000	1	108.4190	0.000	1	108.4190	0.000	1	108.4190	0.000	1	108.4190	0.000	1
811	856	856	0:SP3_SP2_SP2	B[6a]	N[6]	N[6]	2:2:3:3:	4:3:3:	4:3:3:	O[6a]-2:O[6a]-2:N[6]-3:N[6]-3:	B[6a]-4:C[6]-3:C[6]-3:	B[6a]-4:C[6]-3:C[6]-3:	B[6a](O[6a]B[6a])2(N[6]C[6]2)2	N[6](B[6a]O[6a]2N[6])(C[6]C[6]H)2	N[6](B[6a]O[6a]2N[6])(C[6]C[6]H)2	B[6a](O[6a]B[6a])2(N[6]C[6]2)2{1|O<2>,2|N<3>,4|C<3>,4|H<1>}	N[6](B[6a]O[6a]2N[6])(C[6]C[6]H)2{2|B<3>,2|H<1>,3|C<3>}	N[6](B[6a]O[6a]2N[6])(C[6]C[6]H)2{2|B<3>,2|H<1>,3|C<3>}	106.8005	1.753	2	106.8005	3.073	2	106.8005	3.073	2	106.8005	3.073	2	106.8005	3.073	2	106.8005	3.073	2
811	856	856	6:SP3_SP2_SP2	B[6,6a]	N[6]	N[6]	3:3:3:3:	4:3:2:	4:3:2:	N[5a,6a]-3:N[6,6a]-3:N[6]-3:N[6]-3:	B[6,6a]-4:C[6a]-3:N[6]-2:	B[6,6a]-4:C[6a]-3:N[6]-2:	B[6,6a](N[5a,6a]B[5a,6a]C[5a])(N[6,6a]B[6,6a]C[6])(N[6]C[6a]N[6])2	N[6](B[6,6a]N[5a,6a]N[6,6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	N[6](B[6,6a]N[5a,6a]N[6,6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	B[6,6a](N[5a,6a]B[5a,6a]C[5a])(N[6,6a]B[6,6a]C[6])(N[6]C[6a]N[6])2{2|N<2>,3|N<3>,7|C<3>}	N[6](B[6,6a]N[5a,6a]N[6,6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,2|B<3>,2|H<1>,6|C<3>}	N[6](B[6,6a]N[5a,6a]N[6,6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,2|B<3>,2|H<1>,6|C<3>}	103.4120	0.000	1	103.4120	0.000	1	103.4120	0.000	1	103.4120	0.000	1	103.4120	0.000	1	103.4120	0.000	1
811	856	933	0:SP3_SP2_SP2	B[6,6a]	N[6,6]	O[6a]	3:2:2:2:	4:3:3:	4:3:	N[6,6]-3:O[6a]-2:O[6a]-2:O[6]-2:	B[6,6a]-4:C[6,6]-3:C[6]-3:	B[6,6a]-4:C[6a,6a]-3:	B[6,6a](N[6,6]C[6,6]C[6])(O[6a]C[6a,6a])(O[6a]C[6a])(O[6]C[6])	N[6,6](B[6,6a]O[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	O[6a](B[6,6a]N[6,6]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])	B[6,6a](N[6,6]C[6,6]C[6])(O[6a]C[6a,6a])(O[6a]C[6a])(O[6]C[6]){1|H<1>,1|O<1>,6|C<3>}	N[6,6](B[6,6a]O[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	O[6a](B[6,6a]N[6,6]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	108.3310	0.737	3	108.3310	0.543	3	108.3310	0.543	3	107.6067	1.028	6	107.6067	1.028	6	107.1096	4.180	24
811	856	933	0:SP3_SP2_SP2	B[6,6a]	N[6,6]	O[6a]	3:2:2:2:	4:3:3:	4:3:	N[6,6]-3:O[6a]-2:O[6a]-2:O[6]-2:	B[6,6a]-4:C[6,6]-3:C[6]-3:	B[6,6a]-4:C[6a]-3:	B[6,6a](N[6,6]C[6,6]C[6])(O[6a]C[6a,6a])(O[6a]C[6a])(O[6]C[6])	N[6,6](B[6,6a]O[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	O[6a](B[6,6a]N[6,6]O[6a]O[6])(C[6a]C[6a,6a]O)	B[6,6a](N[6,6]C[6,6]C[6])(O[6a]C[6a,6a])(O[6a]C[6a])(O[6]C[6]){1|H<1>,1|O<1>,6|C<3>}	N[6,6](B[6,6a]O[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	O[6a](B[6,6a]N[6,6]O[6a]O[6])(C[6a]C[6a,6a]O){5|C<3>}	106.8823	0.674	3	106.8823	0.454	3	106.8823	0.454	3	107.6067	1.028	6	107.6067	1.028	6	107.1096	4.180	24
811	856	933	0:SP3_SP2_SP2	B[6,6a]	N[6]	O[6a]	3:2:2:3:	4:3:1:	4:3:	C[6,6a]-3:O[6a]-2:O[6a]-2:N[6]-3:	B[6,6a]-4:C[6]-3:H-1:	B[6,6a]-4:C[6a,6a]-3:	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H)	N[6](B[6,6a]C[6,6a]O[6a]2)(C[6]N[6]C)(H)	O[6a](B[6,6a]C[6,6a]O[6a]N[6])(C[6a,6a]C[6a,6a]C[6a])	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6](B[6,6a]C[6,6a]O[6a]2)(C[6]N[6]C)(H){1|H<1>,4|C<3>}	O[6a](B[6,6a]C[6,6a]O[6a]N[6])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	108.2775	0.401	2	108.2775	0.161	2	108.2775	0.161	2	107.0975	1.926	4	107.0975	1.926	4	107.1096	4.180	24
811	856	933	0:SP3_SP2_SP2	B[6,6a]	N[6]	O[6a]	3:2:2:3:	4:3:1:	4:3:	C[6,6a]-3:O[6a]-2:O[6a]-2:N[6]-3:	B[6,6a]-4:C[6]-3:H-1:	B[6,6a]-4:C[6a]-3:	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H)	N[6](B[6,6a]C[6,6a]O[6a]2)(C[6]N[6]C)(H)	O[6a](B[6,6a]C[6,6a]O[6a]N[6])(C[6a]C[6a,6a]O)	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6](B[6,6a]C[6,6a]O[6a]2)(C[6]N[6]C)(H){1|H<1>,4|C<3>}	O[6a](B[6,6a]C[6,6a]O[6a]N[6])(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	105.9175	0.220	2	105.9175	0.048	2	105.9175	0.048	2	107.0975	1.926	4	107.0975	1.926	4	107.1096	4.180	24
811	856	933	0:SP3_SP2_SP2	B[6a,6a]	N[6]	O[6a]	4:2:2:3:	4:3:3:	4:3:	B[6a,6a]-4:O[6a]-2:O[6a]-2:N[6]-3:	B[6a,6a]-4:C[6]-3:C[6]-3:	B[6a,6a]-4:C[6a,6a]-3:	B[6a,6a](B[6a,6a]O[6a]2N[6])(O[6a]C[6a,6a])2(N[6]C[6]2)	N[6](B[6a,6a]B[6a,6a]O[6a]2)(C[6]C[6]H)2	O[6a](B[6a,6a]B[6a,6a]O[6a]N[6])(C[6a,6a]C[6a,6a]C[6a])	B[6a,6a](B[6a,6a]O[6a]2N[6])(O[6a]C[6a,6a])2(N[6]C[6]2){2|H<1>,8|C<3>}	N[6](B[6a,6a]B[6a,6a]O[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|O<2>,3|C<3>}	O[6a](B[6a,6a]B[6a,6a]O[6a]N[6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,2|O<2>,5|C<3>}	103.8912	1.534	4	103.8912	2.352	4	103.8912	2.352	4	103.8912	2.352	4	103.8912	2.352	4	107.1096	4.180	24
811	856	933	0:SP3_SP2_SP2	B[6a]	N[6]	O[6a]	2:2:3:3:	4:3:3:	4:3:	O[6a]-2:O[6a]-2:N[6]-3:N[6]-3:	B[6a]-4:C[6]-3:C[6]-3:	B[6a]-4:B[6a]-3:	B[6a](O[6a]B[6a])2(N[6]C[6]2)2	N[6](B[6a]O[6a]2N[6])(C[6]C[6]H)2	O[6a](B[6a]O[6a]N[6]2)(B[6a]O[6a]N[6])	B[6a](O[6a]B[6a])2(N[6]C[6]2)2{1|O<2>,2|N<3>,4|C<3>,4|H<1>}	N[6](B[6a]O[6a]2N[6])(C[6]C[6]H)2{2|B<3>,2|H<1>,3|C<3>}	O[6a](B[6a]O[6a]N[6]2)(B[6a]O[6a]N[6]){1|B<3>,6|C<3>}	108.8303	0.776	8	108.8303	0.603	8	108.8303	0.603	8	108.8303	0.603	8	108.1035	2.820	10	107.1096	4.180	24
811	856	933	0:SP3_SP2_SP2	B[6a]	N[6]	O[6a]	3:2:2:3:	4:3:3:	4:3:	C[6a]-3:O[6a]-2:O[6a]-2:N[6]-3:	B[6a]-4:C[6]-3:C[6]-3:	B[6a]-4:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(N[6]C[6]2)	N[6](B[6a]C[6a]O[6a]2)(C[6]C[6]H)2	O[6a](B[6a]C[6a]O[6a]N[6])(B[6a]C[6a]O[6a])	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(N[6]C[6]2){1|O<2>,4|H<1>,6|C<3>}	N[6](B[6a]C[6a]O[6a]2)(C[6]C[6]H)2{2|B<3>,2|H<1>,3|C<3>}	O[6a](B[6a]C[6a]O[6a]N[6])(B[6a]C[6a]O[6a]){1|B<3>,6|C<3>}	105.1965	0.183	2	105.1965	0.034	2	105.1965	0.034	2	105.1965	0.034	2	108.1035	2.820	10	107.1096	4.180	24
811	892	933	0:SP3_SP2_SP3	B[6a]	N	O[6a]	3:2:2:4:	4:4:1:1:	4:3:	C[6a]-3:O[6a]-2:O[6a]-2:N-4:	B[6a]-4:C-4:H-1:H-1:	B[6a]-4:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(NCHH)	N(B[6a]C[6a]O[6a]2)(CC[6a]HH)(H)2	O[6a](B[6a]C[6a]O[6a]N)(B[6a]C[6a]O[6a])	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(NCHH){1|O<2>,2|H<1>,4|C<3>}	N(B[6a]C[6a]O[6a]2)(CC[6a]HH)(H)2	O[6a](B[6a]C[6a]O[6a]N)(B[6a]C[6a]O[6a]){1|B<3>,4|C<3>}	104.8678	1.276	6	104.8678	1.628	6	104.8678	1.628	6	104.8678	1.628	6	104.8678	1.628	6	104.8678	1.628	6
811	892	951	0:SP3_SP-NON_SP3	B[6a]	N	H	4:4:4:1:	4:4:1:1:	4:	N[6a]-4:N[6a]-4:N-4:H-1:	B[6a]-4:B-4:H-1:H-1:	B[6a]-4:	B[6a](N[6a]B[6a]HH)2(NBHH)(H)	N(B[6a]N[6a]2H)(BH3)(H)2	H(B[6a]N[6a]2N)	B[6a](N[6a]B[6a]HH)2(NBHH)(H){1|N<4>,4|H<1>}	N(B[6a]N[6a]2H)(BH3)(H)2	H(B[6a]N[6a]2N)	110.5140	0.000	1	110.5140	0.000	1	110.5140	0.000	1	110.5140	0.000	1	110.5140	0.000	1	110.5140	0.000	1
811	893	893	0:SP3_SP2_SP2	B[6a]	O	O	2:2:2:2:	3:4:	3:4:	O[6a]-2:O[6a]-2:O-2:O-2:	C[6a]-3:B[6a]-4:	C[6a]-3:B[6a]-4:	B[6a](O[6a]B[6a])2(OC[6a])2	O(C[6a]C[6a,6a]C[6a])(B[6a]O[6a]2O)	O(C[6a]C[6a,6a]C[6a])(B[6a]O[6a]2O)	B[6a](O[6a]B[6a])2(OC[6a])2{3|O<2>}	O(C[6a]C[6a,6a]C[6a])(B[6a]O[6a]2O)	O(C[6a]C[6a,6a]C[6a])(B[6a]O[6a]2O)	110.3150	0.000	1	110.3150	0.000	1	110.3150	0.000	1	110.3150	0.000	1	107.9725	10.975	2	107.9725	10.975	2
811	893	893	0:SP3_SP2_SP2	B[6a]	O	O	2:2:2:2:	4:3:	4:3:	O[6a]-2:O[6a]-2:O-2:O-2:	B[6a]-4:C-3:	B[6a]-4:C-3:	B[6a](O[6a]C[6,6a])(O[6a]C[6a])(OC)2	O(B[6a]O[6a]2O)(CCO)	O(B[6a]O[6a]2O)(CCO)	B[6a](O[6a]C[6,6a])(O[6a]C[6a])(OC)2{1|O<1>,2|C<3>}	O(B[6a]O[6a]2O)(CCO)	O(B[6a]O[6a]2O)(CCO)	105.6300	0.000	1	105.6300	0.000	1	105.6300	0.000	1	105.6300	0.000	1	107.9725	10.975	2	107.9725	10.975	2
811	893	893	0:SP3_SP2_SP3	B[6a]	O	O	2:2:2:2:	4:3:	4:1:	O[6a]-2:O[6a]-2:O-2:O-2:	B[6a]-4:B[6a]-3:	B[6a]-4:H-1:	B[6a](O[6a]B[6a])2(OB[6a])(OH)	O(B[6a]O[6a]2O)(B[6a]O[6a]2)	O(B[6a]O[6a]2O)(H)	B[6a](O[6a]B[6a])2(OB[6a])(OH){3|O<2>}	O(B[6a]O[6a]2O)(B[6a]O[6a]2)	O(B[6a]O[6a]2O)(H)	112.2320	0.000	1	112.2320	0.000	1	112.2320	0.000	1	112.2320	0.000	1	112.2320	0.000	1	112.2320	0.000	1
811	893	893	0:SP3_SP3_SP3	B[6a]	O	O	2:2:2:2:	4:1:	4:1:	O[6a]-2:O[6a]-2:O-2:O-2:	B[6a]-4:H-1:	B[6a]-4:H-1:	B[6a](O[6a]B[6a])2(OH)2	O(B[6a]O[6a]2O)(H)	O(B[6a]O[6a]2O)(H)	B[6a](O[6a]B[6a])2(OH)2{3|O<2>}	O(B[6a]O[6a]2O)(H)	O(B[6a]O[6a]2O)(H)	107.4220	0.000	1	107.4220	0.000	1	107.4220	0.000	1	107.4220	0.000	1	107.4220	0.000	1	107.4220	0.000	1
811	893	933	0:SP3_SP2_SP2	B[6a]	O	O[6a]	2:2:2:2:	3:4:	4:3:	O[6a]-2:O[6a]-2:O-2:O-2:	C[6a]-3:B[6a]-4:	B[6a]-4:B[6a]-3:	B[6a](O[6a]B[6a])2(OC[6a])2	O(C[6a]C[6a,6a]C[6a])(B[6a]O[6a]2O)	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O)	B[6a](O[6a]B[6a])2(OC[6a])2{3|O<2>}	O(C[6a]C[6a,6a]C[6a])(B[6a]O[6a]2O)	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O){1|B<3>}	108.7447	2.718	4	108.7447	7.389	4	108.7447	7.389	4	108.7447	7.389	4	109.2240	3.673	10	109.2240	3.673	10
811	893	933	0:SP3_SP2_SP2	B[6a]	O	O[6a]	2:2:2:2:	4:3:	3:4:	O[6a]-2:O[6a]-2:O-2:O-2:	B[6a]-4:C-3:	C[6,6a]-3:B[6a]-4:	B[6a](O[6a]C[6,6a])(O[6a]C[6a])(OC)2	O(B[6a]O[6a]2O)(CCO)	O[6a](C[6,6a]C[6,6a]2)(B[6a]O[6a]OO)	B[6a](O[6a]C[6,6a])(O[6a]C[6a])(OC)2{1|O<1>,2|C<3>}	O(B[6a]O[6a]2O)(CCO)	O[6a](C[6,6a]C[6,6a]2)(B[6a]O[6a]OO){4|C<3>}	108.5775	1.010	2	108.5775	1.021	2	108.5775	1.021	2	109.4613	1.393	4	109.2240	3.673	10	109.2240	3.673	10
811	893	933	0:SP3_SP2_SP2	B[6a]	O	O[6a]	2:2:2:2:	4:3:	3:4:	O[6a]-2:O[6a]-2:O-2:O-2:	B[6a]-4:C-3:	C[6a]-3:B[6a]-4:	B[6a](O[6a]C[6,6a])(O[6a]C[6a])(OC)2	O(B[6a]O[6a]2O)(CCO)	O[6a](C[6a]C[6,6a]O)(B[6a]O[6a]OO)	B[6a](O[6a]C[6,6a])(O[6a]C[6a])(OC)2{1|O<1>,2|C<3>}	O(B[6a]O[6a]2O)(CCO)	O[6a](C[6a]C[6,6a]O)(B[6a]O[6a]OO){2|C<3>}	110.3450	0.182	2	110.3450	0.033	2	110.3450	0.033	2	109.4613	1.393	4	109.2240	3.673	10	109.2240	3.673	10
811	893	933	0:SP3_SP2_SP2	B[6a]	O	O[6a]	2:2:2:2:	4:3:	4:3:	O[6a]-2:O[6a]-2:O-2:O-2:	B[6a]-4:B[6a]-3:	B[6a]-4:B[6a]-3:	B[6a](O[6a]B[6a])2(OB[6a])(OH)	O(B[6a]O[6a]2O)(B[6a]O[6a]2)	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O)	B[6a](O[6a]B[6a])2(OB[6a])(OH){3|O<2>}	O(B[6a]O[6a]2O)(B[6a]O[6a]2)	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O){1|B<3>}	109.7080	2.258	2	109.7080	5.101	2	109.7080	5.101	2	109.7080	5.101	2	109.2240	3.673	10	109.2240	3.673	10
811	893	933	0:SP3_SP2_SP3	B[6,6a]	O	O[6a]	3:3:2:2:	4:4:	4:3:	C[6,6a]-3:N[6,6a]-3:O[6a]-2:O-2:	B[6,6a]-4:C-4:	B[6,6a]-4:B[6a]-3:	B[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(O[6a]B[6a])(OC)	O(B[6,6a]C[6,6a]N[6,6a]O[6a])(CH3)	O[6a](B[6,6a]C[6,6a]N[6,6a]O)(B[6a]C[6a,6a]O)	B[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(O[6a]B[6a])(OC){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	O(B[6,6a]C[6,6a]N[6,6a]O[6a])(CH3)	O[6a](B[6,6a]C[6,6a]N[6,6a]O)(B[6a]C[6a,6a]O){5|C<3>}	104.0540	0.000	1	104.0540	0.000	1	104.0540	0.000	1	104.0540	0.000	1	104.0540	0.000	1	108.4068	5.660	15
811	893	933	0:SP3_SP2_SP3	B[6a]	O	O[6a]	2:2:2:2:	4:1:	4:3:	O[6a]-2:O[6a]-2:O-2:O-2:	B[6a]-4:H-1:	B[6a]-4:B[6a]-3:	B[6a](O[6a]B[6a])2(OB[6a])(OH)	O(B[6a]O[6a]2O)(H)	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O)	B[6a](O[6a]B[6a])2(OB[6a])(OH){3|O<2>}	O(B[6a]O[6a]2O)(H)	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O){1|B<3>}	107.9725	0.558	2	107.9725	0.311	2	109.1898	1.243	6	109.1898	1.243	6	108.7177	4.533	14	108.4068	5.660	15
811	893	933	0:SP3_SP2_SP3	B[6a]	O	O[6a]	2:2:2:2:	4:1:	4:3:	O[6a]-2:O[6a]-2:O-2:O-2:	B[6a]-4:H-1:	B[6a]-4:B[6a]-3:	B[6a](O[6a]B[6a])2(OH)2	O(B[6a]O[6a]2O)(H)	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O)	B[6a](O[6a]B[6a])2(OH)2{3|O<2>}	O(B[6a]O[6a]2O)(H)	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O){1|B<3>}	109.7985	0.697	4	109.7985	0.486	4	109.1898	1.243	6	109.1898	1.243	6	108.7177	4.533	14	108.4068	5.660	15
811	893	933	0:SP3_SP2_SP3	B[6a]	O	O[6a]	2:2:3:2:	4:1:	3:4:	O[6a]-2:O[6a]-2:C[6]-3:O-2:	B[6a]-4:H-1:	C[6a,6a]-3:B[6a]-4:	B[6a](O[6a]C[6a,6a])(O[6a]C[6a])(C[6]C[6]2)(OH)	O(B[6a]O[6a]2C[6])(H)	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]O[6a]C[6]O)	B[6a](O[6a]C[6a,6a])(O[6a]C[6a])(C[6]C[6]2)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O(B[6a]O[6a]2C[6])(H)	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]O[6a]C[6]O){1|H<1>,5|C<3>}	110.4083	2.617	3	110.4083	6.848	3	110.4083	6.848	3	110.4083	6.848	3	108.7177	4.533	14	108.4068	5.660	15
811	893	933	0:SP3_SP2_SP3	B[6a]	O	O[6a]	2:2:3:2:	4:1:	4:3:	O[6a]-2:O[6a]-2:C[6]-3:O-2:	B[6a]-4:H-1:	B[6a]-4:C[6a]-3:	B[6a](O[6a]C[6a,6a])(O[6a]C[6a])(C[6]C[6]2)(OH)	O(B[6a]O[6a]2C[6])(H)	O[6a](B[6a]O[6a]C[6]O)(C[6a]C[6a,6a]O)	B[6a](O[6a]C[6a,6a])(O[6a]C[6a])(C[6]C[6]2)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O(B[6a]O[6a]2C[6])(H)	O[6a](B[6a]O[6a]C[6]O)(C[6a]C[6a,6a]O){4|C<3>}	106.9130	2.849	3	106.9130	8.117	3	106.9130	8.117	3	106.9130	8.117	3	108.7177	4.533	14	108.4068	5.660	15
811	893	933	0:SP3_SP2_SP3	B[6a]	O	O[6a]	3:2:2:2:	4:4:	4:3:	C[6a]-3:O[6a]-2:O[6a]-2:O-2:	B[6a]-4:N-4:	B[6a]-4:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(ON)	O(B[6a]C[6a]O[6a]2)(NC[6]HH)	O[6a](B[6a]C[6a]O[6a]O)(B[6a]C[6a]O[6a])	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(ON){1|O<2>,2|H<1>,4|C<3>}	O(B[6a]C[6a]O[6a]2)(NC[6]HH)	O[6a](B[6a]C[6a]O[6a]O)(B[6a]C[6a]O[6a]){1|B<3>,4|C<3>}	107.4725	0.076	2	107.4725	0.006	2	107.4725	0.006	2	107.4725	0.006	2	108.7177	4.533	14	108.4068	5.660	15
811	933	933	0:SP3_SP2_SP2	B[6a,6a]	O[6a]	O[6a]	2:2:2:2:	3:4:	3:4:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	B[6a]-3:B[6a,6a]-4:	B[6a]-3:B[6a,6a]-4:	B[6a,6a](O[6a]B[6a])4	O[6a](B[6a]C[6a]O[6a])(B[6a,6a]O[6a]3)	O[6a](B[6a]C[6a]O[6a])(B[6a,6a]O[6a]3)	B[6a,6a](O[6a]B[6a])4{2|O<2>,4|C<3>}	O[6a](B[6a]C[6a]O[6a])(B[6a,6a]O[6a]3){2|C<3>,3|B<3>}	O[6a](B[6a]C[6a]O[6a])(B[6a,6a]O[6a]3){2|C<3>,3|B<3>}	108.4009	1.243	16	108.4009	1.545	16	108.4009	1.545	16	108.6790	1.754	26	108.6721	1.107	231	108.6721	1.107	231
811	933	933	0:SP3_SP2_SP2	B[6a,6a]	O[6a]	O[6a]	2:2:2:2:	3:4:	3:4:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	C[6a,6a]-3:B[6a,6a]-4:	C[6a,6a]-3:B[6a,6a]-4:	B[6a,6a](O[6a]C[6a,6a])2(O[6a]C[6a])2	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]O[6a]3)	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]O[6a]3)	B[6a,6a](O[6a]C[6a,6a])2(O[6a]C[6a])2{2|O<1>,4|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]O[6a]3){1|H<1>,5|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]O[6a]3){1|H<1>,5|C<3>}	109.1240	1.393	10	109.1240	1.940	10	109.1240	1.940	10	108.6790	1.754	26	108.6721	1.107	231	108.6721	1.107	231
811	933	933	0:SP3_SP2_SP2	B[6a,6a]	O[6a]	O[6a]	2:2:2:2:	3:4:	4:3:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	C[6a,6a]-3:B[6a,6a]-4:	B[6a,6a]-4:C[6a]-3:	B[6a,6a](O[6a]C[6a,6a])2(O[6a]C[6a])2	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]O[6a]3)	O[6a](B[6a,6a]O[6a]3)(C[6a]C[6a,6a]O)	B[6a,6a](O[6a]C[6a,6a])2(O[6a]C[6a])2{2|O<1>,4|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]O[6a]3){1|H<1>,5|C<3>}	O[6a](B[6a,6a]O[6a]3)(C[6a]C[6a,6a]O){4|C<3>}	107.9624	0.758	20	107.9624	0.574	20	107.9624	0.574	20	107.9624	0.574	20	108.6721	1.107	231	108.6721	1.107	231
811	933	933	0:SP3_SP2_SP2	B[6a,6a]	O[6a]	O[6a]	2:2:2:2:	4:3:	4:3:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	B[6a,6a]-4:B[6a]-3:	B[6a,6a]-4:B[6a]-3:	B[6a,6a](O[6a]B[6a])4	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]N[6])	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]N[6])	B[6a,6a](O[6a]B[6a])4{2|O<2>,4|N<3>}	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]N[6]){2|C<3>,3|B<3>}	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]N[6]){2|C<3>,3|B<3>}	108.6135	0.125	2	108.6135	0.016	2	108.8555	0.833	174	108.7465	1.036	183	108.6721	1.107	231	108.6721	1.107	231
811	933	933	0:SP3_SP2_SP2	B[6a,6a]	O[6a]	O[6a]	2:2:2:2:	4:3:	4:3:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	B[6a,6a]-4:B[6a]-3:	B[6a,6a]-4:B[6a]-3:	B[6a,6a](O[6a]B[6a])4	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O)	B[6a,6a](O[6a]B[6a])4{1|O<1>,5|O<2>}	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O){3|B<3>}	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O){3|B<3>}	108.8757	1.344	4	108.8583	0.842	172	108.8555	0.833	174	108.7465	1.036	183	108.6721	1.107	231	108.6721	1.107	231
811	933	933	0:SP3_SP2_SP2	B[6a,6a]	O[6a]	O[6a]	2:2:2:2:	4:3:	4:3:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	B[6a,6a]-4:B[6a]-3:	B[6a,6a]-4:B[6a]-3:	B[6a,6a](O[6a]B[6a])4	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O)	B[6a,6a](O[6a]B[6a])4{6|O<2>}	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O){3|B<3>}	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O){3|B<3>}	108.8579	0.911	168	108.8583	0.842	172	108.8555	0.833	174	108.7465	1.036	183	108.6721	1.107	231	108.6721	1.107	231
811	933	933	0:SP3_SP2_SP2	B[6a,6a]	O[6a]	O[6a]	2:2:2:2:	4:3:	4:3:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	B[6a,6a]-4:C[6a]-3:	B[6a,6a]-4:C[6a]-3:	B[6a,6a](O[6a]C[6a,6a])2(O[6a]C[6a])2	O[6a](B[6a,6a]O[6a]3)(C[6a]C[6a,6a]O)	O[6a](B[6a,6a]O[6a]3)(C[6a]C[6a,6a]O)	B[6a,6a](O[6a]C[6a,6a])2(O[6a]C[6a])2{2|O<1>,4|C<3>}	O[6a](B[6a,6a]O[6a]3)(C[6a]C[6a,6a]O){4|C<3>}	O[6a](B[6a,6a]O[6a]3)(C[6a]C[6a,6a]O){4|C<3>}	106.6381	0.553	9	106.6381	0.306	9	106.6381	0.306	9	108.7465	1.036	183	108.6721	1.107	231	108.6721	1.107	231
811	933	933	0:SP3_SP2_SP2	B[6a,6a]	O[6a]	O[6a]	4:2:2:3:	4:3:	4:3:	B[6a,6a]-4:O[6a]-2:O[6a]-2:N[6]-3:	B[6a,6a]-4:C[6a,6a]-3:	B[6a,6a]-4:C[6a,6a]-3:	B[6a,6a](B[6a,6a]O[6a]2N[6])(O[6a]C[6a,6a])2(N[6]C[6]2)	O[6a](B[6a,6a]B[6a,6a]O[6a]N[6])(C[6a,6a]C[6a,6a]C[6a])	O[6a](B[6a,6a]B[6a,6a]O[6a]N[6])(C[6a,6a]C[6a,6a]C[6a])	B[6a,6a](B[6a,6a]O[6a]2N[6])(O[6a]C[6a,6a])2(N[6]C[6]2){2|H<1>,8|C<3>}	O[6a](B[6a,6a]B[6a,6a]O[6a]N[6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,2|O<2>,5|C<3>}	O[6a](B[6a,6a]B[6a,6a]O[6a]N[6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,2|O<2>,5|C<3>}	108.8755	0.411	2	108.8755	0.169	2	108.8755	0.169	2	108.8755	0.169	2	108.6721	1.107	231	108.6721	1.107	231
811	933	933	6:SP3_SP2_SP2	B[6,6a]	O[6a]	O[6a]	2:2:2:2:	4:3:	4:3:	O[6]-2:O[6a]-2:O[6a]-2:O[6]-2:	B[6,6a]-4:B[6a]-3:	B[6,6a]-4:B[6a]-3:	B[6,6a](O[6]B[6,6])(O[6a]B[6a])2(O[6]B[6])	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O)	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O)	B[6,6a](O[6]B[6,6])(O[6a]B[6a])2(O[6]B[6]){7|O<2>}	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O){1|B<4>,2|B<3>}	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O){1|B<4>,2|B<3>}	108.1755	1.050	2	108.1755	1.103	2	109.3310	0.884	8	109.3310	0.884	8	110.5055	4.063	13	111.0243	2.004	155
811	933	933	6:SP3_SP2_SP2	B[6,6a]	O[6a]	O[6a]	2:2:2:2:	4:3:	4:3:	O[6]-2:O[6a]-2:O[6a]-2:O[6]-2:	B[6,6a]-4:B[6a]-3:	B[6,6a]-4:B[6a]-3:	B[6,6a](O[6]B[6,6a])(O[6a]B[6a])2(O[6]B[6])	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O)	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O)	B[6,6a](O[6]B[6,6a])(O[6a]B[6a])2(O[6]B[6]){7|O<2>}	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O){1|B<4>,2|B<3>}	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O){1|B<4>,2|B<3>}	109.7162	0.552	6	109.7162	0.305	6	109.3310	0.884	8	109.3310	0.884	8	110.5055	4.063	13	111.0243	2.004	155
811	933	933	6:SP3_SP2_SP2	B[6,6a]	O[6a]	O[6a]	3:2:2:2:	4:3:	4:3:	N[6,6]-3:O[6a]-2:O[6a]-2:O[6]-2:	B[6,6a]-4:C[6a,6a]-3:	B[6,6a]-4:C[6a]-3:	B[6,6a](N[6,6]C[6,6]C[6])(O[6a]C[6a,6a])(O[6a]C[6a])(O[6]C[6])	O[6a](B[6,6a]N[6,6]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])	O[6a](B[6,6a]N[6,6]O[6a]O[6])(C[6a]C[6a,6a]O)	B[6,6a](N[6,6]C[6,6]C[6])(O[6a]C[6a,6a])(O[6a]C[6a])(O[6]C[6]){1|H<1>,1|O<1>,6|C<3>}	O[6a](B[6,6a]N[6,6]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	O[6a](B[6,6a]N[6,6]O[6a]O[6])(C[6a]C[6a,6a]O){5|C<3>}	113.5310	1.412	3	113.5310	1.994	3	113.5310	1.994	3	113.5310	1.994	3	110.5055	4.063	13	111.0243	2.004	155
811	933	933	6:SP3_SP2_SP2	B[6,6a]	O[6a]	O[6a]	3:2:2:3:	4:3:	4:3:	C[6,6a]-3:O[6a]-2:O[6a]-2:N[6]-3:	B[6,6a]-4:C[6a,6a]-3:	B[6,6a]-4:C[6a]-3:	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H)	O[6a](B[6,6a]C[6,6a]O[6a]N[6])(C[6a,6a]C[6a,6a]C[6a])	O[6a](B[6,6a]C[6,6a]O[6a]N[6])(C[6a]C[6a,6a]O)	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O[6a](B[6,6a]C[6,6a]O[6a]N[6])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	O[6a](B[6,6a]C[6,6a]O[6a]N[6])(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	110.6655	0.177	2	110.6655	0.032	2	110.6655	0.032	2	110.6655	0.032	2	110.5055	4.063	13	111.0243	2.004	155
811	933	933	6:SP3_SP2_SP2	B[6a,6a]	O[6a]	O[6a]	2:2:2:2:	3:4:	3:4:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	B[6a]-3:B[6a,6a]-4:	B[6a]-3:B[6a,6a]-4:	B[6a,6a](O[6a]B[6a])4	O[6a](B[6a]C[6a]O[6a])(B[6a,6a]O[6a]3)	O[6a](B[6a]C[6a]O[6a])(B[6a,6a]O[6a]3)	B[6a,6a](O[6a]B[6a])4{2|O<2>,4|C<3>}	O[6a](B[6a]C[6a]O[6a])(B[6a,6a]O[6a]3){2|C<3>,3|B<3>}	O[6a](B[6a]C[6a]O[6a])(B[6a,6a]O[6a]3){2|C<3>,3|B<3>}	111.6026	0.973	8	111.6026	0.946	8	111.6026	0.946	8	111.4192	1.131	9	110.9365	1.495	127	111.0243	2.004	155
811	933	933	6:SP3_SP2_SP2	B[6a,6a]	O[6a]	O[6a]	2:2:2:2:	3:4:	3:4:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	C[6a,6a]-3:B[6a,6a]-4:	C[6a,6a]-3:B[6a,6a]-4:	B[6a,6a](O[6a]C[6a,6a])2(O[6a]C[6a])2	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]O[6a]3)	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]O[6a]3)	B[6a,6a](O[6a]C[6a,6a])2(O[6a]C[6a])2{2|O<1>,4|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]O[6a]3){1|H<1>,5|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]O[6a]3){1|H<1>,5|C<3>}	109.9520	0.000	1	109.9520	0.000	1	109.9520	0.000	1	111.4192	1.131	9	110.9365	1.495	127	111.0243	2.004	155
811	933	933	6:SP3_SP2_SP2	B[6a,6a]	O[6a]	O[6a]	2:2:2:2:	3:4:	4:3:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	C[6a,6a]-3:B[6a,6a]-4:	B[6a,6a]-4:C[6a]-3:	B[6a,6a](O[6a]C[6a,6a])2(O[6a]C[6a])2	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]O[6a]3)	O[6a](B[6a,6a]O[6a]3)(C[6a]C[6a,6a]O)	B[6a,6a](O[6a]C[6a,6a])2(O[6a]C[6a])2{2|O<1>,4|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]O[6a]3){1|H<1>,5|C<3>}	O[6a](B[6a,6a]O[6a]3)(C[6a]C[6a,6a]O){4|C<3>}	112.3982	1.308	22	112.3982	1.712	22	112.3982	1.712	22	112.3982	1.712	22	110.9365	1.495	127	111.0243	2.004	155
811	933	933	6:SP3_SP2_SP2	B[6a,6a]	O[6a]	O[6a]	2:2:2:2:	4:3:	4:3:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	B[6a,6a]-4:B[6a]-3:	B[6a,6a]-4:B[6a]-3:	B[6a,6a](O[6a]B[6a])4	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]N[6])	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]N[6])	B[6a,6a](O[6a]B[6a])4{2|O<2>,4|N<3>}	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]N[6]){2|C<3>,3|B<3>}	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]N[6]){2|C<3>,3|B<3>}	111.1930	1.242	2	111.1930	1.542	2	110.6003	0.667	95	110.5563	0.846	96	110.9365	1.495	127	111.0243	2.004	155
811	933	933	6:SP3_SP2_SP2	B[6a,6a]	O[6a]	O[6a]	2:2:2:2:	4:3:	4:3:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	B[6a,6a]-4:B[6a]-3:	B[6a,6a]-4:B[6a]-3:	B[6a,6a](O[6a]B[6a])4	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O)	B[6a,6a](O[6a]B[6a])4{1|O<1>,5|O<2>}	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O){3|B<3>}	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O){3|B<3>}	110.6420	0.703	2	110.5876	0.657	93	110.6003	0.667	95	110.5563	0.846	96	110.9365	1.495	127	111.0243	2.004	155
811	933	933	6:SP3_SP2_SP2	B[6a,6a]	O[6a]	O[6a]	2:2:2:2:	4:3:	4:3:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	B[6a,6a]-4:B[6a]-3:	B[6a,6a]-4:B[6a]-3:	B[6a,6a](O[6a]B[6a])4	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O)	B[6a,6a](O[6a]B[6a])4{6|O<2>}	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O){3|B<3>}	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O){3|B<3>}	110.5864	0.816	91	110.5876	0.657	93	110.6003	0.667	95	110.5563	0.846	96	110.9365	1.495	127	111.0243	2.004	155
811	933	933	6:SP3_SP2_SP2	B[6a,6a]	O[6a]	O[6a]	2:2:2:2:	4:3:	4:3:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	B[6a,6a]-4:C[6a]-3:	B[6a,6a]-4:C[6a]-3:	B[6a,6a](O[6a]C[6a,6a])2(O[6a]C[6a])2	O[6a](B[6a,6a]O[6a]3)(C[6a]C[6a,6a]O)	O[6a](B[6a,6a]O[6a]3)(C[6a]C[6a,6a]O)	B[6a,6a](O[6a]C[6a,6a])2(O[6a]C[6a])2{2|O<1>,4|C<3>}	O[6a](B[6a,6a]O[6a]3)(C[6a]C[6a,6a]O){4|C<3>}	O[6a](B[6a,6a]O[6a]3)(C[6a]C[6a,6a]O){4|C<3>}	106.3720	0.000	1	106.3720	0.000	1	106.3720	0.000	1	110.5563	0.846	96	110.9365	1.495	127	111.0243	2.004	155
811	933	933	6:SP3_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:2:2:	3:4:	3:4:	O[6a]-2:O[6a]-2:O-2:O-2:	C[6,6a]-3:B[6a]-4:	C[6a]-3:B[6a]-4:	B[6a](O[6a]C[6,6a])(O[6a]C[6a])(OC)2	O[6a](C[6,6a]C[6,6a]2)(B[6a]O[6a]OO)	O[6a](C[6a]C[6,6a]O)(B[6a]O[6a]OO)	B[6a](O[6a]C[6,6a])(O[6a]C[6a])(OC)2{1|O<1>,2|C<3>}	O[6a](C[6,6a]C[6,6a]2)(B[6a]O[6a]OO){4|C<3>}	O[6a](C[6a]C[6,6a]O)(B[6a]O[6a]OO){2|C<3>}	113.0710	0.000	1	113.0710	0.000	1	113.0710	0.000	1	113.0710	0.000	1	112.2173	3.259	15	111.0243	2.004	155
811	933	933	6:SP3_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:2:2:	4:3:	4:3:	O[6a]-2:O[6a]-2:O-2:O-2:	B[6a]-4:B[6a]-3:	B[6a]-4:B[6a]-3:	B[6a](O[6a]B[6a])2(OB[6a])(OH)	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O)	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O)	B[6a](O[6a]B[6a])2(OB[6a])(OH){3|O<2>}	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O){1|B<3>}	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O){1|B<3>}	109.1760	0.000	1	109.1760	0.000	1	110.3117	1.466	3	110.3117	1.466	3	112.2173	3.259	15	111.0243	2.004	155
811	933	933	6:SP3_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:2:2:	4:3:	4:3:	O[6a]-2:O[6a]-2:O-2:O-2:	B[6a]-4:B[6a]-3:	B[6a]-4:B[6a]-3:	B[6a](O[6a]B[6a])2(OC[6a])2	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O)	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O)	B[6a](O[6a]B[6a])2(OC[6a])2{3|O<2>}	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O){1|B<3>}	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O){1|B<3>}	111.5860	0.000	1	111.5860	0.000	1	110.3117	1.466	3	110.3117	1.466	3	112.2173	3.259	15	111.0243	2.004	155
811	933	933	6:SP3_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:2:2:	4:3:	4:3:	O[6a]-2:O[6a]-2:O-2:O-2:	B[6a]-4:B[6a]-3:	B[6a]-4:B[6a]-3:	B[6a](O[6a]B[6a])2(OH)2	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O)	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O)	B[6a](O[6a]B[6a])2(OH)2{3|O<2>}	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O){1|B<3>}	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O){1|B<3>}	110.1730	0.000	1	110.1730	0.000	1	110.3117	1.466	3	110.3117	1.466	3	112.2173	3.259	15	111.0243	2.004	155
811	933	933	6:SP3_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:3:2:	3:4:	4:3:	O[6a]-2:O[6a]-2:C[6]-3:O-2:	C[6a,6a]-3:B[6a]-4:	B[6a]-4:C[6a]-3:	B[6a](O[6a]C[6a,6a])(O[6a]C[6a])(C[6]C[6]2)(OH)	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]O[6a]C[6]O)	O[6a](B[6a]O[6a]C[6]O)(C[6a]C[6a,6a]O)	B[6a](O[6a]C[6a,6a])(O[6a]C[6a])(C[6]C[6]2)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]O[6a]C[6]O){1|H<1>,5|C<3>}	O[6a](B[6a]O[6a]C[6]O)(C[6a]C[6a,6a]O){4|C<3>}	110.4327	0.063	3	110.4327	0.004	3	110.4327	0.004	3	110.4327	0.004	3	112.2173	3.259	15	111.0243	2.004	155
811	933	933	6:SP3_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:3:3:	4:3:	4:3:	O[6a]-2:O[6a]-2:N[6]-3:N[6]-3:	B[6a]-4:B[6a]-3:	B[6a]-4:B[6a]-3:	B[6a](O[6a]B[6a])2(N[6]C[6]2)2	O[6a](B[6a]O[6a]N[6]2)(B[6a]O[6a]N[6])	O[6a](B[6a]O[6a]N[6]2)(B[6a]O[6a]N[6])	B[6a](O[6a]B[6a])2(N[6]C[6]2)2{1|O<2>,2|N<3>,4|C<3>,4|H<1>}	O[6a](B[6a]O[6a]N[6]2)(B[6a]O[6a]N[6]){1|B<3>,6|C<3>}	O[6a](B[6a]O[6a]N[6]2)(B[6a]O[6a]N[6]){1|B<3>,6|C<3>}	114.4275	0.629	2	114.4275	0.395	2	114.4275	0.395	2	114.4275	0.395	2	112.2173	3.259	15	111.0243	2.004	155
811	933	933	6:SP3_SP2_SP2	B[6a]	O[6a]	O[6a]	3:2:2:2:	4:3:	4:3:	C[6a]-3:O[6a]-2:O[6a]-2:O-2:	B[6a]-4:B[6a]-3:	B[6a]-4:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(ON)	O[6a](B[6a]C[6a]O[6a]O)(B[6a]C[6a]O[6a])	O[6a](B[6a]C[6a]O[6a]O)(B[6a]C[6a]O[6a])	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(ON){1|O<2>,2|H<1>,4|C<3>}	O[6a](B[6a]C[6a]O[6a]O)(B[6a]C[6a]O[6a]){1|B<3>,4|C<3>}	O[6a](B[6a]C[6a]O[6a]O)(B[6a]C[6a]O[6a]){1|B<3>,4|C<3>}	111.1600	0.000	1	111.1600	0.000	1	111.1600	0.000	1	111.1600	0.000	1	112.2173	3.259	15	111.0243	2.004	155
811	933	933	6:SP3_SP2_SP2	B[6a]	O[6a]	O[6a]	3:2:2:3:	4:3:	4:3:	C[6a]-3:O[6a]-2:O[6a]-2:N[6]-3:	B[6a]-4:B[6a]-3:	B[6a]-4:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(N[6]C[6]2)	O[6a](B[6a]C[6a]O[6a]N[6])(B[6a]C[6a]O[6a])	O[6a](B[6a]C[6a]O[6a]N[6])(B[6a]C[6a]O[6a])	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(N[6]C[6]2){1|O<2>,4|H<1>,6|C<3>}	O[6a](B[6a]C[6a]O[6a]N[6])(B[6a]C[6a]O[6a]){1|B<3>,6|C<3>}	O[6a](B[6a]C[6a]O[6a]N[6])(B[6a]C[6a]O[6a]){1|B<3>,6|C<3>}	113.7460	0.000	1	113.7460	0.000	1	113.7460	0.000	1	113.7460	0.000	1	112.2173	3.259	15	111.0243	2.004	155
811	933	933	6:SP3_SP2_SP2	B[6a]	O[6a]	O[6a]	3:2:2:4:	4:3:	4:3:	C[6a]-3:O[6a]-2:O[6a]-2:N-4:	B[6a]-4:B[6a]-3:	B[6a]-4:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(NCHH)	O[6a](B[6a]C[6a]O[6a]N)(B[6a]C[6a]O[6a])	O[6a](B[6a]C[6a]O[6a]N)(B[6a]C[6a]O[6a])	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(NCHH){1|O<2>,2|H<1>,4|C<3>}	O[6a](B[6a]C[6a]O[6a]N)(B[6a]C[6a]O[6a]){1|B<3>,4|C<3>}	O[6a](B[6a]C[6a]O[6a]N)(B[6a]C[6a]O[6a]){1|B<3>,4|C<3>}	113.3107	0.248	3	113.3107	0.061	3	113.3107	0.061	3	113.3107	0.061	3	112.2173	3.259	15	111.0243	2.004	155
811	933	933	6:SP3_SP2_SP2	B[6a]	O[6a]	O[6a]	3:3:2:2:	4:3:	4:3:	N[5]-3:C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-4:B[6a]-3:	B[6a]-4:B[6a]-3:	B[6a](N[5]C[5]N[5])(C[6a]C[6a]2)(O[6a]B[6a])2	O[6a](B[6a]C[6a]O[6a]N[5])(B[6a]C[6a]O[6a])	O[6a](B[6a]C[6a]O[6a]N[5])(B[6a]C[6a]O[6a])	B[6a](N[5]C[5]N[5])(C[6a]C[6a]2)(O[6a]B[6a])2{1|O<2>,4|H<1>,6|C<3>}	O[6a](B[6a]C[6a]O[6a]N[5])(B[6a]C[6a]O[6a]){1|B<3>,1|N<3>,5|C<3>}	O[6a](B[6a]C[6a]O[6a]N[5])(B[6a]C[6a]O[6a]){1|B<3>,1|N<3>,5|C<3>}	114.2630	0.000	1	114.2630	0.000	1	114.2630	0.000	1	114.2630	0.000	1	112.2173	3.259	15	111.0243	2.004	155
811	951	951	0:SP3_SP-NON_SP-NON	B[6a]	H	H	4:4:1:1:	4:	4:	N[6a]-4:N[6a]-4:H-1:H-1:	B[6a]-4:	B[6a]-4:	B[6a](N[6a]B[6a]HH)2(H)2	H(B[6a]N[6a]2H)	H(B[6a]N[6a]2H)	B[6a](N[6a]B[6a]HH)2(H)2{1|N<4>,4|H<1>}	H(B[6a]N[6a]2H)	H(B[6a]N[6a]2H)	111.5665	1.074	2	110.0793	3.334	4	110.0793	3.334	4	110.0793	3.334	4	110.0793	3.334	4	110.0793	3.334	4
811	951	951	0:SP3_SP-NON_SP-NON	B[6a]	H	H	4:4:1:1:	4:	4:	N[6a]-4:N[6a]-4:H-1:H-1:	B[6a]-4:	B[6a]-4:	B[6a](N[6a]B[6a]HH)2(H)2	H(B[6a]N[6a]2H)	H(B[6a]N[6a]2H)	B[6a](N[6a]B[6a]HH)2(H)2{2|N<4>,3|H<1>}	H(B[6a]N[6a]2H)	H(B[6a]N[6a]2H)	108.5920	0.013	2	110.0793	3.334	4	110.0793	3.334	4	110.0793	3.334	4	110.0793	3.334	4	110.0793	3.334	4
813	2	643	0:SP2_SP2_SP2	N[5,6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:B[5]-3:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:N[5,6a]-3:C-4:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(B[5]C[6a]C[5])	B[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]B[5])(CH3)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(B[5]C[6a]C[5]){1|C<4>,1|N<3>,5|C<3>}	B[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]B[5])(CH3){1|B<3>,6|C<3>}	131.3650	0.000	1	131.3650	0.000	1	131.3650	0.000	1	131.3650	0.000	1	131.3650	0.000	1	131.3650	0.000	1
813	2	727	0:SP2_SP2_SP2	N[5,5a]	B[5]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:B[5]-3:C[5a]-3:	N[5,5a]-3:C[6a]-3:N[5]-3:	N[5,5a]-3:C[5a]-3:H-1:	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H)	B[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C[5a](N[5,5a]C[5,5a]B[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	B[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,4|C<3>,4|H<1>}	C[5a](N[5,5a]C[5,5a]B[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	140.7050	0.000	1	140.7050	0.000	1	140.7050	0.000	1	141.3887	0.351	3	141.3887	0.351	3	141.3887	0.351	3
813	2	727	0:SP2_SP2_SP2	N[5,5a]	B[5]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:B[5]-3:C[5a]-3:	N[5,5a]-3:N[5]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:H-1:	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H)	B[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[5a](N[5,5a]C[5,5a]B[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H){1|C<4>,3|C<3>,3|H<1>}	B[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[5a](N[5,5a]C[5,5a]B[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	141.7070	0.000	1	141.7305	0.001	2	141.7305	0.001	2	141.3887	0.351	3	141.3887	0.351	3	141.3887	0.351	3
813	2	727	0:SP2_SP2_SP2	N[5,5a]	B[5]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:B[5]-3:C[5a]-3:	N[5,5a]-3:N[5]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:H-1:	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H)	B[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[5a](N[5,5a]C[5,5a]B[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H){3|H<1>,4|C<3>}	B[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[5a](N[5,5a]C[5,5a]B[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	141.7540	0.000	1	141.7305	0.001	2	141.7305	0.001	2	141.3887	0.351	3	141.3887	0.351	3	141.3887	0.351	3
813	2	727	0:SP3_SP2_SP2	N[5,5a]	B[5]	C[5a]	3:3:3:	3:4:3:	3:2:1:	N[5,5a,6]-3:B[5]-3:C[5a]-3:	N[5,5a]-3:C[5,6]-4:C[6a]-3:	N[5,5a]-3:O[5a]-2:O-1:	N[5,5a](N[5,5a,6]C[5,6,6]B[5a,6])(B[5]C[5,6]C[6a])(C[5a]O[5a]O)	B[5](N[5,5a]N[5,5a,6]C[5a])(C[5,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)	C[5a](N[5,5a]N[5,5a,6]B[5])(O[5a]B[5a,6])(O)	N[5,5a](N[5,5a,6]C[5,6,6]B[5a,6])(B[5]C[5,6]C[6a])(C[5a]O[5a]O){1|C<4>,1|H<1>,5|C<3>}	B[5](N[5,5a]N[5,5a,6]C[5a])(C[5,6]C[5,6,6]C[6]H)(C[6a]C[6a]2){1|B<3>,1|O<1>,1|O<2>,2|C<4>,6|C<3>}	C[5a](N[5,5a]N[5,5a,6]B[5])(O[5a]B[5a,6])(O){2|C<3>,2|C<4>}	134.5100	0.000	1	134.5100	0.000	1	134.5100	0.000	1	134.5100	0.000	1	134.5100	0.000	1	134.5100	0.000	1
813	2	727	5:SP2_SP2_SP2	N[5,5a]	B[5]	C[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:B[5]-3:C[5a]-3:	N[5,5a]-3:C[6a]-3:N[5]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H)	B[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C[5,5a](N[5,5a]C[5a]B[5])(C[5a]C[5a]H)(C[5]N[5]CH)	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	B[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,4|C<3>,4|H<1>}	C[5,5a](N[5,5a]C[5a]B[5])(C[5a]C[5a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,2|H<1>}	109.9150	0.000	1	109.9150	0.000	1	109.9150	0.000	1	109.9930	0.012	2	109.9917	0.006	3	109.9490	0.011	4
813	2	727	5:SP2_SP2_SP2	N[5,5a]	B[5]	C[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:B[5]-3:C[5a]-3:	N[5,5a]-3:N[5]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H)	B[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5a](N[5,5a]C[5a]B[5])(C[5a]C[5a]H)(C[5]N[5]CH)	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H){1|C<4>,3|C<3>,3|H<1>}	B[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[5,5a](N[5,5a]C[5a]B[5])(C[5a]C[5a]H)(C[5]N[5]CH){2|C<3>,2|H<1>}	110.0710	0.000	1	110.0710	0.000	1	110.0710	0.000	1	109.9930	0.012	2	109.9917	0.006	3	109.9490	0.011	4
813	2	727	5:SP2_SP2_SP2	N[5,5a]	B[5]	C[5,5a]	3:3:3:	3:3:3:	3:4:3:	C[5,5a]-3:B[5]-3:C[5a]-3:	N[5,5a]-3:N[5]-3:C[6a]-3:	N[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H)	B[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5a](N[5,5a]C[5a]B[5])(C[5]C[6a]N[5]H)(C[5a]C[5a]H)	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H){3|H<1>,4|C<3>}	B[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[5,5a](N[5,5a]C[5a]B[5])(C[5]C[6a]N[5]H)(C[5a]C[5a]H){2|H<1>,4|C<3>}	109.9890	0.000	1	109.9890	0.000	1	109.9890	0.000	1	109.9890	0.000	1	109.9917	0.006	3	109.9490	0.011	4
813	2	727	5:SP2_SP2_SP2	N[5,6a]	B[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:B[5]-3:	N[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(B[5]C[6a]C[5])	B[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](N[5,6a]C[6a]B[5])(C[6a]N[5a,6a]C)(C[5]C[6a]C[5])	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(B[5]C[6a]C[5]){1|C<4>,1|N<3>,5|C<3>}	B[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](N[5,6a]C[6a]B[5])(C[6a]N[5a,6a]C)(C[5]C[6a]C[5]){1|B<3>,1|C<4>,5|C<3>}	109.8210	0.000	1	109.8210	0.000	1	109.8210	0.000	1	109.8210	0.000	1	109.8210	0.000	1	109.9490	0.011	4
813	2	813	5:SP3_SP2_SP3	N[5,5a]	B[5]	N[5,5a,6]	3:3:3:	3:4:3:	4:3:3:	N[5,5a,6]-3:B[5]-3:C[5a]-3:	N[5,5a]-3:C[5,6]-4:C[6a]-3:	C[5,6,6]-4:B[5a,6]-3:N[5,5a]-3:	N[5,5a](N[5,5a,6]C[5,6,6]B[5a,6])(B[5]C[5,6]C[6a])(C[5a]O[5a]O)	B[5](N[5,5a]N[5,5a,6]C[5a])(C[5,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)	N[5,5a,6](C[5,6,6]C[5,6]C[6,6]C)(B[5a,6]C[6,6a]O[5a])(N[5,5a]C[5a]B[5])	N[5,5a](N[5,5a,6]C[5,6,6]B[5a,6])(B[5]C[5,6]C[6a])(C[5a]O[5a]O){1|C<4>,1|H<1>,5|C<3>}	B[5](N[5,5a]N[5,5a,6]C[5a])(C[5,6]C[5,6,6]C[6]H)(C[6a]C[6a]2){1|B<3>,1|O<1>,1|O<2>,2|C<4>,6|C<3>}	N[5,5a,6](C[5,6,6]C[5,6]C[6,6]C)(B[5a,6]C[6,6a]O[5a])(N[5,5a]C[5a]B[5]){1|H<1>,1|O<1>,5|C<3>}	112.4330	0.000	1	112.4330	0.000	1	112.4330	0.000	1	112.4330	0.000	1	112.4330	0.000	1	112.4330	0.000	1
813	3	3	5:SP2_SP2_SP2	N[5a,6]	B[5a]	B[5a,6]	3:3:3:	3:3:3:	3:3:3:	B[5a,6]-3:B[5a]-3:N[6]-3:	N[5a,6]-3:C[6a]-3:N[5a]-3:	N[5a,6]-3:N[6]-3:N[5a]-3:	N[5a,6](B[5a,6]N[5a]N[6])(B[5a]C[6a]N[5a])(N[6]B[5a,6]C)	B[5a](N[5a,6]B[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]C)	B[5a,6](N[5a,6]B[5a]N[6])(N[6]N[5a,6]C)(N[5a]N[5a]C)	N[5a,6](B[5a,6]N[5a]N[6])(B[5a]C[6a]N[5a])(N[6]B[5a,6]C){2|C<3>,2|N<3>,3|C<4>}	B[5a](N[5a,6]B[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]C){1|B<3>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	B[5a,6](N[5a,6]B[5a]N[6])(N[6]N[5a,6]C)(N[5a]N[5a]C){1|C<3>,2|B<3>,2|C<4>}	108.4990	0.325	2	108.4990	0.106	2	108.4990	0.106	2	108.4990	0.106	2	108.4990	0.106	2	109.3183	1.403	4
813	3	3	5:SP2_SP2_SP2	N[5a]	B[5a]	B[5a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:B[5a]-3:N-3:	C[6a]-3:N[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-3:	N[5a](B[5a]C[6a]N[5a])2(NCH)	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]H)	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]C)	N[5a](B[5a]C[6a]N[5a])2(NCH){1|C<4>,1|H<1>,4|C<3>}	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]H){1|C<4>,2|H<1>,3|C<3>}	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]C){3|C<3>,3|H<1>}	110.9800	0.000	1	110.9800	0.000	1	110.9800	0.000	1	110.9800	0.000	1	110.1375	1.420	2	109.3183	1.403	4
813	3	3	5:SP2_SP2_SP2	N[5a]	B[5a]	B[5a]	3:3:3:	4:3:3:	3:3:3:	B[5a]-3:B[5a]-3:N-3:	N[5a]-4:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-3:	N[5a](B[5a]C[6a]N[5a])2(NCH)	B[5a](N[5a]N[5a]Rh2)(C[6a]C[6a]2)(N[5a]B[5a]N)	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]C)	N[5a](B[5a]C[6a]N[5a])2(NCH){2|Rh<6>,1|C<4>,4|C<3>}	B[5a](N[5a]N[5a]Rh2)(C[6a]C[6a]2)(N[5a]B[5a]N){1|C<4>,2|H<1>,3|C<3>}	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]C){2|Rh<6>,2|H<1>,3|C<3>}	109.2950	0.000	1	109.2950	0.000	1	109.2950	0.000	1	109.2950	0.000	1	110.1375	1.420	2	109.3183	1.403	4
813	3	3	6:SP2_SP2_SP2	N[5,6a]	B[5,6a]	B[5,6a]	3:3:4:	3:3:3:	3:3:3:	B[5,6a]-3:B[5,6a]-3:C[5]-4:	C[5,6a]-3:N[5,6a]-3:N[5,6a]-3:	C[5,6a]-3:N[5,6a]-3:N[5,6a]-3:	N[5,6a](B[5,6a]C[5,6a]N[5,6a])2(C[5]C[5,6a]HH)	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]B[5,6a]C[5])2	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]B[5,6a]C[5])2	N[5,6a](B[5,6a]C[5,6a]N[5,6a])2(C[5]C[5,6a]HH){1|B<3>,2|C<4>,4|C<3>}	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]B[5,6a]C[5])2{1|N<3>,5|C<3>,5|H<1>}	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]B[5,6a]C[5])2{1|N<3>,5|C<3>,5|H<1>}	121.6897	0.068	3	121.6897	0.005	3	121.6897	0.005	3	121.6897	0.005	3	121.6897	0.005	3	121.6897	0.005	3
813	3	474	0:SP2_SP2_SP3	N[5,6a]	B[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:1:	B[5,6a]-3:B[5,6a]-3:C[5]-4:	C[5,6a]-3:N[5,6a]-3:N[5,6a]-3:	C[5,6a]-3:N[5,6a]-3:H-1:H-1:	N[5,6a](B[5,6a]C[5,6a]N[5,6a])2(C[5]C[5,6a]HH)	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]B[5,6a]C[5])2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]B[5,6a]2)(H)2	N[5,6a](B[5,6a]C[5,6a]N[5,6a])2(C[5]C[5,6a]HH){1|B<3>,2|C<4>,4|C<3>}	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]B[5,6a]C[5])2{1|N<3>,5|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]B[5,6a]2)(H)2{1|H<1>,2|N<3>,3|C<3>}	127.4647	0.311	3	127.4647	0.097	3	127.4647	0.097	3	127.4647	0.097	3	127.4647	0.097	3	127.4647	0.097	3
813	3	474	5:SP2_SP2_SP3	N[5,6a]	B[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:1:	B[5,6a]-3:B[5,6a]-3:C[5]-4:	C[5,6a]-3:N[5,6a]-3:N[5,6a]-3:	C[5,6a]-3:N[5,6a]-3:H-1:H-1:	N[5,6a](B[5,6a]C[5,6a]N[5,6a])2(C[5]C[5,6a]HH)	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]B[5,6a]C[5])2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]B[5,6a]2)(H)2	N[5,6a](B[5,6a]C[5,6a]N[5,6a])2(C[5]C[5,6a]HH){1|B<3>,2|C<4>,4|C<3>}	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]B[5,6a]C[5])2{1|N<3>,5|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]B[5,6a]2)(H)2{1|H<1>,2|N<3>,3|C<3>}	110.6280	0.273	3	110.6280	0.074	3	110.6280	0.074	3	110.6280	0.074	3	110.6280	0.074	3	110.6280	0.074	3
813	3	474	6:SP3_SP2_SP3	N[5,5a,6]	B[5a,6]	C[5,6,6]	4:3:3:	3:3:2:	3:3:4:4:	C[5,6,6]-4:B[5a,6]-3:N[5,5a]-3:	N[5,5a,6]-3:C[6,6a]-3:O[5a]-2:	N[5,5a,6]-3:C[6,6]-3:C[5,6]-4:C-4:	N[5,5a,6](C[5,6,6]C[5,6]C[6,6]C)(B[5a,6]C[6,6a]O[5a])(N[5,5a]C[5a]B[5])	B[5a,6](N[5,5a,6]C[5,6,6]N[5,5a])(C[6,6a]C[6,6a]C[6a])(O[5a]C[5a])	C[5,6,6](N[5,5a,6]B[5a,6]N[5,5a])(C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(CH3)	N[5,5a,6](C[5,6,6]C[5,6]C[6,6]C)(B[5a,6]C[6,6a]O[5a])(N[5,5a]C[5a]B[5]){1|H<1>,1|O<1>,5|C<3>}	B[5a,6](N[5,5a,6]C[5,6,6]N[5,5a])(C[6,6a]C[6,6a]C[6a])(O[5a]C[5a]){1|B<3>,1|O<1>,2|C<4>,4|C<3>}	C[5,6,6](N[5,5a,6]B[5a,6]N[5,5a])(C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(CH3){1|O<2>,2|C<4>,5|C<3>}	126.1620	0.000	1	126.1620	0.000	1	126.1620	0.000	1	126.1620	0.000	1	126.1620	0.000	1	126.1620	0.000	1
813	3	490	0:SP2_SP2_SP3	N[5a]	B[5a,6a]	C	3:3:4:	3:3:3:	3:4:4:4:	B[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C-4:C-4:C-4:	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC3)	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C(N[5a]B[5a,6a]C[5a])(CH3)3	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C(N[5a]B[5a,6a]C[5a])(CH3)3	132.5695	0.129	2	131.2200	5.472	3	131.2200	5.472	3	131.2200	5.472	3	131.2200	5.472	3	130.3090	2.098	105
813	3	490	0:SP2_SP2_SP3	N[5a]	B[5a,6a]	C	3:3:4:	3:3:3:	3:4:4:4:	B[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C-4:C-4:C-4:	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC3)	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C(N[5a]B[5a,6a]C[5a])(CH3)3	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC3){1|H<1>,3|C<3>}	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C(N[5a]B[5a,6a]C[5a])(CH3)3	128.5210	0.000	1	131.2200	5.472	3	131.2200	5.472	3	131.2200	5.472	3	131.2200	5.472	3	130.3090	2.098	105
813	3	490	0:SP2_SP2_SP3	N[5a]	B[5a]	C	3:3:4:	3:3:1:	3:3:1:1:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:	N[5a]-3:P-3:H-1:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP)	B[5a](N[5a]C[5a,6a]C)2(H)	C(N[5a]C[5a,6a]B[5a])(PCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	B[5a](N[5a]C[5a,6a]C)2(H){2|C<3>}	C(N[5a]C[5a,6a]B[5a])(PCC)(H)2	128.7510	0.290	2	128.7510	0.084	2	129.0218	0.664	6	129.0218	0.664	6	130.2822	2.026	102	130.3090	2.098	105
813	3	490	0:SP2_SP2_SP3	N[5a]	B[5a]	C	3:3:4:	3:3:1:	3:3:1:1:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:	N[5a]-3:P-3:H-1:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP)	B[5a](N[5a]C[5a,6a]C)2(H)	C(N[5a]C[5a,6a]B[5a])(PC[6]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	B[5a](N[5a]C[5a,6a]C)2(H){2|C<3>}	C(N[5a]C[5a,6a]B[5a])(PC[6]2)(H)2	129.9900	0.313	2	129.9900	0.098	2	129.0218	0.664	6	129.0218	0.664	6	130.2822	2.026	102	130.3090	2.098	105
813	3	490	0:SP2_SP2_SP3	N[5a]	B[5a]	C	3:3:4:	3:3:1:	3:3:1:1:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:	N[5a]-3:P-3:H-1:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP)	B[5a](N[5a]C[5a,6a]C)2(H)	C(N[5a]C[5a,6a]B[5a])(PC[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	B[5a](N[5a]C[5a,6a]C)2(H){2|C<3>}	C(N[5a]C[5a,6a]B[5a])(PC[6a]2)(H)2	128.3245	0.378	2	128.3245	0.143	2	129.0218	0.664	6	129.0218	0.664	6	130.2822	2.026	102	130.3090	2.098	105
813	3	490	0:SP2_SP2_SP3	N[5a]	B[5a]	C	3:3:4:	3:3:1:	3:4:1:1:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:	N[5a]-3:P-4:H-1:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP)	B[5a](N[5a]C[5a,6a]C)2(H)	C(N[5a]C[5a,6a]B[5a])(PBCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	B[5a](N[5a]C[5a,6a]C)2(H){2|C<3>}	C(N[5a]C[5a,6a]B[5a])(PBCC)(H)2	128.0775	1.204	2	128.0775	1.450	2	128.0775	1.450	2	128.0775	1.450	2	130.2822	2.026	102	130.3090	2.098	105
813	3	490	0:SP2_SP2_SP3	N[5a]	B[5a]	C	3:3:4:	3:3:1:	3:4:4:1:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:N[5a]-3:Br-1:	N[5a]-3:C-4:C-4:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(CCCH)	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(Br)	C(N[5a]C[5a,6a]B[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(CCCH){1|H<1>,3|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(Br){4|C<3>}	C(N[5a]C[5a,6a]B[5a])(CH3)2(H)	126.3140	0.000	1	126.3140	0.000	1	126.3140	0.000	1	126.3140	0.000	1	130.2822	2.026	102	130.3090	2.098	105
813	3	490	0:SP2_SP2_SP3	N[5a]	B[5a]	C	3:3:4:	3:3:2:	3:1:1:1:	C[5a,6a]-3:B[5a]-3:C-4:	B[5a]-3:N[5a]-3:O[5a]-2:	N[5a]-3:H-1:H-1:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a])(CH3)	B[5a](B[5a]N[5a]O[5a])(N[5a]C[5a,6a]C)(O[5a]C[5a,6a])	C(N[5a]C[5a,6a]B[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a])(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	B[5a](B[5a]N[5a]O[5a])(N[5a]C[5a,6a]C)(O[5a]C[5a,6a]){1|C<4>,4|C<3>}	C(N[5a]C[5a,6a]B[5a])(H)3	130.4300	0.000	1	130.4300	0.000	1	130.4300	0.000	1	130.4300	0.000	1	130.2822	2.026	102	130.3090	2.098	105
813	3	490	0:SP2_SP2_SP3	N[5a]	B[5a]	C	3:3:4:	3:3:2:	3:4:1:1:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:N[5a]-3:C-2:	N[5a]-3:C-4:H-1:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(CCHH)	B[5a](N[5a]C[5a,6a]C)2(CC)	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	B[5a](N[5a]C[5a,6a]C)2(CC){2|C<3>}	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	129.0851	0.633	18	129.0851	0.401	18	129.0851	0.401	18	129.0851	0.401	18	130.2822	2.026	102	130.3090	2.098	105
813	3	490	0:SP2_SP2_SP3	N[5a]	B[5a]	C	3:3:4:	3:3:3:	3:1:1:1:	B[5a]-3:N[5a]-3:C-4:	C[6a]-3:N[5a]-3:N[5a]-3:	N[5a]-3:H-1:H-1:H-1:	N[5a](B[5a]C[6a]N[5a])(N[5a]B[5a]H)(CH3)	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]C)	C(N[5a]B[5a]N[5a])(H)3	N[5a](B[5a]C[6a]N[5a])(N[5a]B[5a]H)(CH3){1|N<3>,3|C<3>}	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]C){3|C<3>,3|H<1>}	C(N[5a]B[5a]N[5a])(H)3	133.7360	0.000	1	133.7360	0.000	1	133.7360	0.000	1	130.2994	3.947	5	130.2822	2.026	102	130.3090	2.098	105
813	3	490	0:SP2_SP2_SP3	N[5a]	B[5a]	C	3:3:4:	3:3:3:	3:1:1:1:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:N[5a]-3:B[5a]-3:	N[5a]-3:H-1:H-1:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(CH3)	B[5a](N[5a]C[5a,6a]C)2(B[5a]O[5a]2)	C(N[5a]C[5a,6a]B[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	B[5a](N[5a]C[5a,6a]C)2(B[5a]O[5a]2){4|C<3>}	C(N[5a]C[5a,6a]B[5a])(H)3	129.5320	0.526	2	129.5320	0.277	2	129.5320	0.277	2	130.2994	3.947	5	130.2822	2.026	102	130.3090	2.098	105
813	3	490	0:SP2_SP2_SP3	N[5a]	B[5a]	C	3:3:4:	3:3:3:	3:1:1:1:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:N[5a]-3:C-3:	N[5a]-3:H-1:H-1:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(CH3)	B[5a](N[5a]C[5a,6a]C)2(CC[6a]C)	C(N[5a]C[5a,6a]B[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	B[5a](N[5a]C[5a,6a]C)2(CC[6a]C){2|C<3>}	C(N[5a]C[5a,6a]B[5a])(H)3	129.3485	0.845	2	129.3485	0.714	2	129.3485	0.714	2	130.2994	3.947	5	130.2822	2.026	102	130.3090	2.098	105
813	3	490	0:SP2_SP2_SP3	N[5a]	B[5a]	C	3:3:4:	3:3:3:	3:4:1:1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a]-3:N[5a]-3:N[5a]-3:	N[5a]-3:C-4:H-1:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]N[5a])(CCHH)	B[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)2	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]N[5a])(CCHH){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	B[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)2{1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	130.3998	0.565	22	130.3998	0.319	22	130.3998	0.319	22	130.3227	0.249	53	130.2822	2.026	102	130.3090	2.098	105
813	3	490	0:SP2_SP2_SP3	N[5a]	B[5a]	C	3:3:4:	3:3:3:	3:4:1:1:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C-4:H-1:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(CCHH)	B[5a](N[5a]C[5a,6a]C)2(C[6a]C[6a]2)	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	B[5a](N[5a]C[5a,6a]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	130.2679	0.449	31	130.2679	0.201	31	130.2679	0.201	31	130.3227	0.249	53	130.2822	2.026	102	130.3090	2.098	105
813	3	490	0:SP2_SP2_SP3	N[5a]	B[5a]	C	3:3:4:	3:3:3:	3:4:4:4:	B[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:N[5a]-3:	N[5a]-3:C-4:C-4:C-4:	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC3)	B[5a](C[6a]C[6a]2)(N[5a]C[5a]C)2	C(N[5a]B[5a]C[5a])(CH3)3	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	B[5a](C[6a]C[6a]2)(N[5a]C[5a]C)2{2|C<3>,4|H<1>}	C(N[5a]B[5a]C[5a])(CH3)3	131.3103	0.784	6	131.3103	0.614	6	131.3103	0.614	6	131.7278	1.213	9	130.2822	2.026	102	130.3090	2.098	105
813	3	490	0:SP2_SP2_SP3	N[5a]	B[5a]	C	3:3:4:	3:3:3:	3:4:4:4:	B[5a]-3:C[5a]-3:C-4:	N[5a,6a]-3:B[5a]-3:N[5a]-3:	N[5a]-3:C-4:C-4:C-4:	N[5a](B[5a]N[5a,6a]B[5a])(C[5a]C[5a,6a]H)(CC3)	B[5a](N[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]N[5a])(N[5a]C[5a]C)	C(N[5a]B[5a]C[5a])(CH3)3	N[5a](B[5a]N[5a,6a]B[5a])(C[5a]C[5a,6a]H)(CC3){2|C<3>,2|N<3>}	B[5a](N[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]N[5a])(N[5a]C[5a]C){1|C<4>,2|H<1>,5|C<3>}	C(N[5a]B[5a]C[5a])(CH3)3	131.5560	0.000	1	131.5560	0.000	1	131.5560	0.000	1	131.7278	1.213	9	130.2822	2.026	102	130.3090	2.098	105
813	3	490	0:SP2_SP2_SP3	N[5a]	B[5a]	C	3:3:4:	3:3:3:	3:4:4:4:	B[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:C-3:	N[5a]-3:C-4:C-4:C-4:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(CC3)	B[5a](N[5a]C[5a]C)2(CSiN)	C(N[5a]B[5a]C[5a])(CH3)3	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>}	B[5a](N[5a]C[5a]C)2(CSiN){2|H<1>}	C(N[5a]B[5a]C[5a])(CH3)3	133.0660	1.407	2	133.0660	1.980	2	133.0660	1.980	2	131.7278	1.213	9	130.2822	2.026	102	130.3090	2.098	105
813	3	490	0:SP2_SP2_SP3	N[5a]	B[5a]	C	3:3:4:	5:3:3:	3:4:1:1:	B[5a]-3:C[5a,6a]-3:C-4:	C[3x3,4,3x5,14x6]-5:N[5a]-3:N[5a]-3:	N[5a]-3:C-4:H-1:H-1:	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	B[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[5a]C[5a,6a]C)2	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,2|C<3>,4|B<6>}	B[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[5a]C[5a,6a]C)2{1|C<5>,2|C<3>,4|H<1>,5|B<6>}	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	133.8560	0.276	4	133.8560	0.076	4	133.8560	0.076	4	133.8560	0.076	4	130.2822	2.026	102	130.3090	2.098	105
813	3	490	0:SP2_SP2_SP3	N[5a]	B[5a]	C	3:3:4:	6:3:3:	3:4:1:1:	B[5a]-3:C[5a,6a]-3:C-4:	C[5x3,5x5,20x6]-6:N[5a]-3:N[5a]-3:	N[5a]-3:C-4:H-1:H-1:	N[5a](B[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	B[5a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(N[5a]C[5a,6a]C)2	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	N[5a](B[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,2|C<3>,5|B<6>}	B[5a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(N[5a]C[5a,6a]C)2{1|C<6>,2|C<3>,4|B<6>,5|H<1>}	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	133.5915	0.508	2	133.5915	0.258	2	133.5915	0.258	2	133.5915	0.258	2	130.2822	2.026	102	130.3090	2.098	105
813	3	490	0:SP2_SP2_SP3	N[5a]	B[5a]	C	3:4:4:	3:3:3:	3:1:1:1:	B[5a]-3:N[5a]-4:C-4:	C[6a]-3:N[5a]-3:N[5a]-3:	N[5a]-3:H-1:H-1:H-1:	N[5a](B[5a]C[6a]N[5a])(N[5a]B[5a]Rh2)(CH3)	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]C)	C(N[5a]B[5a]N[5a])(H)3	N[5a](B[5a]C[6a]N[5a])(N[5a]B[5a]Rh2)(CH3){1|N<3>,3|C<3>}	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]C){2|Rh<6>,2|H<1>,3|C<3>}	C(N[5a]B[5a]N[5a])(H)3	131.4730	0.000	1	131.4730	0.000	1	131.4730	0.000	1	131.4730	0.000	1	130.2822	2.026	102	130.3090	2.098	105
813	3	490	0:SP3_SP2_SP3	N[5a]	B[5a,6]	C	3:3:4:	3:3:3:	3:1:1:1:	B[5a,6]-3:N[5a]-3:C-4:	N[5a,6]-3:N[6]-3:N[5a]-3:	N[5a]-3:H-1:H-1:H-1:	N[5a](B[5a,6]N[5a,6]N[6])(N[5a]B[5a]C)(CH3)	B[5a,6](N[5a,6]B[5a]N[6])(N[6]N[5a,6]C)(N[5a]N[5a]C)	C(N[5a]B[5a,6]N[5a])(H)3	N[5a](B[5a,6]N[5a,6]N[6])(N[5a]B[5a]C)(CH3){1|C<3>,1|C<4>,2|N<3>}	B[5a,6](N[5a,6]B[5a]N[6])(N[6]N[5a,6]C)(N[5a]N[5a]C){1|C<3>,2|B<3>,2|C<4>}	C(N[5a]B[5a,6]N[5a])(H)3	125.8220	0.065	2	125.8220	0.004	2	125.8220	0.004	2	125.8220	0.004	2	125.8220	0.004	2	126.5397	0.864	4
813	3	490	0:SP3_SP2_SP3	N[5a]	B[5a]	C	3:3:4:	3:3:3:	3:1:1:1:	B[5a]-3:N[5a]-3:C-4:	N[5a,6]-3:C[6a]-3:N[5a]-3:	N[5a]-3:H-1:H-1:H-1:	N[5a](B[5a]N[5a,6]C[6a])(N[5a]B[5a,6]C)(CH3)	B[5a](N[5a,6]B[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]C)	C(N[5a]B[5a]N[5a])(H)3	N[5a](B[5a]N[5a,6]C[6a])(N[5a]B[5a,6]C)(CH3){2|C<3>,2|N<3>}	B[5a](N[5a,6]B[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]C){1|B<3>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5a]B[5a]N[5a])(H)3	127.2575	0.726	2	127.2575	0.527	2	127.2575	0.527	2	127.2575	0.527	2	127.2575	0.527	2	126.5397	0.864	4
813	3	519	5:SP2_SP2_SP2	N[5a]	B[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:	B[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](B[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	B[5a,6a](N[5a,6a]B[6,6a]C[5a])(N[6a]B[6,6a]C[6a])(N[5a]C[6a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]B[5a,6a]C[6a])	N[5a](B[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|B<3>,1|B<4>,2|H<1>,4|C<3>}	B[5a,6a](N[5a,6a]B[6,6a]C[5a])(N[6a]B[6,6a]C[6a])(N[5a]C[6a]N[5a]){4|N<3>,5|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]B[5a,6a]C[6a]){1|B<4>,1|N<3>,4|C<3>}	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	110.5736	0.913	10
813	3	519	5:SP2_SP2_SP2	N[5a]	B[5a]	N[5a]	3:2:1:	3:3:3:	3:3:	B[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](B[5a]C[5a]N[5a])(N[5a]C[5a])(H)	B[5a](C[5a]C[5a]2)(N[5a]C[5a]H)(N[5a]N[5a]H)	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]H)	N[5a](B[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	B[5a](C[5a]C[5a]2)(N[5a]C[5a]H)(N[5a]N[5a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]H){1|H<1>,3|C<3>}	111.8760	0.000	1	111.8760	0.000	1	111.8760	0.000	1	111.8760	0.000	1	110.7199	0.787	9	110.5736	0.913	10
813	3	519	5:SP2_SP2_SP2	N[5a]	B[5a]	N[5a]	3:3:2:	3:3:1:	3:3:	B[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:Cl-1:	N[5a]-3:C[5a]-3:	N[5a](B[5a]N[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	B[5a](N[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(Cl)	N[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]C)	N[5a](B[5a]N[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(Cl){1|C<4>,4|C<3>}	N[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]C){1|Cl<1>,3|C<3>}	109.0360	0.000	1	109.0360	0.000	1	109.0360	0.000	1	109.0360	0.000	1	110.7199	0.787	9	110.5736	0.913	10
813	3	519	5:SP2_SP2_SP2	N[5a]	B[5a]	N[5a]	3:3:2:	3:3:2:	3:3:	B[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:O-2:	C[5a]-3:N[5a]-3:	N[5a](B[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	B[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]H)(OB[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](B[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	B[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]H)(OB[5a]){3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	110.0170	0.000	1	110.0170	0.000	1	110.0170	0.000	1	110.0170	0.000	1	110.7199	0.787	9	110.5736	0.913	10
813	3	519	5:SP2_SP2_SP2	N[5a]	B[5a]	N[5a]	3:3:2:	3:3:3:	3:3:	B[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](B[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	B[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](B[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	B[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|F<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	110.3345	0.134	2	110.7974	0.222	5	110.7974	0.222	5	110.9250	0.275	6	110.7199	0.787	9	110.5736	0.913	10
813	3	519	5:SP2_SP2_SP2	N[5a]	B[5a]	N[5a]	3:3:2:	3:3:3:	3:3:	B[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](B[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	B[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](B[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	B[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	111.1060	0.278	3	110.7974	0.222	5	110.7974	0.222	5	110.9250	0.275	6	110.7199	0.787	9	110.5736	0.913	10
813	3	519	5:SP2_SP2_SP2	N[5a]	B[5a]	N[5a]	3:3:2:	3:3:3:	3:3:	B[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:	N[5a](B[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	B[5a](N[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](B[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	B[5a](N[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){2|F<1>,7|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a]){1|N<2>,5|C<3>}	111.5630	0.000	1	111.5630	0.000	1	111.5630	0.000	1	110.9250	0.275	6	110.7199	0.787	9	110.5736	0.913	10
813	3	643	0:SP2_SP2_SP2	N[5a,6a]	B[5a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a,6a]-3:N[5a,6a]-3:Cl-1:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl)(C[6a]C[6a]H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(Cl)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	B[5a](N[5a,6a]C[5a,6a]C[6a])2(Cl){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	131.5755	0.121	2	131.5755	0.015	2	131.5755	0.015	2	131.5755	0.015	2	131.5861	0.287	10	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a,6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a,6a]-3:B[5a]-3:N[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]H)	B[5a](N[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]N[5a])(N[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	B[5a](N[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]N[5a])(N[5a]C[5a]C){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	130.9090	0.000	1	130.9090	0.000	1	130.9090	0.000	1	131.2562	0.091	5	131.5861	0.287	10	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a,6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[6a])(C[6a]C[6a]H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	131.3430	0.268	4	131.3430	0.072	4	131.3430	0.072	4	131.2562	0.091	5	131.5861	0.287	10	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a,6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[5,6a]-3:C-4:	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[5a]C[6a])(C[6a]C[5,6a]C)	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[5,6a]N[5,6a]C[5])(CH3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[5a]C[6a])(C[6a]C[5,6a]C){1|C<4>,1|N<3>,5|C<3>}	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[5,6a]N[5,6a]C[5])(CH3){1|B<3>,6|C<3>}	132.2090	0.000	1	132.2090	0.000	1	132.2090	0.000	1	132.2090	0.000	1	131.5861	0.287	10	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a,6a]	B[5a]	C[6a]	3:3:3:	6:3:3:	3:3:1:	B[5a]-3:C[5a,6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:N[5a,6a]-3:N[5a,6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](B[5a]B[5x3,5x5,20x6]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	B[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5a,6a]C[5a,6a]C[6a])2	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	N[5a,6a](B[5a]B[5x3,5x5,20x6]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	B[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5a,6a]C[5a,6a]C[6a])2{1|C<4>,1|C<6>,4|B<6>,4|C<3>,6|H<1>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|B<6>,1|H<1>,1|N<3>,2|C<3>}	132.1100	0.847	2	132.1100	0.718	2	132.1100	0.718	2	132.1100	0.718	2	131.5861	0.287	10	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a,6]	C[6a]	3:3:3:	3:3:4:	3:3:3:	B[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:N[5a]-3:Si[6]-4:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a,6]N[5a,6]Si[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]C[6a])(Si[6]C[6]HN)	C[6a](N[5a]B[5a,6]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a,6]N[5a,6]Si[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	B[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]C[6a])(Si[6]C[6]HN){2|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]B[5a,6]C[5a])(C[6a]C[6a]C)2{1|Si<4>,1|N<3>,2|C<3>,3|H<1>}	131.2980	0.000	1	131.2980	0.000	1	131.2980	0.000	1	131.2980	0.000	1	131.2980	0.000	1	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	B[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	B[5a,6a](N[5a,6a]B[6,6a]C[5a])(N[6a]B[6,6a]C[6a])(N[5a]C[6a]N[5a])	C[6a](N[5a]B[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](B[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|B<3>,1|B<4>,2|H<1>,4|C<3>}	B[5a,6a](N[5a,6a]B[6,6a]C[5a])(N[6a]B[6,6a]C[6a])(N[5a]C[6a]N[5a]){4|N<3>,5|C<3>}	C[6a](N[5a]B[5a,6a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	134.7730	0.000	1	134.7730	0.000	1	134.7730	0.000	1	134.7730	0.000	1	134.7730	0.000	1	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:2:	3:3:1:	3:3:3:	B[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	B[5a](N[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(Cl)	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2	N[5a](B[5a]N[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(Cl){1|C<4>,4|C<3>}	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	134.6260	0.000	1	134.6260	0.000	1	134.6260	0.000	1	134.6260	0.000	1	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:2:	3:3:2:	3:3:3:	B[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:O-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	B[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]H)(OB[5a])	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2	N[5a](B[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	B[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]H)(OB[5a]){3|C<3>}	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	132.2870	0.000	1	132.2870	0.000	1	132.2870	0.000	1	132.2870	0.000	1	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	B[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	B[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2	N[5a](B[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	B[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|F<1>,5|C<3>}	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	133.6580	0.136	2	133.8608	0.396	5	133.8608	0.396	5	133.6847	0.503	6	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	B[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	B[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2	N[5a](B[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	B[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,5|C<3>}	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	133.9960	0.845	3	133.8608	0.396	5	133.8608	0.396	5	133.6847	0.503	6	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	B[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	B[5a](N[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2	N[5a](B[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	B[5a](N[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){2|F<1>,7|C<3>}	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	132.8040	0.000	1	132.8040	0.000	1	132.8040	0.000	1	133.6847	0.503	6	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:O[5a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]O[5a])(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]O[5a])(C[6a]C[6a]2){2|C<4>,7|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|F<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2{1|O<2>,2|H<1>,4|C<3>}	126.5190	0.000	1	126.5190	0.000	1	126.5190	0.000	1	126.5190	0.000	1	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Br-1:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]Br)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(Br)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]Br)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(Br){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	130.1265	0.333	4	130.1265	0.111	4	130.1265	0.111	4	129.8561	3.877	42	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]Cl)(C[5a]C[5a]C)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(Cl)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]Cl)(C[5a]C[5a]C)(C[6a]C[6a]2){3|C<3>,3|C<4>}	B[5a](N[5a]C[5a]C[6a])2(Cl){2|C<4>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	127.5210	0.887	2	127.5210	0.786	2	128.4556	6.958	5	129.8561	3.877	42	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]Cl)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(Cl)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]Cl)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(Cl){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	130.9800	1.563	2	130.9800	2.442	2	128.4556	6.958	5	129.8561	3.877	42	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]Cl)(C[5a]N[5a]C)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(Cl)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]Cl)(C[5a]N[5a]C)(C[6a]C[6a]2){2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(Cl){1|C<4>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	125.2760	0.000	1	125.2760	0.000	1	128.4556	6.958	5	129.8561	3.877	42	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:I-1:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]I)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(I)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]I)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(I){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|I<1>,1|N<3>,2|C<3>,3|H<1>}	130.0425	0.636	4	130.0425	0.404	4	130.0425	0.404	4	129.8561	3.877	42	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Br-1:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br)(C[6a]C[6a]2)	B[5a](N[5a]C[5,5a]C[6a])2(Br)	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br)(C[6a]C[6a]2){2|C<4>,6|C<3>}	B[5a](N[5a]C[5,5a]C[6a])2(Br){6|C<3>}	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2{1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	130.2310	1.514	4	130.2310	2.291	4	130.2310	2.291	4	129.8561	3.877	42	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:I-1:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]I)(C[6a]C[6a]2)	B[5a](N[5a]C[5,5a]C[6a])2(I)	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]I)(C[6a]C[6a]2){2|C<4>,6|C<3>}	B[5a](N[5a]C[5,5a]C[6a])2(I){6|C<3>}	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2{1|I<1>,1|N<3>,2|H<1>,3|C<3>}	131.2687	0.886	6	131.2687	0.786	6	131.2687	0.786	6	129.8561	3.877	42	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:S-1:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]S)(C[6a]C[6a]2)	B[5a](N[5a]C[5,5a]C[6a])2(S)	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]S)(C[6a]C[6a]2){2|C<4>,6|C<3>}	B[5a](N[5a]C[5,5a]C[6a])2(S){6|C<3>}	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2{1|N<3>,1|S<1>,2|H<1>,3|C<3>}	129.4940	0.259	2	129.4940	0.067	2	129.4940	0.067	2	129.8561	3.877	42	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:I-1:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(B[5a]N[5a]I)(C[6a]C[6a]2)	B[5a](N[5a]C[5a,5a]C[6a])2(I)	C[6a](N[5a]C[5a,5a]B[5a])(C[6a]C[6a]C)2	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(B[5a]N[5a]I)(C[6a]C[6a]2){2|C<4>,6|C<3>}	B[5a](N[5a]C[5a,5a]C[6a])2(I){6|C<3>}	C[6a](N[5a]C[5a,5a]B[5a])(C[6a]C[6a]C)2{1|I<1>,1|N<3>,2|H<1>,3|C<3>}	133.3655	2.108	2	133.3655	4.443	2	133.3655	4.443	2	129.8561	3.877	42	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Br-1:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(Br)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(Br){4|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	129.0200	0.000	1	129.0200	0.000	1	129.6805	4.481	11	129.8561	3.877	42	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Br-1:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])2(Br)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])2(Br){6|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2{1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	130.5962	1.444	8	130.5962	2.084	8	129.6805	4.481	11	129.8561	3.877	42	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Br-1:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])2(Br)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])2(Br){6|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	126.3480	0.928	2	126.3480	0.861	2	129.6805	4.481	11	129.8561	3.877	42	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:H-1:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])2(H)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])2(H){6|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	127.5655	0.402	4	127.5655	0.162	4	127.5655	0.162	4	129.8561	3.877	42	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Ge-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(GeGe)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(GeGe){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Ge<2>,1|N<3>,2|C<3>,3|H<1>}	130.2685	1.862	2	130.2685	3.466	2	130.2685	3.466	2	129.6302	1.721	24	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(NC)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(NC){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	129.6620	0.495	2	129.6620	0.245	2	130.5960	1.369	4	129.6302	1.721	24	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(NSi[4,5])	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(NSi[4,5]){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	131.5300	0.611	2	131.5300	0.373	2	130.5960	1.369	4	129.6302	1.721	24	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(OC)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(OC){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	129.5685	2.067	2	129.5685	4.272	2	129.5165	1.543	4	129.6302	1.721	24	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(OSb)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(OSb){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	129.4645	0.589	2	129.4645	0.347	2	129.5165	1.543	4	129.6302	1.721	24	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:P-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(PC)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(PC){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,1|P<2>,2|C<3>,3|H<1>}	129.7297	1.515	6	129.7297	2.295	6	129.3490	2.192	8	129.6302	1.721	24	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:P-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(PP)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(PP){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,1|P<2>,2|C<3>,3|H<1>}	128.2070	0.628	2	128.2070	0.394	2	129.3490	2.192	8	129.6302	1.721	24	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Si-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(SiN)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(SiN){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Si<2>,1|N<3>,2|C<3>,3|H<1>}	128.5415	2.023	2	128.5415	4.093	2	128.5415	4.093	2	129.6302	1.721	24	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]O)(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])2(OB[5a])	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]O)(C[6a]C[6a]2){3|H<1>,5|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])2(OB[5a]){6|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	129.5658	0.329	4	129.5658	0.109	4	129.5658	0.109	4	129.6302	1.721	24	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:B[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]N[6a])	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(B[5a]N[5a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]N[6a]){2|N<3>,3|H<1>,4|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(B[5a]N[5a]2){1|H<1>,1|N<2>,6|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|B<3>,1|N<3>,2|H<1>,3|C<3>}	127.3375	0.298	4	127.3375	0.089	4	127.3375	0.089	4	127.3375	0.089	4	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[4]-3:N[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]N[4])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[4]Si[4,5]C[4])(N[5a]C[5a]C[6a])2	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]N[4])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Si<4>,1|H<1>,2|C<4>,4|C<3>}	B[5a](N[4]Si[4,5]C[4])(N[5a]C[5a]C[6a])2{1|O<1>,1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	134.0600	0.782	2	134.0600	0.612	2	134.0600	0.612	2	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5]-3:N[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]N[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5]Si[5,5]N[5])(N[5a]C[5a]C[6a])2	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]N[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Si<4>,1|H<1>,1|N<2>,2|C<4>,3|C<3>}	B[5a](N[5]Si[5,5]N[5])(N[5a]C[5a]C[6a])2{1|N<2>,2|H<1>,3|N<3>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	133.8955	1.091	4	133.8955	1.190	4	133.8955	1.190	4	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(CC[6a]C)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(CC[6a]C){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	132.4472	1.289	6	132.4472	1.661	6	130.9310	2.627	40	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(CC[6a]O)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(CC[6a]O){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	129.3625	0.281	6	129.3625	0.079	6	130.9310	2.627	40	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(CFeO)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(CFeO){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	129.4630	1.635	2	129.4630	2.673	2	130.9310	2.627	40	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(CNP)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(CNP){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	129.6527	1.364	4	129.6527	1.861	4	130.9310	2.627	40	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(COO)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(COO){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	131.7568	1.525	10	131.7568	2.326	10	130.9310	2.627	40	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(COP)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(COP){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	131.7272	1.073	6	131.7272	1.151	6	130.9310	2.627	40	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(CReO)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(CReO){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	129.9480	1.247	4	129.9480	1.555	4	130.9310	2.627	40	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(CScO)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(CScO){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	130.5610	0.038	2	130.5610	0.001	2	130.9310	2.627	40	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	B[5a](N[5a]C[5a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,4|C<3>}	127.1263	1.103	6	127.1263	1.216	6	128.6290	4.547	13	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	B[5a](N[5a]C[5a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	131.2625	0.617	4	131.2625	0.381	4	128.6290	4.547	13	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|N<2>,2|C<4>,5|C<3>}	B[5a](N[5a]C[5a]C[6a])2(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	128.6390	1.921	2	128.6390	3.688	2	128.6290	4.547	13	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2	N[5a](B[5a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	B[5a](N[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){2|F<1>,7|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	127.0910	0.000	1	127.0910	0.000	1	128.6290	4.547	13	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Ga-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(GaCC)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(GaCC){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Ga<3>,1|N<3>,2|C<3>,3|H<1>}	128.2465	0.310	2	128.2465	0.096	2	128.7615	0.642	4	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Ga-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(GaFe2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(GaFe2){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Ga<3>,1|N<3>,2|C<3>,3|H<1>}	129.2765	0.878	2	129.2765	0.770	2	128.7615	0.642	4	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Ge-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(GeB[5a]Ge)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(GeB[5a]Ge){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Ge<3>,1|N<3>,2|C<3>,3|H<1>}	132.4712	1.882	4	132.4712	3.541	4	131.9146	3.267	8	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Ge-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(GeC[5]Cl)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(GeC[5]Cl){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Ge<3>,1|N<3>,2|C<3>,3|H<1>}	132.6090	1.581	2	132.6090	2.500	2	131.9146	3.267	8	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Ge-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(GeC[5]Ge)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(GeC[5]Ge){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Ge<3>,1|N<3>,2|C<3>,3|H<1>}	130.1070	1.004	2	130.1070	1.008	2	131.9146	3.267	8	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:In-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]In)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(InB[5a]Br)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]In)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(InB[5a]Br){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|In<3>,1|N<3>,2|C<3>,3|H<1>}	130.4170	1.443	4	130.4170	2.081	4	130.4170	2.081	4	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(NCH)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(NCH){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	129.5425	2.528	4	129.5425	6.389	4	131.5743	5.498	24	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(NC[6a]C)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(NC[6a]C){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	130.9805	1.173	2	130.9805	1.376	2	131.5743	5.498	24	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(NGeSi)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(NGeSi){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	129.7860	0.426	2	129.7860	0.181	2	131.5743	5.498	24	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(NSi2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(NSi2){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	133.2324	2.004	10	133.2324	4.015	10	131.5743	5.498	24	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(NSiSn)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(NSiSn){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	132.3200	1.080	2	132.3200	1.167	2	131.5743	5.498	24	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(NSiZn)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(NSiZn){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	130.3655	0.950	2	130.3655	0.902	2	131.5743	5.498	24	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(NSi[5]H)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(NSi[5]H){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	130.1920	2.926	2	130.1920	8.562	2	131.5743	5.498	24	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N[6]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(N[6]Ge[6]C[6])	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Ge<2>,1|H<1>,3|C<3>,3|C<4>}	B[5a](N[5a]C[5a]C[6a])2(N[6]Ge[6]C[6]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	131.7580	1.454	3	130.6329	2.781	7	130.6329	2.781	7	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N[6]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(N[6]Ge[6]C[6])	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Ge<4>,1|H<1>,3|C<3>,3|C<4>}	B[5a](N[5a]C[5a]C[6a])2(N[6]Ge[6]C[6]){1|C<4>,1|N<3>,2|O<2>,4|C<3>,4|H<1>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	129.7890	1.392	4	130.6329	2.781	7	130.6329	2.781	7	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(OLiSn)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(OLiSn){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,1|O<3>,2|C<3>,3|H<1>}	128.9920	1.431	2	128.9920	2.048	2	128.9920	2.048	2	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:P-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(PHH)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(PHH){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,1|P<3>,2|C<3>,3|H<1>}	130.4225	0.534	2	130.4225	0.285	2	130.1705	1.032	4	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:P-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(PNN)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(PNN){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,1|P<3>,2|C<3>,3|H<1>}	129.9185	1.599	2	129.9185	2.556	2	130.1705	1.032	4	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:P[5]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]P[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(P[5]N[5]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]P[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(P[5]N[5]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,1|P<3>,2|C<3>,3|H<1>}	131.7800	0.199	2	133.3358	6.190	4	133.3358	6.190	4	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:P[5]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]P[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(P[5]N[5]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]P[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(P[5]N[5]2){2|H<1>,8|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,1|P<3>,2|C<3>,3|H<1>}	134.8915	2.975	2	133.3358	6.190	4	133.3358	6.190	4	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N[6]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]N[6])(C[6a]C[6a]2)	B[5a](N[5a]C[5,5a]C[6a])2(N[6]C[6]2)	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]N[6])(C[6a]C[6a]2){2|C<4>,8|C<3>}	B[5a](N[5a]C[5,5a]C[6a])2(N[6]C[6]2){2|H<1>,8|C<3>}	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	133.0362	1.742	6	132.2755	2.759	14	132.2755	2.759	14	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N[6]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]N[6])(C[6a]C[6a]2)	B[5a](N[5a]C[5,5a]C[6a])2(N[6]C[6]2)	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]N[6])(C[6a]C[6a]2){3|C<4>,7|C<3>}	B[5a](N[5a]C[5,5a]C[6a])2(N[6]C[6]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	131.7050	1.445	8	132.2755	2.759	14	132.2755	2.759	14	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	B[5a](N[5a]C[5a,5a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]B[5a])(C[6a]C[6a]C)2	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){1|B<3>,1|N<3>,2|C<4>,6|C<3>}	B[5a](N[5a]C[5a,5a]C[6a])2(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	C[6a](N[5a]C[5a,5a]B[5a])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	129.1178	1.222	6	129.1178	1.493	6	129.1178	1.493	6	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]N[5a])(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])2(C[5a]C[5a]S[5a])	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]F)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]N[5a])(C[6a]C[6a]2){1|H<1>,1|S<2>,2|F<1>,6|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])2(C[5a]C[5a]S[5a]){1|H<1>,8|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]F)2{1|N<3>,2|F<1>,4|C<3>}	128.4075	1.272	4	128.4075	1.618	4	128.4075	1.618	4	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|F<1>,8|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	124.8433	0.840	3	124.8433	0.705	3	127.2248	5.415	12	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|Br<1>,1|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,4|C<3>}	129.8930	0.000	1	129.8930	0.000	1	127.2248	5.415	12	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,4|C<3>}	131.2010	0.223	2	131.2010	0.050	2	127.2248	5.415	12	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]F)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,2|F<1>,7|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]F)2{1|N<2>,1|N<3>,2|F<1>,3|C<3>}	126.6590	0.304	4	126.6453	0.067	6	127.2248	5.415	12	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]F)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,2|F<1>,7|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]F)2{1|N<3>,2|F<1>,4|C<3>}	126.6180	0.232	2	126.6453	0.067	6	127.2248	5.415	12	130.6333	5.851	152	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(CCHH)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	130.3655	1.200	2	130.3655	1.440	2	129.8149	1.162	10	130.6345	5.705	24	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(CC[6a]HH)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	128.7805	0.767	4	128.7805	0.589	4	129.8149	1.162	10	130.6345	5.705	24	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(CH3)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(CH3){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	130.5740	0.139	4	130.5740	0.019	4	129.8149	1.162	10	130.6345	5.705	24	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Ga-4:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(GaO[5]Br2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(GaO[5]Br2){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Ga<4>,1|N<3>,2|C<3>,3|H<1>}	129.2560	0.113	2	129.2560	0.013	2	129.3045	1.344	6	130.6345	5.705	24	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Ga-4:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(GaO[5]CC)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(GaO[5]CC){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Ga<4>,1|N<3>,2|C<3>,3|H<1>}	128.9100	2.404	2	128.9100	5.780	2	129.3045	1.344	6	130.6345	5.705	24	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Ga-4:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(GaO[5]Cl2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(GaO[5]Cl2){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Ga<4>,1|N<3>,2|C<3>,3|H<1>}	129.7475	0.470	2	129.7475	0.221	2	129.3045	1.344	6	130.6345	5.705	24	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Ge-4:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(GeGeHH)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(GeGeHH){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Ge<4>,1|N<3>,2|C<3>,3|H<1>}	129.2800	0.798	2	129.2800	0.636	2	129.2800	0.636	2	130.6345	5.705	24	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Si-4:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(SiHHN)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(SiHHN){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Si<4>,1|N<3>,2|C<3>,3|H<1>}	132.3810	0.112	2	132.3810	0.012	2	134.6807	7.742	4	130.6345	5.705	24	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Si-4:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(SiIIN)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(SiIIN){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Si<4>,1|N<3>,2|C<3>,3|H<1>}	136.9805	1.435	2	136.9805	2.058	2	134.6807	7.742	4	130.6345	5.705	24	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])2(CC3)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])2(CC3){6|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	131.9850	0.187	2	131.9850	0.035	2	131.9850	0.035	2	130.6345	5.705	24	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	5:3:3:	3:3:3:	B[5a]-3:C[5a,6a]-3:C[6a]-3:	C[3x3,4,3x5,14x6]-5:N[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	B[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[5a]C[5a,6a]C[6a])2	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,4|B<6>,5|C<3>}	B[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[5a]C[5a,6a]C[6a])2{1|C<5>,4|H<1>,5|B<6>,6|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|C<5>,1|N<3>,2|H<1>,3|C<3>}	134.5511	1.537	12	134.5511	2.362	12	134.5511	2.362	12	134.5511	2.362	12	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	6:3:3:	3:3:3:	B[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:N[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	B[5a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5a]C[5a,6a]C[6a])2	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	N[5a](B[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<6>,3|H<1>,4|B<6>,5|C<3>}	B[5a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5a]C[5a,6a]C[6a])2{5|B<6>,5|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|C<6>,1|N<3>,2|H<1>,3|C<3>}	132.9855	1.020	2	132.9855	1.041	2	132.9855	1.041	2	132.9855	1.041	2	130.6396	6.055	269	130.6903	5.897	281
813	3	643	0:SP3_SP2_SP2	N[5a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N[6]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(N[6]Ge[6]C[6])	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Ge<2>,1|H<1>,3|C<3>,3|C<4>}	B[5a](N[5a]C[5a]C[6a])2(N[6]Ge[6]C[6]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	126.7650	0.000	1	126.7650	0.000	1	126.7650	0.000	1	126.7650	0.000	1	126.7650	0.000	1	126.7650	0.000	1
813	3	643	6:SP2_SP2_SP2	N[5a,6]	B[5a,6]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:B[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-3:Si[6]-4:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(B[5a,6]N[5a]Si[6])(C[5a]C[5a]H)	B[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]C[6a])(Si[6]C[6]HN)	C[6,6a](N[5a,6]B[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	N[5a,6](C[6,6a]C[6,6a]C[6a])(B[5a,6]N[5a]Si[6])(C[5a]C[5a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	B[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]C[6a])(Si[6]C[6]HN){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](N[5a,6]B[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|Si<4>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	127.1250	0.000	1	127.1250	0.000	1	127.1250	0.000	1	127.1250	0.000	1	127.1250	0.000	1	123.3913	3.468	6
813	3	643	6:SP2_SP2_SP2	N[5a,6a]	B[5a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.9760	0.272	2	122.7800	0.152	3	122.6446	0.154	5	122.6446	0.154	5	122.6446	0.154	5	123.3913	3.468	6
813	3	643	6:SP2_SP2_SP2	N[5a,6a]	B[5a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.3880	0.000	1	122.7800	0.152	3	122.6446	0.154	5	122.6446	0.154	5	122.6446	0.154	5	123.3913	3.468	6
813	3	643	6:SP2_SP2_SP2	N[5a,6a]	B[5a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.7350	0.000	1	122.7350	0.000	1	122.6446	0.154	5	122.6446	0.154	5	122.6446	0.154	5	123.3913	3.468	6
813	3	643	6:SP2_SP2_SP2	N[5a,6a]	B[5a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,4|H<1>}	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.1480	0.000	1	122.1480	0.000	1	122.6446	0.154	5	122.6446	0.154	5	122.6446	0.154	5	123.3913	3.468	6
813	3	727	0:SP2_SP2_SP2	N[5a,5a]	B[5a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,5a]-3:B[5a]-3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]B[5a]C[5a])(B[5a]C[5a]C[6a])	B[5a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,5a]N[5a,5a]B[5a])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]B[5a]C[5a])(B[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	B[5a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|B<3>,2|H<1>,7|C<3>}	C[5a,6a](N[5a,5a]N[5a,5a]B[5a])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	142.5200	0.000	1	142.5200	0.000	1	142.5200	0.000	1	142.5200	0.000	1	142.5200	0.000	1	141.6110	1.653	2
813	3	727	0:SP2_SP2_SP2	N[5a,5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:B[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,5a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	N[5a,5a](N[5a,5a]C[5a,6a]B[5a])(B[5a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2)	C[5a](N[5a,5a]N[5a,5a]B[5a])(C[5a]B[5a]C[6a])(C[6a]C[6a]2)	N[5a,5a](N[5a,5a]C[5a,6a]B[5a])(B[5a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){8|C<3>}	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2){1|B<3>,3|H<1>,6|C<3>}	C[5a](N[5a,5a]N[5a,5a]B[5a])(C[5a]B[5a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	140.7020	0.000	1	140.7020	0.000	1	140.7020	0.000	1	140.7020	0.000	1	140.7020	0.000	1	141.6110	1.653	2
813	3	727	5:SP2_SP2_SP2	N[5a,6]	B[5a,6]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:B[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-3:Si[6]-4:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(B[5a,6]N[5a]Si[6])(C[5a]C[5a]H)	B[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]C[6a])(Si[6]C[6]HN)	C[5a](N[5a,6]B[5a,6]C[6,6a])(C[5a]N[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(B[5a,6]N[5a]Si[6])(C[5a]C[5a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	B[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]C[6a])(Si[6]C[6]HN){2|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a,6]B[5a,6]C[6,6a])(C[5a]N[5a]H)(H){1|Si<4>,3|C<3>}	108.4430	0.000	1	108.4430	0.000	1	108.4430	0.000	1	108.4430	0.000	1	108.4430	0.000	1	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a,6a]	B[5a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,4|H<1>}	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	108.6580	0.000	1	108.6580	0.000	1	108.6580	0.000	1	108.6580	0.000	1	108.9578	0.038	5	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a,6a]	B[5a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|C<4>,1|H<1>,2|C<3>}	108.9140	0.000	1	108.9140	0.000	1	108.9140	0.000	1	108.9140	0.000	1	108.9578	0.038	5	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a,6a]	B[5a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	109.0750	0.148	2	109.0750	0.022	2	109.0723	0.011	3	109.0723	0.011	3	108.9578	0.038	5	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a,6a]	B[5a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN){2|C<3>,2|H<1>}	109.0670	0.000	1	109.0670	0.000	1	109.0723	0.011	3	109.0723	0.011	3	108.9578	0.038	5	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a,6a]	B[5a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a,6a]-3:N[5a,6a]-3:Cl-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl)(C[6a]C[6a]H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(Cl)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	B[5a](N[5a,6a]C[5a,6a]C[6a])2(Cl){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	108.7460	0.028	2	108.7460	0.001	2	108.7460	0.001	2	108.7460	0.001	2	109.7196	0.362	10	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a,6a]	B[5a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a,6a]-3:B[5a]-3:N[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]H)	B[5a](N[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]N[5a])(N[5a]C[5a]C)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	B[5a](N[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]N[5a])(N[5a]C[5a]C){1|C<4>,2|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	109.7230	0.000	1	109.7230	0.000	1	109.7230	0.000	1	109.8920	0.152	6	109.7196	0.362	10	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a,6a]	B[5a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[5a]C[6a])(C[6a]C[5,6a]C)	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5,6a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[5a]C[6a])(C[6a]C[5,6a]C){1|C<4>,1|N<3>,5|C<3>}	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5,6a]C){1|B<3>,1|C<4>,5|C<3>}	109.1990	0.000	1	109.1990	0.000	1	109.1990	0.000	1	109.8920	0.152	6	109.7196	0.362	10	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a,6a]	B[5a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[6a])(C[6a]C[6a]H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	110.1075	0.148	4	110.1075	0.022	4	110.1075	0.022	4	109.8920	0.152	6	109.7196	0.362	10	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a,6a]	B[5a]	C[5a,6a]	3:3:3:	6:3:3:	3:3:3:	B[5a]-3:C[5a,6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:N[5a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](B[5a]B[5x3,5x5,20x6]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	B[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](B[5a]B[5x3,5x5,20x6]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	B[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5a,6a]C[5a,6a]C[6a])2{1|C<4>,1|C<6>,4|B<6>,4|C<3>,6|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|B<6>,3|C<3>,3|H<1>}	110.1760	0.089	2	110.1760	0.008	2	110.1760	0.008	2	110.1760	0.008	2	109.7196	0.362	10	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a,6]	C[5a]	3:3:3:	3:3:4:	3:3:1:	B[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:N[5a]-3:Si[6]-4:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a,6]N[5a,6]Si[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]C[6a])(Si[6]C[6]HN)	C[5a](N[5a]B[5a,6]C[6a])(C[5a]N[5a,6]H)(H)	N[5a](B[5a,6]N[5a,6]Si[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	B[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]C[6a])(Si[6]C[6]HN){2|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]B[5a,6]C[6a])(C[5a]N[5a,6]H)(H){1|Si<4>,3|C<3>}	108.4350	0.000	1	108.4350	0.000	1	108.4350	0.000	1	108.4350	0.000	1	108.4350	0.000	1	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a,6a]	C[5a]	3:3:1:	3:3:3:	3:3:1:	B[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]H)(H)	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]H)(H){2|C<3>}	108.3420	0.000	1	108.3420	0.000	1	107.8185	0.548	2	107.8185	0.548	2	107.5876	0.192	5	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a,6a]	C[5a]	3:3:1:	3:3:3:	3:3:1:	B[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a,6a]H)(N[5a]B[5a,6a]H)(H)	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]B[5a,6a]H)(H){2|C<3>}	107.2950	0.000	1	107.2950	0.000	1	107.8185	0.548	2	107.8185	0.548	2	107.5876	0.192	5	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a,6a]	C[5a]	3:3:4:	3:3:3:	3:3:1:	B[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC3)	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]C)(H)	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]C)(H){2|C<3>}	107.4015	0.189	2	107.4337	0.021	3	107.4337	0.021	3	107.4337	0.021	3	107.5876	0.192	5	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a,6a]	C[5a]	3:3:4:	3:3:3:	3:3:1:	B[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC3)	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]C)(H)	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC3){1|H<1>,3|C<3>}	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]C)(H){2|C<3>}	107.4980	0.000	1	107.4337	0.021	3	107.4337	0.021	3	107.4337	0.021	3	107.5876	0.192	5	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Br-1:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br)(C[6a]C[6a]2)	B[5a](N[5a]C[5,5a]C[6a])2(Br)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br)(C[6a]C[6a]2){2|C<4>,6|C<3>}	B[5a](N[5a]C[5,5a]C[6a])2(Br){6|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|Br<1>,1|H<1>,6|C<3>}	105.7448	0.235	4	105.7448	0.055	4	105.7448	0.055	4	106.4055	1.047	12	106.4966	0.558	26	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:I-1:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]I)(C[6a]C[6a]2)	B[5a](N[5a]C[5,5a]C[6a])2(I)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]I)(C[6a]C[6a]2){2|C<4>,6|C<3>}	B[5a](N[5a]C[5,5a]C[6a])2(I){6|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|I<1>,6|C<3>}	106.1718	0.468	6	106.1718	0.219	6	106.1718	0.219	6	106.4055	1.047	12	106.4966	0.558	26	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:S-1:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]S)(C[6a]C[6a]2)	B[5a](N[5a]C[5,5a]C[6a])2(S)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]S)(C[6a]C[6a]2){2|C<4>,6|C<3>}	B[5a](N[5a]C[5,5a]C[6a])2(S){6|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|S<1>,6|C<3>}	108.4280	0.013	2	108.4280	0.000	2	108.4280	0.000	2	106.4055	1.047	12	106.4966	0.558	26	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N[6]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]N[6])(C[6a]C[6a]2)	B[5a](N[5a]C[5,5a]C[6a])2(N[6]C[6]2)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]N[6])(C[6a]C[6a]2){2|C<4>,8|C<3>}	B[5a](N[5a]C[5,5a]C[6a])2(N[6]C[6]2){2|H<1>,8|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	106.6443	0.527	6	106.5747	0.173	14	106.5747	0.173	14	106.5747	0.173	14	106.4966	0.558	26	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N[6]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]N[6])(C[6a]C[6a]2)	B[5a](N[5a]C[5,5a]C[6a])2(N[6]C[6]2)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]N[6])(C[6a]C[6a]2){3|C<4>,7|C<3>}	B[5a](N[5a]C[5,5a]C[6a])2(N[6]C[6]2){1|C<4>,2|H<1>,8|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	106.5225	0.339	8	106.5747	0.173	14	106.5747	0.173	14	106.5747	0.173	14	106.4966	0.558	26	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:I-1:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(B[5a]N[5a]I)(C[6a]C[6a]2)	B[5a](N[5a]C[5a,5a]C[6a])2(I)	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(B[5a]N[5a]I)(C[6a]C[6a]2){2|C<4>,6|C<3>}	B[5a](N[5a]C[5a,5a]C[6a])2(I){6|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|I<1>,6|C<3>}	106.3990	0.297	2	106.3990	0.088	2	106.3990	0.088	2	106.3990	0.088	2	106.3016	0.131	8	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[5a,5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	B[5a](N[5a]C[5a,5a]C[6a])2(C[6a]C[6a]2)	C[5a,5a](N[5a]B[5a]C[6a])2(C[5a,5a]N[5a]2)	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){1|B<3>,1|N<3>,2|C<4>,6|C<3>}	B[5a](N[5a]C[5a,5a]C[6a])2(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	C[5a,5a](N[5a]B[5a]C[6a])2(C[5a,5a]N[5a]2){8|C<3>}	106.2692	0.401	6	106.2692	0.161	6	106.2692	0.161	6	106.2692	0.161	6	106.3016	0.131	8	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:B[5a]-3:H-1:	N[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(B[5a]C[6a]N[5a])(H)	B[5a](N[5a]C[5a,6]H)2(C[6a]C[6a]2)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]B[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(B[5a]C[6a]N[5a])(H){1|H<1>,1|O<1>,4|C<3>}	B[5a](N[5a]C[5a,6]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]B[5a]H){1|H<1>,1|O<1>,3|C<3>}	107.9605	0.381	2	107.9605	0.145	2	107.9605	0.145	2	107.9605	0.145	2	107.9605	0.145	2	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:3:	C[5a,6a]-3:B[5a]-3:H-1:	B[5a]-3:N[5a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a])(H)	B[5a](B[5a]N[5a]O[5a])(N[5a]C[5a,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	B[5a](B[5a]N[5a]O[5a])(N[5a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){1|B<3>,1|C<3>,2|H<1>}	108.0260	0.000	1	108.0260	0.000	1	108.0260	0.000	1	108.0260	0.000	1	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:H-1:	N[5a]-3:N[5a]-3:B[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(H)	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(B[5a]N[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(H){1|H<1>,2|N<3>,3|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(B[5a]N[5a]2){1|H<1>,1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){1|B<3>,2|C<3>,2|H<1>}	110.6135	0.416	4	110.6135	0.173	4	110.3180	0.225	8	109.8932	0.293	21	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:H-1:	N[5a]-3:N[5a]-3:B[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(H)	B[5a](N[5a]C[5a,6a]H)2(B[5a]N[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(H){2|C<3>,2|H<1>,2|N<3>}	B[5a](N[5a]C[5a,6a]H)2(B[5a]N[5a]2){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){1|B<3>,1|C<3>,3|H<1>}	110.0225	0.346	4	110.0225	0.120	4	110.3180	0.225	8	109.8932	0.293	21	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:H-1:	N[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H)	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|Br<1>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|H<1>,3|C<3>}	110.0450	0.000	1	110.0450	0.000	1	109.6318	0.162	13	109.8932	0.293	21	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:H-1:	N[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H)	B[5a](N[5a]C[5a,6a]H)2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H){2|H<1>,4|C<3>}	B[5a](N[5a]C[5a,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|C<3>,3|H<1>}	109.5046	0.441	7	109.5973	0.160	12	109.6318	0.162	13	109.8932	0.293	21	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:H-1:	N[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H)	B[5a](N[5a]C[5a,6a]H)2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H){2|H<1>,4|C<3>}	B[5a](N[5a]C[5a,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|H<1>,3|C<3>}	109.7272	0.335	5	109.5973	0.160	12	109.6318	0.162	13	109.8932	0.293	21	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:1:	4:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:H-1:	N[5a]-4:N[5a]-3:B[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(H)	B[5a](N[5a]C[5a,6a]Li2)(N[5a]C[5a,6a]H)(B[5a]N[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(H){2|Li<4>,1|H<1>,1|N<3>,1|N<4>,2|C<3>}	B[5a](N[5a]C[5a,6a]Li2)(N[5a]C[5a,6a]H)(B[5a]N[5a]2){2|Li<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|Li<4>,1|B<3>,1|C<3>,2|H<1>}	108.3130	0.000	1	108.3130	0.000	1	108.3130	0.000	1	108.3130	0.000	1	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]O[5a])(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]O[5a])(C[6a]C[6a]2){2|C<4>,7|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|F<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]){1|H<1>,7|C<3>}	106.0090	0.000	1	106.0090	0.000	1	106.0090	0.000	1	106.0090	0.000	1	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6]-3:	N[5a]-3:N[5a]-3:Br-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6]C[6]2)	B[5a](N[5a]C[5a,6a]C[6])2(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6]C[6]2){1|H<1>,2|C<2>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a,6a]C[6])2(Br){6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	107.0460	0.000	1	107.0460	0.000	1	107.0460	0.000	1	107.5038	0.429	15	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Br-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(Br){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	107.3320	0.000	1	107.3320	0.000	1	107.1413	0.029	10	107.5038	0.429	15	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Br-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])2(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])2(Br){6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[5a,6a]C){1|Br<1>,1|C<4>,1|N<3>,4|C<3>}	107.2435	0.063	2	107.2435	0.004	2	107.1413	0.029	10	107.5038	0.429	15	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Br-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])2(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])2(Br){6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	107.0849	0.173	7	107.0849	0.030	7	107.1413	0.029	10	107.5038	0.429	15	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])2(H){6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	108.5245	0.139	4	108.5245	0.019	4	108.5245	0.019	4	107.5038	0.429	15	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]O)(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])2(OB[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]O)(C[6a]C[6a]2){3|H<1>,5|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])2(OB[5a]){6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	107.7993	0.285	4	107.7993	0.081	4	107.7993	0.081	4	107.7993	0.081	4	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:B[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]N[6a])	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(B[5a]N[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]N[6a]){2|N<3>,3|H<1>,4|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(B[5a]N[5a]2){1|H<1>,1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|B<3>,1|N<2>,2|C<3>,3|H<1>}	108.9073	0.331	4	108.9073	0.110	4	108.9073	0.110	4	108.9796	0.282	19	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]N[5a])(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])2(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]N[5a])(C[6a]C[6a]2){1|H<1>,1|S<2>,2|F<1>,6|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])2(C[5a]C[5a]S[5a]){1|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	109.3920	0.205	4	109.3920	0.042	4	109.3920	0.042	4	108.9796	0.282	19	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|F<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]){1|H<1>,8|C<3>}	108.0450	0.373	3	108.0450	0.139	3	108.0450	0.139	3	108.9796	0.282	19	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|Br<1>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	108.8070	0.000	1	108.8070	0.000	1	109.1601	0.107	8	108.9796	0.282	19	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	108.8725	0.149	2	109.2106	0.102	7	109.1601	0.107	8	108.9796	0.282	19	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,2|F<1>,7|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	109.3458	0.258	5	109.2106	0.102	7	109.1601	0.107	8	108.9796	0.282	19	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])2(CC3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])2(CC3){6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	109.2280	0.016	2	109.2280	0.000	2	109.2280	0.000	2	109.2280	0.000	2	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:3:	5:3:3:	3:3:3:	B[5a]-3:C[5a,6a]-3:C[6a]-3:	C[3x3,4,3x5,14x6]-5:N[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	B[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[5a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,4|B<6>,5|C<3>}	B[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[5a]C[5a,6a]C[6a])2{1|C<5>,4|H<1>,5|B<6>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|C<5>,1|H<1>,4|C<3>}	108.0888	0.327	6	108.1172	0.067	12	108.1172	0.067	12	108.1172	0.067	12	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:3:	5:3:3:	3:3:3:	B[5a]-3:C[5a,6a]-3:C[6a]-3:	C[3x3,4,3x5,14x6]-5:N[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	B[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[5a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,4|B<6>,5|C<3>}	B[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[5a]C[5a,6a]C[6a])2{1|C<5>,4|H<1>,5|B<6>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<5>,2|H<1>,4|C<3>}	108.1455	0.194	6	108.1172	0.067	12	108.1172	0.067	12	108.1172	0.067	12	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:3:	6:3:3:	3:3:3:	B[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:N[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](B[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	B[5a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](B[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<6>,3|H<1>,4|B<6>,5|C<3>}	B[5a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5a]C[5a,6a]C[6a])2{5|B<6>,5|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|C<6>,1|H<1>,4|C<3>}	107.8000	0.057	2	107.8000	0.003	2	107.8000	0.003	2	107.8000	0.003	2	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:N[5a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(CCCH)	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(CCCH){1|H<1>,3|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(Br){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Br<1>,2|C<3>,2|H<1>}	107.5440	0.000	1	107.5440	0.000	1	107.5440	0.000	1	108.1292	0.090	9	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP)	B[5a](N[5a]C[5a,6a]C)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	B[5a](N[5a]C[5a,6a]C)2(H){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,3|H<1>}	108.2024	0.218	8	108.2024	0.048	8	108.2024	0.048	8	108.1292	0.090	9	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:4:	3:3:2:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	B[5a]-3:N[5a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a])(CH3)	B[5a](B[5a]N[5a]O[5a])(N[5a]C[5a,6a]C)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a])(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	B[5a](B[5a]N[5a]O[5a])(N[5a]C[5a,6a]C)(O[5a]C[5a,6a]){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|B<3>,1|C<3>,2|H<1>}	108.2280	0.000	1	108.2280	0.000	1	108.2280	0.000	1	108.0969	0.045	18	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:4:	3:3:2:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:N[5a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(CCHH)	B[5a](N[5a]C[5a,6a]C)2(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	B[5a](N[5a]C[5a,6a]C)2(CC){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	108.0892	0.216	17	108.0892	0.047	17	108.0892	0.047	17	108.0969	0.045	18	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a]-3:N[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]N[5a])(CCHH)	B[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]N[5a])(CCHH){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	B[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)2{1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<4>,2|C<3>,2|H<1>}	108.2211	0.270	24	108.2211	0.073	24	108.2211	0.073	24	108.2401	0.069	59	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:N[5a]-3:B[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(CH3)	B[5a](N[5a]C[5a,6a]C)2(B[5a]O[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	B[5a](N[5a]C[5a,6a]C)2(B[5a]O[5a]2){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	108.9645	0.101	2	108.9645	0.010	2	108.9645	0.010	2	108.2401	0.069	59	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(CH3)	B[5a](N[5a]C[5a,6a]C)2(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	B[5a](N[5a]C[5a,6a]C)2(CC[6a]C){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<4>,2|C<3>,2|H<1>}	108.1280	0.247	2	108.1280	0.061	2	108.1280	0.061	2	108.2401	0.069	59	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C-4:	N[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(CCHH)	B[5a](N[5a]C[5a,6a]C)2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	B[5a](N[5a]C[5a,6a]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<4>,2|C<3>,2|H<1>}	108.2153	0.195	31	108.2153	0.038	31	108.2153	0.038	31	108.2401	0.069	59	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:4:	5:3:3:	3:3:3:	B[5a]-3:C[5a,6a]-3:C-4:	C[3x3,4,3x5,14x6]-5:N[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	B[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[5a]C[5a,6a]C)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,2|C<3>,4|B<6>}	B[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[5a]C[5a,6a]C)2{1|C<5>,2|C<3>,4|H<1>,5|B<6>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,1|C<5>,2|H<1>}	107.7395	0.143	4	107.7395	0.021	4	107.7395	0.021	4	107.7395	0.021	4	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a,6a]	3:3:4:	6:3:3:	3:3:3:	B[5a]-3:C[5a,6a]-3:C-4:	C[5x3,5x5,20x6]-6:N[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](B[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	B[5a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(N[5a]C[5a,6a]C)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](B[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,2|C<3>,5|B<6>}	B[5a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(N[5a]C[5a,6a]C)2{1|C<6>,2|C<3>,4|B<6>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,1|C<6>,2|H<1>}	107.9390	0.178	2	107.9390	0.032	2	107.9390	0.032	2	107.9390	0.032	2	108.3991	0.622	170	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:1:	3:3:2:	3:3:2:	B[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:O[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](B[5a]C[5a]O[5a])(C[5a]C[6a]N[5a])(H)	B[5a](C[5a]C[5a]2)(N[5a]C[5a]H)(O[5a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]O[5a])	N[5a](B[5a]C[5a]O[5a])(C[5a]C[6a]N[5a])(H){4|C<3>}	B[5a](C[5a]C[5a]2)(N[5a]C[5a]H)(O[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]O[5a]){2|H<1>,3|C<3>}	106.0740	0.000	1	106.0740	0.000	1	106.0740	0.000	1	106.2920	0.095	2	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:B[5a]-3:H-1:	N[5a]-3:N[5a]-3:O-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(B[5a]N[5a]O)(H)	B[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]H)(OB[5a])	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(B[5a]N[5a]O)(H){3|C<3>}	B[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]H)(OB[5a]){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	106.5100	0.000	1	106.5100	0.000	1	106.5100	0.000	1	106.2920	0.095	2	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:1:	3:3:3:	3:3:2:	B[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](B[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(H)	B[5a](C[5a]C[5a]2)(N[5a]C[5a]H)(N[5a]N[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]N[5a])	N[5a](B[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	B[5a](C[5a]C[5a]2)(N[5a]C[5a]H)(N[5a]N[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]N[5a]){3|C<3>,3|H<1>}	107.9430	0.000	1	107.9430	0.000	1	107.9430	0.000	1	107.6737	0.149	6	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:1:	3:3:3:	3:3:2:	B[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](B[5a]C[6a]N[5a])(C[5a]C[6a]N[5a])(H)	B[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]H)(N[5a]N[5a])	N[5a](B[5a]C[6a]N[5a])(C[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	B[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|F<1>,5|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	107.2525	0.128	2	107.6198	0.165	5	107.6198	0.165	5	107.6737	0.149	6	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:1:	3:3:3:	3:3:2:	B[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](B[5a]C[6a]N[5a])(C[5a]C[6a]N[5a])(H)	B[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]H)(N[5a]N[5a])	N[5a](B[5a]C[6a]N[5a])(C[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	B[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,5|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	107.8647	0.310	3	107.6198	0.165	5	107.6198	0.165	5	107.6737	0.149	6	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Cl-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](B[5a]N[5a]Cl)(C[5a]N[5a]C)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(Cl)	C[5a](N[5a]B[5a]C[6a])(N[5a]N[5a])(CC3)	N[5a](B[5a]N[5a]Cl)(C[5a]N[5a]C)(C[6a]C[6a]2){2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(Cl){1|C<4>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(N[5a]N[5a])(CC3){1|Cl<1>,3|C<3>}	105.5040	0.000	1	105.5040	0.000	1	105.5040	0.000	1	105.5040	0.000	1	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Br-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Br)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(Br)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Br)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(Br){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Br<1>,3|C<3>}	106.6610	0.161	4	106.6610	0.026	4	106.6610	0.026	4	107.0437	0.157	10	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Cl-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Cl)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(Cl)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Cl)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(Cl){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Cl<1>,3|C<3>}	107.3025	0.442	2	107.3025	0.195	2	107.3025	0.195	2	107.0437	0.157	10	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:I-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]I)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(I)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]I)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(I){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|I<1>,3|C<3>}	107.2970	0.233	4	107.2970	0.054	4	107.2970	0.054	4	107.0437	0.157	10	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Cl-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](B[5a]N[5a]Cl)(C[5a]C[5a]C)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(Cl)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](B[5a]N[5a]Cl)(C[5a]C[5a]C)(C[6a]C[6a]2){3|C<3>,3|C<4>}	B[5a](N[5a]C[5a]C[6a])2(Cl){2|C<4>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]C)(CH3){1|Cl<1>,3|C<3>}	107.4715	0.036	2	107.4715	0.001	2	107.4715	0.001	2	107.4715	0.001	2	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Ge-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(GeGe)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(GeGe){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ge<2>,3|C<3>}	109.2625	1.066	2	109.2625	1.136	2	109.2625	1.136	2	108.3924	0.597	20	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(NC)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(NC){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<2>,3|C<3>}	107.4385	0.049	2	107.4385	0.002	2	108.4395	1.540	4	108.3924	0.597	20	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(NSi[4,5])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(NSi[4,5]){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<2>,3|C<3>}	109.4405	0.780	2	109.4405	0.608	2	108.4395	1.540	4	108.3924	0.597	20	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(OC)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(OC){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|O<2>,3|C<3>}	107.4960	0.178	2	107.4960	0.032	2	107.9528	0.322	4	108.3924	0.597	20	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(OSb)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(OSb){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|O<2>,3|C<3>}	108.4095	0.317	2	108.4095	0.101	2	107.9528	0.322	4	108.3924	0.597	20	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:P-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(PC)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(PC){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|P<2>,3|C<3>}	108.2063	0.255	6	108.2063	0.065	6	108.1668	0.057	8	108.3924	0.597	20	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:P-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(PP)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(PP){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|P<2>,3|C<3>}	108.0480	0.182	2	108.0480	0.033	2	108.1668	0.057	8	108.3924	0.597	20	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Si-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(SiN)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(SiN){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Si<2>,3|C<3>}	109.2100	0.434	2	109.2100	0.188	2	109.2100	0.188	2	108.3924	0.597	20	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[4]-3:N[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]N[4])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[4]Si[4,5]C[4])(N[5a]C[5a]C[6a])2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N[4])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Si<4>,1|H<1>,2|C<4>,4|C<3>}	B[5a](N[4]Si[4,5]C[4])(N[5a]C[5a]C[6a])2{1|O<1>,1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	107.3885	0.387	2	107.3885	0.150	2	107.3885	0.150	2	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5]-3:N[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]N[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5]Si[5,5]N[5])(N[5a]C[5a]C[6a])2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Si<4>,1|H<1>,1|N<2>,2|C<4>,3|C<3>}	B[5a](N[5]Si[5,5]N[5])(N[5a]C[5a]C[6a])2{1|N<2>,2|H<1>,3|N<3>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	107.6800	0.340	4	107.6800	0.115	4	107.6800	0.115	4	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(CC[6a]C)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(CC[6a]C){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){4|C<3>}	108.1992	0.402	6	108.1992	0.162	6	108.0137	0.134	39	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(CC[6a]O)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(CC[6a]O){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){4|C<3>}	107.9430	0.310	6	107.9430	0.096	6	108.0137	0.134	39	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(CFeO)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(CFeO){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){4|C<3>}	107.6065	0.368	2	107.6065	0.136	2	108.0137	0.134	39	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(CNP)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(CNP){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){4|C<3>}	108.0590	0.300	4	108.0590	0.090	4	108.0137	0.134	39	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(COO)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(COO){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){4|C<3>}	107.7872	0.192	10	107.7872	0.037	10	108.0137	0.134	39	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(COP)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(COP){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){4|C<3>}	108.3108	0.341	6	108.3108	0.116	6	108.0137	0.134	39	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(CReO)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(CReO){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){4|C<3>}	108.0805	0.526	4	108.0805	0.277	4	108.0137	0.134	39	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(CScO)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(CScO){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){4|C<3>}	108.1720	0.000	1	108.1720	0.000	1	108.0137	0.134	39	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	B[5a](N[5a]C[5a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){4|C<3>}	108.4600	0.024	4	108.4600	0.001	4	108.4600	0.001	4	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Ga-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(GaCC)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(GaCC){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ga<3>,3|C<3>}	109.4285	0.026	2	109.4285	0.001	2	108.7135	0.684	4	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Ga-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(GaFe2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(GaFe2){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ga<3>,3|C<3>}	107.9985	0.087	2	107.9985	0.008	2	108.7135	0.684	4	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Ge-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(GeB[5a]Ge)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(GeB[5a]Ge){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ge<3>,3|C<3>}	108.8257	0.374	4	108.8257	0.140	4	108.5344	0.450	8	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Ge-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(GeC[5]Cl)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(GeC[5]Cl){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ge<3>,3|C<3>}	108.8155	0.641	2	108.8155	0.411	2	108.5344	0.450	8	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Ge-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(GeC[5]Ge)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(GeC[5]Ge){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ge<3>,3|C<3>}	107.6705	0.573	2	107.6705	0.329	2	108.5344	0.450	8	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:In-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]In)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(InB[5a]Br)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]In)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(InB[5a]Br){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|In<3>,3|C<3>}	108.6915	0.085	4	108.6915	0.007	4	108.6915	0.007	4	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(NCH)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(NCH){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	107.8932	0.399	4	107.8932	0.159	4	108.4986	0.317	24	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(NC[6a]C)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(NC[6a]C){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	108.4970	0.150	2	108.4970	0.022	2	108.4986	0.317	24	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(NGeSi)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(NGeSi){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	108.1580	0.283	2	108.1580	0.080	2	108.4986	0.317	24	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(NSi2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(NSi2){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	108.5910	0.477	10	108.5910	0.228	10	108.4986	0.317	24	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(NSiSn)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(NSiSn){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	108.9520	0.455	2	108.9520	0.207	2	108.4986	0.317	24	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(NSiZn)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(NSiZn){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	108.9735	0.603	2	108.9735	0.364	2	108.4986	0.317	24	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(NSi[5]H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(NSi[5]H){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	108.6615	1.182	2	108.6615	1.396	2	108.4986	0.317	24	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N[6]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(N[6]Ge[6]C[6])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Ge<2>,1|H<1>,3|C<3>,3|C<4>}	B[5a](N[5a]C[5a]C[6a])2(N[6]Ge[6]C[6]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	108.2987	0.227	3	108.1307	0.146	7	108.1307	0.146	7	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N[6]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(N[6]Ge[6]C[6])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Ge<4>,1|H<1>,3|C<3>,3|C<4>}	B[5a](N[5a]C[5a]C[6a])2(N[6]Ge[6]C[6]){1|C<4>,1|N<3>,2|O<2>,4|C<3>,4|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	108.0048	0.457	4	108.1307	0.146	7	108.1307	0.146	7	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(OLiSn)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(OLiSn){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|O<3>,3|C<3>}	108.3590	0.266	2	108.3590	0.071	2	108.3590	0.071	2	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:P-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(PHH)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(PHH){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|P<3>,3|C<3>}	108.1170	0.211	2	108.1170	0.044	2	108.2860	0.058	4	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:P-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(PNN)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(PNN){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|P<3>,3|C<3>}	108.4550	0.126	2	108.4550	0.016	2	108.2860	0.058	4	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:P[5]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]P[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(P[5]N[5]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]P[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(P[5]N[5]2){2|C<4>,2|H<1>,6|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|P<3>,3|C<3>}	108.7475	0.400	2	108.5660	0.148	4	108.5660	0.148	4	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:P[5]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]P[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(P[5]N[5]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]P[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(P[5]N[5]2){2|H<1>,8|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|P<3>,3|C<3>}	108.3845	0.392	2	108.5660	0.148	4	108.5660	0.148	4	108.2526	0.277	106	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](B[5a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]C[6a])(N[5a]N[5a])	N[5a](B[5a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	B[5a](N[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){2|F<1>,7|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]C[6a])(N[5a]N[5a]){1|H<1>,6|C<3>}	106.8430	0.000	1	106.8430	0.000	1	106.8430	0.000	1	108.7410	2.703	3	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]N)(NC[6a])	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|N<2>,2|C<4>,5|C<3>}	B[5a](N[5a]C[5a]C[6a])2(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]N)(NC[6a]){4|C<3>}	109.6900	0.052	2	109.6900	0.003	2	109.6900	0.003	2	108.7410	2.703	3	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]2)	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	B[5a](N[5a]C[5a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	108.8465	0.138	2	108.8465	0.019	2	108.8465	0.019	2	108.8692	0.092	6	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	B[5a](N[5a]C[5a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,9|C<3>}	108.8805	0.382	4	108.8805	0.146	4	108.8805	0.146	4	108.8692	0.092	6	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(CCHH)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,3|C<3>}	108.3420	0.253	2	108.3420	0.064	2	108.7922	0.090	10	108.7385	0.202	22	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(CC[6a]HH)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,3|C<3>}	108.8345	0.004	4	108.8345	0.000	4	108.7922	0.090	10	108.7385	0.202	22	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(CH3)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(CH3){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,3|C<3>}	108.9750	0.257	4	108.9750	0.066	4	108.7922	0.090	10	108.7385	0.202	22	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Ga-4:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(GaO[5]Br2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(GaO[5]Br2){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ga<4>,3|C<3>}	108.4075	0.127	2	108.4075	0.016	2	108.9070	0.480	6	108.7385	0.202	22	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Ga-4:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(GaO[5]CC)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(GaO[5]CC){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ga<4>,3|C<3>}	109.7390	0.470	2	109.7390	0.220	2	108.9070	0.480	6	108.7385	0.202	22	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Ga-4:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(GaO[5]Cl2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(GaO[5]Cl2){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ga<4>,3|C<3>}	108.5745	0.247	2	108.5745	0.061	2	108.9070	0.480	6	108.7385	0.202	22	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Ge-4:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(GeGeHH)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(GeGeHH){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ge<4>,3|C<3>}	108.5100	0.061	2	108.5100	0.004	2	108.5100	0.004	2	108.7385	0.202	22	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Si-4:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(SiHHN)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(SiHHN){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Si<4>,3|C<3>}	108.6185	0.432	2	108.6185	0.187	2	108.4660	0.141	4	108.7385	0.202	22	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Si-4:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(SiIIN)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a]C[6a])2(SiIIN){2|H<1>,4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Si<4>,3|C<3>}	108.3135	0.380	2	108.3135	0.144	2	108.4660	0.141	4	108.7385	0.202	22	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:4:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C-4:	C[6a]-3:N[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC3)	B[5a](C[6a]C[6a]2)(N[5a]C[5a]C)2	C[5a](C[5a]N[5a]H)(N[5a]B[5a]C)(H)	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	B[5a](C[6a]C[6a]2)(N[5a]C[5a]C)2{2|C<3>,4|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]B[5a]C)(H){1|C<3>,1|C<4>}	107.1115	0.250	6	107.1115	0.062	6	107.1115	0.062	6	107.3753	0.680	9	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:4:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C-4:	N[5a,6a]-3:B[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](B[5a]N[5a,6a]B[5a])(C[5a]C[5a,6a]H)(CC3)	B[5a](N[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]N[5a])(N[5a]C[5a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5a]C)(H)	N[5a](B[5a]N[5a,6a]B[5a])(C[5a]C[5a,6a]H)(CC3){2|C<3>,2|N<3>}	B[5a](N[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]N[5a])(N[5a]C[5a]C){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5a]C)(H){1|B<3>,1|H<1>,2|C<3>}	109.5060	0.000	1	109.5060	0.000	1	109.5060	0.000	1	107.3753	0.680	9	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP2_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:4:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(CC3)	B[5a](N[5a]C[5a]C)2(CSiN)	C[5a](C[5a]N[5a]H)(N[5a]B[5a]C)(H)	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>}	B[5a](N[5a]C[5a]C)2(CSiN){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]B[5a]C)(H){1|C<3>,1|C<4>}	107.1015	0.142	2	107.1015	0.020	2	107.1015	0.020	2	107.3753	0.680	9	108.1829	0.570	187	108.1689	0.891	415
813	3	727	5:SP3_SP2_SP2	N[5a,6a]	B[5a,6a]	C[5a]	4:3:3:	3:3:3:	3:3:2:	B[6,6a]-4:B[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-3:N[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](B[6,6a]N[6,6a]N[6]2)(B[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])	B[5a,6a](N[5a,6a]B[6,6a]C[5a])(N[6a]B[6,6a]C[6a])(N[5a]C[6a]N[5a])	C[5a](N[5a,6a]B[5a,6a]B[6,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6a](B[6,6a]N[6,6a]N[6]2)(B[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a]){1|B<3>,2|N<2>,7|C<3>}	B[5a,6a](N[5a,6a]B[6,6a]C[5a])(N[6a]B[6,6a]C[6a])(N[5a]C[6a]N[5a]){4|N<3>,5|C<3>}	C[5a](N[5a,6a]B[5a,6a]B[6,6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>,4|N<3>}	104.4860	0.000	1	104.4860	0.000	1	104.4860	0.000	1	104.4860	0.000	1	104.4860	0.000	1	106.4140	7.434	2
813	3	727	5:SP3_SP2_SP2	N[5a]	B[5a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N[6]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(N[6]Ge[6]C[6])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Ge<2>,1|H<1>,3|C<3>,3|C<4>}	B[5a](N[5a]C[5a]C[6a])2(N[6]Ge[6]C[6]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	108.3420	0.000	1	108.3420	0.000	1	108.3420	0.000	1	108.3420	0.000	1	108.3420	0.000	1	106.4140	7.434	2
813	3	762	0:SP2_SP2_SP2	N[5a]	B[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6]-3:	N[5a]-3:N[5a]-3:Br-1:	N[5a]-3:C[6]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6]C[6]2)	B[5a](N[5a]C[5a,6a]C[6])2(Br)	C[6](N[5a]C[5a,6a]B[5a])(C[6]C[6]C)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6]C[6]2){1|H<1>,2|C<2>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a,6a]C[6])2(Br){6|C<3>}	C[6](N[5a]C[5a,6a]B[5a])(C[6]C[6]C)2{1|Br<1>,1|N<3>,3|C<3>}	132.2270	0.000	1	132.2270	0.000	1	132.2270	0.000	1	132.2270	0.000	1	132.2270	0.000	1	132.2270	0.000	1
813	3	811	6:SP3_SP2_SP3	N[5a,6a]	B[5a,6a]	B[6,6a]	4:3:3:	3:3:3:	3:3:3:3:	B[6,6a]-4:B[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-3:N[5a]-3:	N[5a,6a]-3:N[6,6a]-3:N[6]-3:N[6]-3:	N[5a,6a](B[6,6a]N[6,6a]N[6]2)(B[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])	B[5a,6a](N[5a,6a]B[6,6a]C[5a])(N[6a]B[6,6a]C[6a])(N[5a]C[6a]N[5a])	B[6,6a](N[5a,6a]B[5a,6a]C[5a])(N[6,6a]B[6,6a]C[6])(N[6]C[6a]N[6])2	N[5a,6a](B[6,6a]N[6,6a]N[6]2)(B[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a]){1|B<3>,2|N<2>,7|C<3>}	B[5a,6a](N[5a,6a]B[6,6a]C[5a])(N[6a]B[6,6a]C[6a])(N[5a]C[6a]N[5a]){4|N<3>,5|C<3>}	B[6,6a](N[5a,6a]B[5a,6a]C[5a])(N[6,6a]B[6,6a]C[6])(N[6]C[6a]N[6])2{2|N<2>,3|N<3>,7|C<3>}	125.2300	0.000	1	125.2300	0.000	1	125.2300	0.000	1	125.2300	0.000	1	125.2300	0.000	1	125.2300	0.000	1
813	3	813	5:SP2_SP2_SP2	N[5a,5a]	B[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,5a]-3:B[5a]-3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	N[5a,5a]-3:B[5a]-3:C[5a]-3:	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]B[5a]C[5a])(B[5a]C[5a]C[6a])	B[5a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	N[5a,5a](N[5a,5a]C[5a,6a]B[5a])(B[5a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]B[5a]C[5a])(B[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	B[5a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|B<3>,2|H<1>,7|C<3>}	N[5a,5a](N[5a,5a]C[5a,6a]B[5a])(B[5a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){8|C<3>}	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	111.4085	0.987	2	111.4085	0.987	2	110.6937	1.088	4
813	3	813	5:SP2_SP2_SP2	N[5a,5a]	B[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:B[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,5a]-3:B[5a]-3:	N[5a,5a](N[5a,5a]C[5a,6a]B[5a])(B[5a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]B[5a]C[5a])(B[5a]C[5a]C[6a])	N[5a,5a](N[5a,5a]C[5a,6a]B[5a])(B[5a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){8|C<3>}	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2){1|B<3>,3|H<1>,6|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]B[5a]C[5a])(B[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	112.1110	0.000	1	112.1110	0.000	1	112.1110	0.000	1	111.4085	0.987	2	111.4085	0.987	2	110.6937	1.088	4
813	3	813	5:SP2_SP2_SP2	N[5a]	B[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	B[5a]-3:N[5a]-3:H-1:	C[6a]-3:N[5a]-3:N[5a]-3:	B[5a]-3:N[5a]-3:C-4:	N[5a](B[5a]C[6a]N[5a])(N[5a]B[5a]C)(H)	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]H)	N[5a](B[5a]C[6a]N[5a])(N[5a]B[5a]H)(CH3)	N[5a](B[5a]C[6a]N[5a])(N[5a]B[5a]C)(H){1|N<3>,3|C<3>}	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]H){1|C<4>,2|H<1>,3|C<3>}	N[5a](B[5a]C[6a]N[5a])(N[5a]B[5a]H)(CH3){1|N<3>,3|C<3>}	110.3200	0.000	1	110.3200	0.000	1	110.3200	0.000	1	110.3200	0.000	1	109.9790	0.233	2	110.6937	1.088	4
813	3	813	5:SP2_SP2_SP2	N[5a]	B[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	B[5a]-3:N[5a]-3:C-4:	C[6a]-3:N[5a]-3:N[5a]-3:	B[5a]-3:N[5a]-3:H-1:	N[5a](B[5a]C[6a]N[5a])(N[5a]B[5a]H)(CH3)	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]C)	N[5a](B[5a]C[6a]N[5a])(N[5a]B[5a]C)(H)	N[5a](B[5a]C[6a]N[5a])(N[5a]B[5a]H)(CH3){1|N<3>,3|C<3>}	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]C){3|C<3>,3|H<1>}	N[5a](B[5a]C[6a]N[5a])(N[5a]B[5a]C)(H){1|N<3>,3|C<3>}	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	109.9790	0.233	2	110.6937	1.088	4
813	3	813	5:SP3_SP2_SP3	N[5,5a,6]	B[5a,6]	N[5,5a]	4:3:3:	3:3:2:	3:3:3:	C[5,6,6]-4:B[5a,6]-3:N[5,5a]-3:	N[5,5a,6]-3:C[6,6a]-3:O[5a]-2:	N[5,5a,6]-3:B[5]-3:C[5a]-3:	N[5,5a,6](C[5,6,6]C[5,6]C[6,6]C)(B[5a,6]C[6,6a]O[5a])(N[5,5a]C[5a]B[5])	B[5a,6](N[5,5a,6]C[5,6,6]N[5,5a])(C[6,6a]C[6,6a]C[6a])(O[5a]C[5a])	N[5,5a](N[5,5a,6]C[5,6,6]B[5a,6])(B[5]C[5,6]C[6a])(C[5a]O[5a]O)	N[5,5a,6](C[5,6,6]C[5,6]C[6,6]C)(B[5a,6]C[6,6a]O[5a])(N[5,5a]C[5a]B[5]){1|H<1>,1|O<1>,5|C<3>}	B[5a,6](N[5,5a,6]C[5,6,6]N[5,5a])(C[6,6a]C[6,6a]C[6a])(O[5a]C[5a]){1|B<3>,1|O<1>,2|C<4>,4|C<3>}	N[5,5a](N[5,5a,6]C[5,6,6]B[5a,6])(B[5]C[5,6]C[6a])(C[5a]O[5a]O){1|C<4>,1|H<1>,5|C<3>}	107.4170	0.000	1	107.4170	0.000	1	107.4170	0.000	1	107.4170	0.000	1	107.4170	0.000	1	107.9972	1.583	5
813	3	813	5:SP3_SP2_SP3	N[5a]	B[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:4:	B[5a,6]-3:N[5a]-3:C-4:	N[5a,6]-3:N[6]-3:N[5a]-3:	B[5a]-3:N[5a]-3:C-4:	N[5a](B[5a,6]N[5a,6]N[6])(N[5a]B[5a]C)(CH3)	B[5a,6](N[5a,6]B[5a]N[6])(N[6]N[5a,6]C)(N[5a]N[5a]C)	N[5a](B[5a]N[5a,6]C[6a])(N[5a]B[5a,6]C)(CH3)	N[5a](B[5a,6]N[5a,6]N[6])(N[5a]B[5a]C)(CH3){1|C<3>,1|C<4>,2|N<3>}	B[5a,6](N[5a,6]B[5a]N[6])(N[6]N[5a,6]C)(N[5a]N[5a]C){1|C<3>,2|B<3>,2|C<4>}	N[5a](B[5a]N[5a,6]C[6a])(N[5a]B[5a,6]C)(CH3){2|C<3>,2|N<3>}	106.9445	0.359	2	106.9445	0.129	2	106.9445	0.129	2	106.9445	0.129	2	106.9445	0.129	2	107.9972	1.583	5
813	3	813	5:SP3_SP2_SP3	N[5a]	B[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	B[5a]-3:N[5a]-3:C-4:	N[5a,6]-3:C[6a]-3:N[5a]-3:	B[5a,6]-3:N[5a]-3:C-4:	N[5a](B[5a]N[5a,6]C[6a])(N[5a]B[5a,6]C)(CH3)	B[5a](N[5a,6]B[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](B[5a,6]N[5a,6]N[6])(N[5a]B[5a]C)(CH3)	N[5a](B[5a]N[5a,6]C[6a])(N[5a]B[5a,6]C)(CH3){2|C<3>,2|N<3>}	B[5a](N[5a,6]B[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]C){1|B<3>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5a](B[5a,6]N[5a,6]N[6])(N[5a]B[5a]C)(CH3){1|C<3>,1|C<4>,2|N<3>}	109.3400	0.214	2	109.3400	0.046	2	109.3400	0.046	2	109.3400	0.046	2	109.3400	0.046	2	107.9972	1.583	5
813	3	856	0:SP2_SP2_SP2	N[5a,6]	B[5a]	N[6]	3:3:3:	3:3:3:	3:3:4:	B[5a,6]-3:B[5a]-3:N[6]-3:	N[5a,6]-3:C[6a]-3:N[5a]-3:	B[5a,6]-3:N[5a,6]-3:C-4:	N[5a,6](B[5a,6]N[5a]N[6])(B[5a]C[6a]N[5a])(N[6]B[5a,6]C)	B[5a](N[5a,6]B[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]C)	N[6](B[5a,6]N[5a,6]N[5a])(N[5a,6]B[5a,6]B[5a])(CH3)	N[5a,6](B[5a,6]N[5a]N[6])(B[5a]C[6a]N[5a])(N[6]B[5a,6]C){2|C<3>,2|N<3>,3|C<4>}	B[5a](N[5a,6]B[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]C){1|B<3>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[6](B[5a,6]N[5a,6]N[5a])(N[5a,6]B[5a,6]B[5a])(CH3){1|B<3>,1|C<3>,1|C<4>,4|N<3>}	129.6300	0.000	1	129.6300	0.000	1	129.6300	0.000	1	129.6300	0.000	1	129.6300	0.000	1	129.6300	0.000	1
813	3	856	0:SP2_SP2_SP3	N[5a,6]	B[5a]	N[6]	3:3:3:	3:3:3:	3:3:4:	B[5a,6]-3:B[5a]-3:N[6]-3:	N[5a,6]-3:C[6a]-3:N[5a]-3:	B[5a,6]-3:N[5a,6]-3:C-4:	N[5a,6](B[5a,6]N[5a]N[6])(B[5a]C[6a]N[5a])(N[6]B[5a,6]C)	B[5a](N[5a,6]B[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]C)	N[6](B[5a,6]N[5a,6]N[5a])(N[5a,6]B[5a,6]B[5a])(CH3)	N[5a,6](B[5a,6]N[5a]N[6])(B[5a]C[6a]N[5a])(N[6]B[5a,6]C){2|C<3>,2|N<3>,3|C<4>}	B[5a](N[5a,6]B[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]C){1|B<3>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[6](B[5a,6]N[5a,6]N[5a])(N[5a,6]B[5a,6]B[5a])(CH3){1|B<3>,1|C<3>,1|C<4>,4|N<3>}	128.7540	0.000	1	128.7540	0.000	1	128.7540	0.000	1	128.7540	0.000	1	128.7540	0.000	1	128.7540	0.000	1
813	3	856	6:SP2_SP2_SP2	N[5a,6]	B[5a,6]	N[6]	3:3:3:	3:3:3:	3:3:4:	B[5a,6]-3:B[5a]-3:N[6]-3:	N[5a,6]-3:N[6]-3:N[5a]-3:	B[5a,6]-3:N[5a,6]-3:C-4:	N[5a,6](B[5a,6]N[5a]N[6])(B[5a]C[6a]N[5a])(N[6]B[5a,6]C)	B[5a,6](N[5a,6]B[5a]N[6])(N[6]N[5a,6]C)(N[5a]N[5a]C)	N[6](B[5a,6]N[5a,6]N[5a])(N[5a,6]B[5a,6]B[5a])(CH3)	N[5a,6](B[5a,6]N[5a]N[6])(B[5a]C[6a]N[5a])(N[6]B[5a,6]C){2|C<3>,2|N<3>,3|C<4>}	B[5a,6](N[5a,6]B[5a]N[6])(N[6]N[5a,6]C)(N[5a]N[5a]C){1|C<3>,2|B<3>,2|C<4>}	N[6](B[5a,6]N[5a,6]N[5a])(N[5a,6]B[5a,6]B[5a])(CH3){1|B<3>,1|C<3>,1|C<4>,4|N<3>}	122.0890	0.000	1	122.0890	0.000	1	122.0890	0.000	1	122.0890	0.000	1	122.0890	0.000	1	122.0890	0.000	1
813	3	856	6:SP2_SP2_SP3	N[5a,6]	B[5a,6]	N[6]	3:3:3:	3:3:3:	3:3:4:	B[5a,6]-3:B[5a]-3:N[6]-3:	N[5a,6]-3:N[6]-3:N[5a]-3:	B[5a,6]-3:N[5a,6]-3:C-4:	N[5a,6](B[5a,6]N[5a]N[6])(B[5a]C[6a]N[5a])(N[6]B[5a,6]C)	B[5a,6](N[5a,6]B[5a]N[6])(N[6]N[5a,6]C)(N[5a]N[5a]C)	N[6](B[5a,6]N[5a,6]N[5a])(N[5a,6]B[5a,6]B[5a])(CH3)	N[5a,6](B[5a,6]N[5a]N[6])(B[5a]C[6a]N[5a])(N[6]B[5a,6]C){2|C<3>,2|N<3>,3|C<4>}	B[5a,6](N[5a,6]B[5a]N[6])(N[6]N[5a,6]C)(N[5a]N[5a]C){1|C<3>,2|B<3>,2|C<4>}	N[6](B[5a,6]N[5a,6]N[5a])(N[5a,6]B[5a,6]B[5a])(CH3){1|B<3>,1|C<3>,1|C<4>,4|N<3>}	122.3780	0.000	1	122.3780	0.000	1	122.3780	0.000	1	122.3780	0.000	1	122.3780	0.000	1	122.3780	0.000	1
813	3	951	0:SP2_SP-NON_SP2	N[5a]	B[5a,6a]	H	3:3:1:	3:3:3:	3:	B[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(N[5a]B[5a,6a]C[5a])	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(N[5a]B[5a,6a]C[5a])	126.9160	0.000	1	126.6320	0.161	2	126.6320	0.161	2	126.6320	0.161	2	126.6320	0.161	2	128.4266	13.913	35
813	3	951	0:SP2_SP-NON_SP2	N[5a]	B[5a,6a]	H	3:3:1:	3:3:3:	3:	B[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(N[5a]B[5a,6a]C[5a])	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	H(N[5a]B[5a,6a]C[5a])	126.3480	0.000	1	126.6320	0.161	2	126.6320	0.161	2	126.6320	0.161	2	126.6320	0.161	2	128.4266	13.913	35
813	3	951	0:SP2_SP-NON_SP2	N[5a]	B[5a]	H	3:2:1:	3:3:3:	3:	B[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](B[5a]C[5a]N[5a])(N[5a]C[5a])(H)	B[5a](C[5a]C[5a]2)(N[5a]C[5a]H)(N[5a]N[5a]H)	H(N[5a]B[5a]N[5a])	N[5a](B[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	B[5a](C[5a]C[5a]2)(N[5a]C[5a]H)(N[5a]N[5a]H){1|N<3>,2|C<3>,2|H<1>}	H(N[5a]B[5a]N[5a])	133.4830	0.000	1	133.4830	0.000	1	133.4830	0.000	1	133.4830	0.000	1	128.5354	14.564	33	128.4266	13.913	35
813	3	951	0:SP2_SP-NON_SP2	N[5a]	B[5a]	H	3:3:1:	3:3:2:	3:	B[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:O[5a]-2:	N[5a]-3:	N[5a](B[5a]C[5a]O[5a])(C[5a]C[6a]N[5a])(H)	B[5a](C[5a]C[5a]2)(N[5a]C[5a]H)(O[5a]N[5a])	H(N[5a]B[5a]C[5a])	N[5a](B[5a]C[5a]O[5a])(C[5a]C[6a]N[5a])(H){4|C<3>}	B[5a](C[5a]C[5a]2)(N[5a]C[5a]H)(O[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	H(N[5a]B[5a]C[5a])	135.6430	0.000	1	135.6430	0.000	1	135.6430	0.000	1	133.5183	3.748	3	128.5354	14.564	33	128.4266	13.913	35
813	3	951	0:SP2_SP-NON_SP2	N[5a]	B[5a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:B[5a]-3:H-1:	B[5a]-3:N[5a]-3:O[5a]-2:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a])(H)	B[5a](B[5a]N[5a]O[5a])(N[5a]C[5a,6a]H)(O[5a]C[5a,6a])	H(N[5a]C[5a,6a]B[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	B[5a](B[5a]N[5a]O[5a])(N[5a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	H(N[5a]C[5a,6a]B[5a])	131.8540	0.000	1	131.8540	0.000	1	131.8540	0.000	1	133.5183	3.748	3	128.5354	14.564	33	128.4266	13.913	35
813	3	951	0:SP2_SP-NON_SP2	N[5a]	B[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:B[5a]-3:H-1:	N[5a]-3:N[5a]-3:O-2:	N[5a]-3:	N[5a](C[5a]C[6a]N[5a])(B[5a]N[5a]O)(H)	B[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]H)(OB[5a])	H(N[5a]B[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(B[5a]N[5a]O)(H){3|C<3>}	B[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]H)(OB[5a]){3|C<3>}	H(N[5a]B[5a]C[5a])	133.0580	0.000	1	133.0580	0.000	1	133.0580	0.000	1	133.5183	3.748	3	128.5354	14.564	33	128.4266	13.913	35
813	3	951	0:SP2_SP-NON_SP2	N[5a]	B[5a]	H	3:3:1:	3:3:3:	3:	B[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](B[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(H)	B[5a](C[5a]C[5a]2)(N[5a]C[5a]H)(N[5a]N[5a]H)	H(N[5a]B[5a]C[5a])	N[5a](B[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	B[5a](C[5a]C[5a]2)(N[5a]C[5a]H)(N[5a]N[5a]H){1|N<3>,2|C<3>,2|H<1>}	H(N[5a]B[5a]C[5a])	131.4410	0.000	1	131.4410	0.000	1	131.4410	0.000	1	127.9201	12.662	28	128.5354	14.564	33	128.4266	13.913	35
813	3	951	0:SP2_SP-NON_SP2	N[5a]	B[5a]	H	3:3:1:	3:3:3:	3:	B[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:	N[5a](B[5a]C[6a]N[5a])(C[5a]C[6a]N[5a])(H)	B[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	H(N[5a]B[5a]C[5a])	N[5a](B[5a]C[6a]N[5a])(C[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	B[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|F<1>,5|C<3>}	H(N[5a]B[5a]C[5a])	129.2045	0.978	2	131.5056	4.921	5	131.5056	4.921	5	127.9201	12.662	28	128.5354	14.564	33	128.4266	13.913	35
813	3	951	0:SP2_SP-NON_SP2	N[5a]	B[5a]	H	3:3:1:	3:3:3:	3:	B[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:	N[5a](B[5a]C[6a]N[5a])(C[5a]C[6a]N[5a])(H)	B[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	H(N[5a]B[5a]C[5a])	N[5a](B[5a]C[6a]N[5a])(C[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	B[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,5|C<3>}	H(N[5a]B[5a]C[5a])	133.0397	0.734	3	131.5056	4.921	5	131.5056	4.921	5	127.9201	12.662	28	128.5354	14.564	33	128.4266	13.913	35
813	3	951	0:SP2_SP-NON_SP2	N[5a]	B[5a]	H	3:3:1:	3:3:3:	3:	B[5a]-3:N[5a]-3:H-1:	C[6a]-3:N[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](B[5a]C[6a]N[5a])(N[5a]B[5a]C)(H)	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]H)	H(N[5a]B[5a]N[5a])	N[5a](B[5a]C[6a]N[5a])(N[5a]B[5a]C)(H){1|N<3>,3|C<3>}	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]H){1|C<4>,2|H<1>,3|C<3>}	H(N[5a]B[5a]N[5a])	133.0440	0.000	1	133.0440	0.000	1	133.0440	0.000	1	127.9201	12.662	28	128.5354	14.564	33	128.4266	13.913	35
813	3	951	0:SP2_SP-NON_SP2	N[5a]	B[5a]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:B[5a]-3:H-1:	N[5a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(B[5a]C[6a]N[5a])(H)	B[5a](N[5a]C[5a,6]H)2(C[6a]C[6a]2)	H(N[5a]C[5a,6]B[5a])	N[5a](C[5a,6]C[5a,6]C[6])(B[5a]C[6a]N[5a])(H){1|H<1>,1|O<1>,4|C<3>}	B[5a](N[5a]C[5a,6]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	H(N[5a]C[5a,6]B[5a])	126.0645	0.202	2	126.0645	0.041	2	126.0645	0.041	2	127.9201	12.662	28	128.5354	14.564	33	128.4266	13.913	35
813	3	951	0:SP2_SP-NON_SP2	N[5a]	B[5a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:B[5a]-3:H-1:	N[5a]-3:N[5a]-3:B[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(H)	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(B[5a]N[5a]2)	H(N[5a]C[5a,6a]B[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(H){1|H<1>,2|N<3>,3|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(B[5a]N[5a]2){1|H<1>,1|N<2>,6|C<3>}	H(N[5a]C[5a,6a]B[5a])	124.7450	0.219	3	124.7450	0.048	3	126.0374	4.322	7	127.9201	12.662	28	128.5354	14.564	33	128.4266	13.913	35
813	3	951	0:SP2_SP-NON_SP2	N[5a]	B[5a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:B[5a]-3:H-1:	N[5a]-3:N[5a]-3:B[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(H)	B[5a](N[5a]C[5a,6a]H)2(B[5a]N[5a]2)	H(N[5a]C[5a,6a]B[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(H){2|C<3>,2|H<1>,2|N<3>}	B[5a](N[5a]C[5a,6a]H)2(B[5a]N[5a]2){2|H<1>,4|C<3>}	H(N[5a]C[5a,6a]B[5a])	127.0067	2.385	4	127.0067	5.689	4	126.0374	4.322	7	127.9201	12.662	28	128.5354	14.564	33	128.4266	13.913	35
813	3	951	0:SP2_SP-NON_SP2	N[5a]	B[5a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:B[5a]-3:H-1:	N[5a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H)	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	H(N[5a]C[5a,6a]B[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|Br<1>,1|H<1>,6|C<3>}	H(N[5a]C[5a,6a]B[5a])	136.7000	0.000	1	136.7000	0.000	1	127.1132	13.979	12	127.9201	12.662	28	128.5354	14.564	33	128.4266	13.913	35
813	3	951	0:SP2_SP-NON_SP2	N[5a]	B[5a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:B[5a]-3:H-1:	N[5a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H)	B[5a](N[5a]C[5a,6a]H)2(C[6a]C[6a]2)	H(N[5a]C[5a,6a]B[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H){2|H<1>,4|C<3>}	B[5a](N[5a]C[5a,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	H(N[5a]C[5a,6a]B[5a])	126.2416	2.313	11	126.2416	5.350	11	127.1132	13.979	12	127.9201	12.662	28	128.5354	14.564	33	128.4266	13.913	35
813	3	951	0:SP2_SP-NON_SP2	N[5a]	B[5a]	H	3:3:1:	4:3:3:	3:	C[5a,6a]-3:B[5a]-3:H-1:	N[5a]-4:N[5a]-3:B[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(H)	B[5a](N[5a]C[5a,6a]Li2)(N[5a]C[5a,6a]H)(B[5a]N[5a]2)	H(N[5a]C[5a,6a]B[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(H){2|Li<4>,1|H<1>,1|N<3>,1|N<4>,2|C<3>}	B[5a](N[5a]C[5a,6a]Li2)(N[5a]C[5a,6a]H)(B[5a]N[5a]2){2|Li<4>,1|H<1>,4|C<3>}	H(N[5a]C[5a,6a]B[5a])	125.8680	0.000	1	125.8680	0.000	1	125.8680	0.000	1	125.8680	0.000	1	128.5354	14.564	33	128.4266	13.913	35
813	3	956	0:SP2_SP2_SP3	N[5a]	B[5a]	N	3:3:3:	3:3:3:	3:4:1:	B[5a]-3:B[5a]-3:N-3:	C[6a]-3:N[5a]-3:N[5a]-3:	N[5a]-3:C-4:H-1:	N[5a](B[5a]C[6a]N[5a])2(NCH)	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]C)	N(N[5a]B[5a]2)(CH3)(H)	N[5a](B[5a]C[6a]N[5a])2(NCH){1|C<4>,1|H<1>,4|C<3>}	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]C){3|C<3>,3|H<1>}	N(N[5a]B[5a]2)(CH3)(H)	124.6490	0.000	1	124.4625	0.070	2	124.4053	0.045	3	124.4053	0.045	3	124.9015	1.014	4	124.9015	1.014	4
813	3	956	0:SP2_SP2_SP3	N[5a]	B[5a]	N	3:3:3:	3:3:3:	3:4:1:	B[5a]-3:B[5a]-3:N-3:	C[6a]-3:N[5a]-3:N[5a]-3:	N[5a]-3:C-4:H-1:	N[5a](B[5a]C[6a]N[5a])2(NCH)	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]C)	N(N[5a]B[5a]2)(CH3)(H)	N[5a](B[5a]C[6a]N[5a])2(NCH){2|Rh<6>,1|C<4>,4|C<3>}	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]C){2|Rh<6>,2|H<1>,3|C<3>}	N(N[5a]B[5a]2)(CH3)(H)	124.2760	0.000	1	124.4625	0.070	2	124.4053	0.045	3	124.4053	0.045	3	124.9015	1.014	4	124.9015	1.014	4
813	3	956	0:SP2_SP2_SP3	N[5a]	B[5a]	N	3:3:3:	3:3:3:	3:4:1:	B[5a]-3:B[5a]-3:N-3:	C[6a]-3:N[5a]-3:N[5a]-3:	N[5a]-3:C-4:H-1:	N[5a](B[5a]C[6a]N[5a])2(NCH)	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]H)	N(N[5a]B[5a]2)(CH3)(H)	N[5a](B[5a]C[6a]N[5a])2(NCH){1|C<4>,1|H<1>,4|C<3>}	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]H){1|C<4>,2|H<1>,3|C<3>}	N(N[5a]B[5a]2)(CH3)(H)	124.2910	0.000	1	124.2910	0.000	1	124.4053	0.045	3	124.4053	0.045	3	124.9015	1.014	4	124.9015	1.014	4
813	3	956	0:SP2_SP2_SP3	N[5a]	B[5a]	N	3:3:3:	4:3:3:	3:4:1:	B[5a]-3:B[5a]-3:N-3:	N[5a]-4:C[6a]-3:N[5a]-3:	N[5a]-3:C-4:H-1:	N[5a](B[5a]C[6a]N[5a])2(NCH)	B[5a](N[5a]N[5a]Rh2)(C[6a]C[6a]2)(N[5a]B[5a]N)	N(N[5a]B[5a]2)(CH3)(H)	N[5a](B[5a]C[6a]N[5a])2(NCH){2|Rh<6>,1|C<4>,4|C<3>}	B[5a](N[5a]N[5a]Rh2)(C[6a]C[6a]2)(N[5a]B[5a]N){1|C<4>,2|H<1>,3|C<3>}	N(N[5a]B[5a]2)(CH3)(H)	126.3900	0.000	1	126.3900	0.000	1	126.3900	0.000	1	126.3900	0.000	1	124.9015	1.014	4	124.9015	1.014	4
813	14	727	0:SP2_SP2_SP3	N[5a,6,6]	P[3x6]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6]-3:P[3x6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:	N[5a,6,6]-3:C[5a]-3:H-1:	N[5a,6,6](C[5a,6,6]C[3x6]C[5a])(P[3x6]N[5a,6,6]2)(C[5a]C[5a]H)	P[3x6](N[5a,6,6]C[5a,6,6]C[5a])3	C[5a](N[5a,6,6]C[5a,6,6]P[3x6])(C[5a]C[5a]H)(H)	N[5a,6,6](C[5a,6,6]C[3x6]C[5a])(P[3x6]N[5a,6,6]2)(C[5a]C[5a]H){3|H<1>,4|C<3>}	P[3x6](N[5a,6,6]C[5a,6,6]C[5a])3{1|C<4>,3|H<1>,6|C<3>}	C[5a](N[5a,6,6]C[5a,6,6]P[3x6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|N<3>}	131.2520	0.309	3	131.2520	0.095	3	131.2520	0.095	3	131.2520	0.095	3	131.2520	0.095	3	131.2520	0.095	3
813	14	727	6:SP2_SP2_SP3	N[5a,6,6]	P[3x6]	C[5a,6,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6,6]-3:P[3x6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:	N[5a,6,6]-3:C[3x6]-4:C[5a]-3:	N[5a,6,6](C[5a,6,6]C[3x6]C[5a])(P[3x6]N[5a,6,6]2)(C[5a]C[5a]H)	P[3x6](N[5a,6,6]C[5a,6,6]C[5a])3	C[5a,6,6](N[5a,6,6]P[3x6]C[5a])(C[3x6]C[5a,6,6]2H)(C[5a]C[5a]H)	N[5a,6,6](C[5a,6,6]C[3x6]C[5a])(P[3x6]N[5a,6,6]2)(C[5a]C[5a]H){3|H<1>,4|C<3>}	P[3x6](N[5a,6,6]C[5a,6,6]C[5a])3{1|C<4>,3|H<1>,6|C<3>}	C[5a,6,6](N[5a,6,6]P[3x6]C[5a])(C[3x6]C[5a,6,6]2H)(C[5a]C[5a]H){2|C<3>,2|H<1>,2|N<3>}	119.9233	0.142	3	119.9233	0.020	3	119.9233	0.020	3	119.9233	0.020	3	119.9233	0.020	3	119.9233	0.020	3
813	18	519	0:SP2_SP2_SPD6	N[5a]	B[5x3,4,9x5,6,6]	N[5a]	6:3:2:	6:6:6:6:5:3:	3:2:	B[5x3,4,9x5,6,6]-6:C[5a]-3:N[5a]-2:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[4x3,4x5,4x6]-5:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5a]N[5a]C)(N[5a]N[5a])	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)4(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(N[5a]C[5a]N[5a])	N[5a](N[5a]B[5x3,4,9x5,6,6]C[5a])(N[5a]N[5a])	N[5a](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5a]N[5a]C)(N[5a]N[5a]){1|B<5>,3|B<6>,5|H<1>}	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)4(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(N[5a]C[5a]N[5a]){1|C<4>,2|N<2>,4|H<1>}	N[5a](N[5a]B[5x3,4,9x5,6,6]C[5a])(N[5a]N[5a]){1|B<5>,1|C<4>,4|B<6>}	115.3840	0.000	1	115.3840	0.000	1	115.3840	0.000	1	115.3840	0.000	1	115.3840	0.000	1	115.3840	0.000	1
813	18	727	0:SP2_SP2_SPD6	N[5a]	B[5x3,4,9x5,6,6]	C[5a]	6:3:2:	6:6:6:6:5:3:	3:2:4:	B[5x3,4,9x5,6,6]-6:C[5a]-3:N[5a]-2:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[4x3,4x5,4x6]-5:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5a]N[5a]C)(N[5a]N[5a])	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)4(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(N[5a]C[5a]N[5a])	C[5a](N[5a]B[5x3,4,9x5,6,6]N[5a])(N[5a]N[5a])(CC3)	N[5a](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5a]N[5a]C)(N[5a]N[5a]){1|B<5>,3|B<6>,5|H<1>}	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)4(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(N[5a]C[5a]N[5a]){1|C<4>,2|N<2>,4|H<1>}	C[5a](N[5a]B[5x3,4,9x5,6,6]N[5a])(N[5a]N[5a])(CC3){1|B<5>,4|B<6>}	137.2850	0.000	1	137.2850	0.000	1	137.2850	0.000	1	137.2850	0.000	1	137.2850	0.000	1	127.4980	14.245	11
813	18	727	0:SP2_SP2_SPD6	N[5a]	B[5x3,5x5,20x6]	C[5a,6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	B[5x3,5x5,20x6]-6:C[5a,6a]-3:C[5a,6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:N[5a]-3:	N[5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(N[5a]C[5a,6a]2)	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])2{1|C<6>,4|B<6>,4|C<3>,7|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(N[5a]C[5a,6a]2){1|B<6>,4|C<3>,5|H<1>}	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	126.2168	1.220	4	126.2168	1.488	4	126.2168	1.488	4	127.4036	3.115	7	127.4036	3.115	7	127.4980	14.245	11
813	18	727	0:SP2_SP2_SPD6	N[5a]	B[5x3,5x5,20x6]	C[5a,6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	B[5x3,5x5,20x6]-6:C[5a,6a]-3:C[5a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:N[5a]-3:	N[5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(N[5a]C[5a,6a]C[5a])	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<6>,2|C<3>,4|B<6>,7|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(N[5a]C[5a,6a]C[5a]){1|B<6>,3|C<3>,6|H<1>}	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<6>,4|B<6>,4|H<1>}	128.5635	0.081	2	128.5635	0.007	2	128.9860	0.539	3	127.4036	3.115	7	127.4036	3.115	7	127.4980	14.245	11
813	18	727	0:SP2_SP2_SPD6	N[5a]	B[5x3,5x5,20x6]	C[5a,6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	B[5x3,5x5,20x6]-6:C[5a,6a]-3:C[5a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:N[5a]-3:	N[5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(N[5a]C[5a,6a]C[5a])	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<6>,2|C<3>,4|B<6>,6|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(N[5a]C[5a,6a]C[5a]){1|B<6>,1|N<2>,2|C<3>,6|H<1>}	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<6>,3|H<1>,4|B<6>}	129.8310	0.000	1	129.8310	0.000	1	128.9860	0.539	3	127.4036	3.115	7	127.4036	3.115	7	127.4980	14.245	11
813	18	727	0:SP2_SP2_SPD6	N[5a]	B[5x3,5x5,20x6]	C[5a]	6:3:3:	6:6:6:6:6:3:	3:2:1:	B[5x3,5x5,20x6]-6:C[5a,6a]-3:C[5a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(N[5a]C[5a,6a]C[5a])	C[5a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(N[5a]C[5a,6a])(H)	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<6>,2|C<3>,4|B<6>,6|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(N[5a]C[5a,6a]C[5a]){1|B<6>,1|N<2>,2|C<3>,6|H<1>}	C[5a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(N[5a]C[5a,6a])(H){1|C<6>,2|C<3>,4|B<6>}	124.7590	0.000	1	124.7590	0.000	1	124.7590	0.000	1	124.7590	0.000	1	124.4560	0.074	3	127.4980	14.245	11
813	18	727	0:SP2_SP2_SPD6	N[5a]	B[5x3,5x5,20x6]	C[5a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[5a,6a]-3:C[5a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(N[5a]C[5a,6a]C[5a])	C[5a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(C[5a]C[5a,6a]H)(H)	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<6>,2|C<3>,4|B<6>,7|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(N[5a]C[5a,6a]C[5a]){1|B<6>,3|C<3>,6|H<1>}	C[5a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(C[5a]C[5a,6a]H)(H){1|C<6>,2|C<3>,4|B<6>}	124.3045	0.104	2	124.3045	0.011	2	124.3045	0.011	2	124.3045	0.011	2	124.4560	0.074	3	127.4980	14.245	11
813	82	727	5:SP2_SP2_SPD5	N[5,5a,6]	Ga[5,3x6]	C[5,5a]	5:3:3:	3:3:3:3:3:	3:3:3:	Ga[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ga[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OHH)	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]C)	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|C<4>,7|C<3>}	Ga[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OHH){11|C<3>}	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|O<3>,2|N<3>,3|C<3>}	116.1270	0.000	1	116.1270	0.000	1	117.2965	2.735	2	117.2965	2.735	2	117.2965	2.735	2	117.2965	2.735	2
813	82	727	5:SP2_SP2_SPD5	N[5,5a,6]	Ga[5,3x6]	C[5,5a]	5:3:3:	3:3:3:3:3:	3:3:3:	Ga[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ga[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OHH)	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|C<4>,1|H<1>,7|C<3>}	Ga[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OHH){11|C<3>}	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){1|O<3>,2|C<4>,2|N<3>,3|C<3>}	118.4660	0.000	1	118.4660	0.000	1	117.2965	2.735	2	117.2965	2.735	2	117.2965	2.735	2	117.2965	2.735	2
813	82	727	6:SP2_SP2_SPD5	N[5,5a,6]	Ga[5,3x6]	C[5a,6]	5:3:3:	3:3:3:3:3:	3:3:3:	Ga[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ga[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OHH)	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|C<4>,1|H<1>,7|C<3>}	Ga[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OHH){11|C<3>}	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<3>,3|N<3>,4|C<3>}	133.3240	0.000	1	132.7530	0.652	2	132.7530	0.652	2	132.7530	0.652	2	132.7530	0.652	2	128.0060	14.081	6
813	82	727	6:SP2_SP2_SPD5	N[5,5a,6]	Ga[5,3x6]	C[5a,6]	5:3:3:	3:3:3:3:3:	3:3:3:	Ga[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ga[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OHH)	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|C<4>,7|C<3>}	Ga[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OHH){11|C<3>}	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<3>,3|N<3>,4|C<3>}	132.1820	0.000	1	132.7530	0.652	2	132.7530	0.652	2	132.7530	0.652	2	132.7530	0.652	2	128.0060	14.081	6
813	82	727	6:SP2_SP2_SPD5	N[5a,6,6]	Ga[5,3x6]	C[5a,6]	5:3:3:	3:3:3:3:3:	3:3:3:	Ga[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](Ga[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	Ga[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OHH)	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5a,6,6](Ga[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	Ga[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OHH){11|C<3>}	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<3>,3|N<3>,4|C<3>}	125.6325	0.847	4	125.6325	0.718	4	125.6325	0.718	4	125.6325	0.718	4	125.6325	0.718	4	128.0060	14.081	6
813	181	490	0:SP2_SP2_SP3	N[5a]	S[5a]	C	3:2:4:	3:3:	3:1:1:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:H-1:H-1:H-1:	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]Cl)(N[5a]C[5a]C)	C(N[5a]C[5a]S[5a])(H)3	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(CH3){1|Cl<1>,1|H<1>}	S[5a](C[5a]C[5a]Cl)(N[5a]C[5a]C){1|H<1>,1|O<1>}	C(N[5a]C[5a]S[5a])(H)3	120.9085	1.020	2	120.9085	1.041	2	120.7727	0.576	3	120.7727	0.576	3	120.1466	2.090	19	120.1466	2.090	19
813	181	490	0:SP2_SP2_SP3	N[5a]	S[5a]	C	3:2:4:	3:3:	3:1:1:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:H-1:H-1:H-1:	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C(N[5a]C[5a]S[5a])(H)3	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(CH3){1|C<2>,1|N<2>}	S[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<2>,1|O<1>}	C(N[5a]C[5a]S[5a])(H)3	120.5010	0.000	1	120.5010	0.000	1	120.7727	0.576	3	120.7727	0.576	3	120.1466	2.090	19	120.1466	2.090	19
813	181	490	0:SP2_SP2_SP3	N[5a]	S[5a]	C	3:2:4:	3:3:	3:2:1:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:O-2:H-1:H-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C(N[5a]C[5a]S[5a])(OH)(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHO){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C(N[5a]C[5a]S[5a])(OH)(H)2	119.2250	0.000	1	119.2250	0.000	1	119.2250	0.000	1	119.2250	0.000	1	120.1466	2.090	19	120.1466	2.090	19
813	181	490	0:SP2_SP2_SP3	N[5a]	S[5a]	C	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]HH)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(H)2	119.9500	0.000	1	119.9500	0.000	1	119.9500	0.000	1	120.0480	3.107	8	120.1466	2.090	19	120.1466	2.090	19
813	181	490	0:SP2_SP2_SP3	N[5a]	S[5a]	C	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C-3:H-1:H-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CCHH)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C(N[5a]C[5a]S[5a])(COO)(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CCHH){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C(N[5a]C[5a]S[5a])(COO)(H)2	121.8930	0.000	1	121.8930	0.000	1	121.8930	0.000	1	120.0480	3.107	8	120.1466	2.090	19	120.1466	2.090	19
813	181	490	0:SP2_SP2_SP3	N[5a]	S[5a]	C	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:N-3:H-1:H-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHN)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C(N[5a]C[5a]S[5a])(NC[6a]H)(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHN){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C(N[5a]C[5a]S[5a])(NC[6a]H)(H)2	123.4120	0.000	1	123.4120	0.000	1	123.4120	0.000	1	120.0480	3.107	8	120.1466	2.090	19	120.1466	2.090	19
813	181	490	0:SP2_SP2_SP3	N[5a]	S[5a]	C	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:N[6]-3:H-1:H-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CN[6]HH)	S[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C)	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CN[6]HH){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C){1|O<1>,2|C<3>}	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	119.0258	0.670	5	119.0258	0.449	5	119.0258	0.449	5	120.0480	3.107	8	120.1466	2.090	19	120.1466	2.090	19
813	181	490	0:SP2_SP2_SP3	N[5a]	S[5a]	C	3:2:4:	3:3:	3:3:4:4:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:C-4:C-4:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]CC)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(CH3)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]CC){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(CH3)2	120.0190	0.000	1	120.0190	0.000	1	120.0190	0.000	1	119.9664	3.046	5	120.1466	2.090	19	120.1466	2.090	19
813	181	490	0:SP2_SP2_SP3	N[5a]	S[5a]	C	3:2:4:	3:3:	3:3:4:4:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:C-4:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[5a]CC)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C(N[5a]C[5a]S[5a])(C[5a]N[5a]2)(CH3)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[5a]CC){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C(N[5a]C[5a]S[5a])(C[5a]N[5a]2)(CH3)2	119.9532	2.015	4	119.9532	4.061	4	119.9532	4.061	4	119.9664	3.046	5	120.1466	2.090	19	120.1466	2.090	19
813	181	490	0:SP2_SP2_SP3	N[5a]	S[5a]	C	3:2:4:	3:3:	3:4:4:4:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C-4:C-4:C-4:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC3)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C(N[5a]C[5a]S[5a])(CHHO)(CH3)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC3){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C(N[5a]C[5a]S[5a])(CHHO)(CH3)2	120.5040	0.000	1	120.5135	0.000	2	120.5135	0.000	2	120.5135	0.000	2	120.1466	2.090	19	120.1466	2.090	19
813	181	490	0:SP2_SP2_SP3	N[5a]	S[5a]	C	3:2:4:	3:3:	3:4:4:4:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C-4:C-4:C-4:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC3)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C(N[5a]C[5a]S[5a])(CHHO)(CH3)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC3){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|O<1>,3|C<3>}	C(N[5a]C[5a]S[5a])(CHHO)(CH3)2	120.5230	0.000	1	120.5135	0.000	2	120.5135	0.000	2	120.5135	0.000	2	120.1466	2.090	19	120.1466	2.090	19
813	181	643	0:SP2_SP2_SP2	N[5a]	S[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(C[6a]C[6a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]S[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	C[6a](N[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	119.3653	0.164	3	119.3653	0.027	3	119.3653	0.027	3	119.3653	0.027	3	119.5140	0.106	4	119.5140	0.106	4
813	181	643	0:SP2_SP2_SP2	N[5a]	S[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Cl)	C[6a](N[5a]C[5a]S[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(S[5a]C[5a]){1|Cl<1>,2|C<3>,3|H<1>}	S[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Cl){1|H<1>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	119.9600	0.000	1	119.9600	0.000	1	119.9600	0.000	1	119.9600	0.000	1	119.5140	0.106	4	119.5140	0.106	4
813	181	727	5:SP2_SP2_SP2	N[5a,6]	S[5a]	C[5a,6]	3:2:3:	3:2:	3:3:3:	C[5a,6]-3:S[5a]-2:C[6]-3:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a]C[6])(S[5a]N[5a])(C[6]C[6]H)	S[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	C[5a,6](N[5a,6]S[5a]C[6])(C[5a]N[5a]N)(C[6]C[6]H)	N[5a,6](C[5a,6]C[5a]C[6])(S[5a]N[5a])(C[6]C[6]H){1|C<3>,1|N<3>,2|H<1>}	S[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]S[5a]C[6])(C[5a]N[5a]N)(C[6]C[6]H){1|C<3>,2|H<1>}	111.0490	0.000	1	111.0490	0.000	1	111.0490	0.000	1	111.0490	0.000	1	111.0490	0.000	1	115.7082	1.679	32
813	181	727	5:SP2_SP2_SP2	N[5a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]S[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CCH){1|H<1>,1|O<1>,2|C<3>}	S[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]S[5a]C){1|C<3>,1|O<1>,2|H<1>}	112.1020	0.000	1	112.1020	0.000	1	112.1020	0.000	1	112.1020	0.000	1	112.1020	0.000	1	115.7082	1.679	32
813	181	727	5:SP2_SP2_SP2	N[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]H)(O)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]H)(O){1|H<1>,2|C<3>}	116.5370	0.390	2	116.5370	0.152	2	116.5370	0.152	2	116.5370	0.152	2	115.9837	0.519	30	115.7082	1.679	32
813	181	727	5:SP2_SP2_SP2	N[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(COO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(COO){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	115.8725	0.138	4	115.8725	0.019	4	115.8725	0.019	4	116.1688	0.302	8	115.9837	0.519	30	115.7082	1.679	32
813	181	727	5:SP2_SP2_SP2	N[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(C[6a]C[6a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]S[5a])(O)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]S[5a])(O){1|H<1>,4|C<3>}	116.1667	0.380	3	116.1667	0.144	3	116.1667	0.144	3	116.1688	0.302	8	115.9837	0.519	30	115.7082	1.679	32
813	181	727	5:SP2_SP2_SP2	N[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:N-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(NHS)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]N)(O)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(NHS){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]N)(O){1|H<1>,2|C<3>}	117.3600	0.000	1	117.3600	0.000	1	117.3600	0.000	1	116.1688	0.302	8	115.9837	0.519	30	115.7082	1.679	32
813	181	727	5:SP2_SP2_SP2	N[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC3)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC3){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	115.1910	0.000	1	115.3090	0.028	2	116.0620	0.540	16	115.8914	0.614	19	115.9837	0.519	30	115.7082	1.679	32
813	181	727	5:SP2_SP2_SP2	N[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC3)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC3){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	115.4270	0.000	1	115.3090	0.028	2	116.0620	0.540	16	115.8914	0.614	19	115.9837	0.519	30	115.7082	1.679	32
813	181	727	5:SP2_SP2_SP2	N[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CCHH)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CCHH){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	116.5930	0.000	1	116.5930	0.000	1	116.0620	0.540	16	115.8914	0.614	19	115.9837	0.519	30	115.7082	1.679	32
813	181	727	5:SP2_SP2_SP2	N[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[5a]CC)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[5a]CC){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	115.4578	0.179	4	115.4578	0.032	4	116.0620	0.540	16	115.8914	0.614	19	115.9837	0.519	30	115.7082	1.679	32
813	181	727	5:SP2_SP2_SP2	N[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]CC)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]CC){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	115.1360	0.000	1	115.1360	0.000	1	116.0620	0.540	16	115.8914	0.614	19	115.9837	0.519	30	115.7082	1.679	32
813	181	727	5:SP2_SP2_SP2	N[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]HH)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	116.8340	0.000	1	116.8340	0.000	1	116.0620	0.540	16	115.8914	0.614	19	115.9837	0.519	30	115.7082	1.679	32
813	181	727	5:SP2_SP2_SP2	N[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHN)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHN){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	116.2920	0.000	1	116.2920	0.000	1	116.0620	0.540	16	115.8914	0.614	19	115.9837	0.519	30	115.7082	1.679	32
813	181	727	5:SP2_SP2_SP2	N[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHO){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	116.0850	0.000	1	116.0850	0.000	1	116.0620	0.540	16	115.8914	0.614	19	115.9837	0.519	30	115.7082	1.679	32
813	181	727	5:SP2_SP2_SP2	N[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CN[6]HH)	S[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CN[6]HH){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C){1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|C<3>,1|C<4>,1|N<2>}	116.7206	0.596	5	116.7206	0.355	5	116.0620	0.540	16	115.8914	0.614	19	115.9837	0.519	30	115.7082	1.679	32
813	181	727	5:SP2_SP2_SP2	N[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]Cl)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]S[5a]C)(O)	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(CH3){1|Cl<1>,1|H<1>}	S[5a](C[5a]C[5a]Cl)(N[5a]C[5a]C){1|H<1>,1|O<1>}	C[5a](C[5a]C[5a]H)(N[5a]S[5a]C)(O){1|Cl<1>}	114.9700	0.078	2	114.9700	0.006	2	114.9813	0.003	3	115.8914	0.614	19	115.9837	0.519	30	115.7082	1.679	32
813	181	727	5:SP2_SP2_SP2	N[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]S[5a]C)(O)	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(CH3){1|C<2>,1|N<2>}	S[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<2>,1|O<1>}	C[5a](C[5a]C[5a]C)(N[5a]S[5a]C)(O){1|N<2>}	115.0040	0.000	1	115.0040	0.000	1	114.9813	0.003	3	115.8914	0.614	19	115.9837	0.519	30	115.7082	1.679	32
813	181	727	5:SP2_SP2_SP2	N[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Cl)	C[5a](N[5a]C[6a]S[5a])(C[5a]C[5a]H)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(S[5a]C[5a]){1|Cl<1>,2|C<3>,3|H<1>}	S[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Cl){1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]S[5a])(C[5a]C[5a]H)(O){1|Cl<1>,2|C<3>}	115.1510	0.000	1	115.1510	0.000	1	115.1510	0.000	1	115.1510	0.000	1	115.9837	0.519	30	115.7082	1.679	32
813	181	727	5:SP3_SP2_SP2	N[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]S[5a]H)(O)	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(H){1|C<2>,1|N<3>}	S[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<2>,1|O<1>}	C[5a](C[5a]C[5a]C)(N[5a]S[5a]H)(O){1|N<3>}	114.8300	0.000	1	114.8300	0.000	1	114.8300	0.000	1	114.8300	0.000	1	115.7560	1.715	2	115.7560	1.715	2
813	181	727	5:SP3_SP2_SP2	N[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:N-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(NSS)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]N)(O)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(NSS){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]N)(O){1|H<1>,2|C<3>}	116.6820	0.000	1	116.6820	0.000	1	116.6820	0.000	1	116.6820	0.000	1	115.7560	1.715	2	115.7560	1.715	2
813	181	762	0:SP2_SP2_SP2	N[5a,6]	S[5a]	C[6]	3:2:3:	3:2:	3:3:1:	C[5a,6]-3:S[5a]-2:C[6]-3:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]C[5a]C[6])(S[5a]N[5a])(C[6]C[6]H)	S[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(S[5a]N[5a])(C[6]C[6]H){1|C<3>,1|N<3>,2|H<1>}	S[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6](N[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	126.4580	0.000	1	126.4580	0.000	1	126.4580	0.000	1	126.4580	0.000	1	126.4580	0.000	1	126.4580	0.000	1
813	181	930	0:SP2_SP2_SP2	N[5a]	S[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:O-2:O-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(COO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C(N[5a]C[5a]S[5a])(OC)(O)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(COO){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C(N[5a]C[5a]S[5a])(OC)(O)	115.4548	2.735	4	115.4548	7.481	4	115.4548	7.481	4	115.4548	7.481	4	116.9084	16.177	5	116.9084	16.177	5
813	181	930	0:SP2_SP2_SP2	N[5a]	S[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:S[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)	C(N[5a]C[5a,6a]S[5a])(CC[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CCH){1|H<1>,1|O<1>,2|C<3>}	S[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C){2|C<3>}	C(N[5a]C[5a,6a]S[5a])(CC[6a]2)(H)	122.7230	0.000	1	122.7230	0.000	1	122.7230	0.000	1	122.7230	0.000	1	116.9084	16.177	5	116.9084	16.177	5
813	181	951	0:SP2_SP-NON_SP2	N[5a]	S[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]S[5a])	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	H(N[5a]C[5a]S[5a])	121.7230	0.180	2	121.7230	0.032	2	121.7230	0.032	2	121.7230	0.032	2	121.7230	0.032	2	121.7230	0.032	2
813	181	951	0:SP3_SP-NON_SP2	N[5a]	S[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]S[5a])	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(H){1|C<2>,1|N<3>}	S[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<2>,1|O<1>}	H(N[5a]C[5a]S[5a])	117.0670	0.000	1	117.0670	0.000	1	117.0670	0.000	1	117.0670	0.000	1	117.0670	0.000	1	117.0670	0.000	1
813	181	956	0:SP2_SP2_SP3	N[5a]	S[5a]	N	3:2:3:	3:3:	3:4:1:	C[5a]-3:S[5a]-2:N-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:S-4:H-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(NHS)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N)	N(N[5a]C[5a]S[5a])(SC[6a]OO)(H)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(NHS){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N){1|H<1>,1|O<1>,2|C<3>}	N(N[5a]C[5a]S[5a])(SC[6a]OO)(H)	119.2550	0.000	1	119.2550	0.000	1	119.2550	0.000	1	119.2550	0.000	1	119.2550	0.000	1	119.2550	0.000	1
813	181	956	0:SP3_SP2_SP2	N[5a]	S[5a]	N	3:2:3:	3:3:	3:4:4:	C[5a]-3:S[5a]-2:N-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:S-4:S-4:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(NSS)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N)	N(N[5a]C[5a]S[5a])(SC[6a]OO)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(NSS){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N){1|H<1>,1|O<1>,2|C<3>}	N(N[5a]C[5a]S[5a])(SC[6a]OO)2	117.9760	0.000	1	117.9760	0.000	1	117.9760	0.000	1	117.9760	0.000	1	117.9760	0.000	1	117.9760	0.000	1
813	206	519	0:SP2_SP1_SP2	N[5a,6]	C[6]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6]-3:N[5a]-2:C[6]-2:	N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]){1|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|C<3>,1|C<4>,2|N<2>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<3>,1|N<2>}	132.1600	0.000	1	132.1600	0.000	1	132.1600	0.000	1	132.1600	0.000	1	132.1600	0.000	1	132.1600	0.000	1
813	206	727	6:SP2_SP1_SP2	N[5a,6]	C[6]	C[5a,6]	3:2:2:	3:3:	3:2:2:	C[5a,6]-3:N[5a]-2:C[6]-2:	N[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:N[6]-2:	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]){1|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|C<3>,1|C<4>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	119.9950	0.000	1	119.9950	0.000	1	119.9950	0.000	1	119.9950	0.000	1	119.9950	0.000	1	119.9950	0.000	1
813	210	727	0:SP2_SP1_SP2	N[5a]	Ge	C[5a]	3:3:2:	3:1:	3:3:4:	C[5a]-3:C[5a]-3:Ge-2:	N[5a]-3:Cl-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(GeCl)	Ge(N[5a]C[5a]2)(Cl)	C[5a](N[5a]C[5a]Ge)(C[5a]C[5a]H)(CN[5]HH)	N[5a](C[5a]C[5a]C)2(GeCl){2|H<1>}	Ge(N[5a]C[5a]2)(Cl)	C[5a](N[5a]C[5a]Ge)(C[5a]C[5a]H)(CN[5]HH){1|C<4>,1|H<1>}	125.4910	0.569	2	125.4910	0.323	2	125.4910	0.323	2	125.4910	0.323	2	125.4910	0.323	2	125.4910	0.323	2
813	217	727	0:SP2_SP2_SP2	N[5a]	N[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[6a]C[6a]2)	N[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	N[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[6a])(N[6a]C[6a]){3|C<3>,4|H<1>}	122.7260	0.123	2	122.7260	0.015	2	122.7260	0.015	2	122.7260	0.015	2	122.7260	0.015	2	123.9802	2.446	4
813	217	727	0:SP2_SP2_SP2	N[5a]	N[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[6a]C[6a]2)	N[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	N[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[5a](N[5a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	125.2345	1.015	2	125.2345	1.030	2	125.2345	1.030	2	125.2345	1.030	2	125.2345	1.030	2	123.9802	2.446	4
813	218	727	6:SP2_SP2_SPD6	N[5a,6,6]	Ge[4x6]	C[5a,6]	6:3:3:	3:3:3:3:1:1:	3:3:2:	Ge[4x6]-6:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:Cl-1:Cl-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6](Ge[4x6]N[5a,6,6]3Cl2)(C[5a,6]C[5a,6a]N[6])2	Ge[4x6](N[5a,6,6]C[5a,6]2)4(Cl)2	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[5a,6,6](Ge[4x6]N[5a,6,6]3Cl2)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	Ge[4x6](N[5a,6,6]C[5a,6]2)4(Cl)2{4|N<2>,8|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){2|Cl<1>,1|H<1>,1|N<2>,3|C<3>,3|N<3>}	125.8287	0.285	4	125.8287	0.081	4	125.8287	0.081	4	125.6445	0.095	12	125.6784	0.188	16	125.6784	0.188	16
813	218	727	6:SP2_SP2_SPD6	N[5a,6,6]	Ge[4x6]	C[5a,6]	6:3:3:	3:3:3:3:1:1:	3:3:2:	Ge[4x6]-6:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:I-1:I-1:	N[5a,6,6]-3:C[5a,6]-3:N[6]-2:	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6]N[6])2	Ge[4x6](N[5a,6,6]C[5a,6]2)4(I)2	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6])	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6]N[6])2{8|C<3>}	Ge[4x6](N[5a,6,6]C[5a,6]2)4(I)2{4|N<2>,8|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6]){1|C<2>,1|H<1>,1|N<2>,2|C<3>,2|I<1>,3|N<3>}	125.3880	0.000	1	125.6715	0.161	2	125.6715	0.161	2	125.6445	0.095	12	125.6784	0.188	16	125.6784	0.188	16
813	218	727	6:SP2_SP2_SPD6	N[5a,6,6]	Ge[4x6]	C[5a,6]	6:3:3:	3:3:3:3:1:1:	3:3:2:	Ge[4x6]-6:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:I-1:I-1:	N[5a,6,6]-3:C[5a,6]-3:N[6]-2:	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6]N[6])2	Ge[4x6](N[5a,6,6]C[5a,6]2)4(I)2	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6])	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6]N[6])2{8|C<3>}	Ge[4x6](N[5a,6,6]C[5a,6]2)4(I)2{4|N<2>,8|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|I<1>,3|C<3>,3|N<3>}	125.9550	0.000	1	125.6715	0.161	2	125.6715	0.161	2	125.6445	0.095	12	125.6784	0.188	16	125.6784	0.188	16
813	218	727	6:SP2_SP2_SPD6	N[5a,6,6]	Ge[4x6]	C[5a,6]	6:3:3:	3:3:3:3:1:1:	3:3:2:	Ge[4x6]-6:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:I-1:I-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6a]N[6])2	Ge[4x6](N[5a,6,6]C[5a,6]2)4(I)2	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	Ge[4x6](N[5a,6,6]C[5a,6]2)4(I)2{4|N<2>,8|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|I<1>,3|C<3>,3|N<3>}	125.5127	0.282	6	125.5127	0.080	6	125.5127	0.080	6	125.6445	0.095	12	125.6784	0.188	16	125.6784	0.188	16
813	218	727	6:SP2_SP2_SPD6	N[5a,6,6]	Ge[4x6]	C[5a,6]	6:3:3:	3:3:3:3:3:3:	3:3:2:	Ge[4x6]-6:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[6]-3:N[6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6]2)(C[5a,6]C[5a,6a]N[6])2	Ge[4x6](N[5a,6,6]C[5a,6]2)4(N[6]C[6]2)2	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6]2)(C[5a,6]C[5a,6a]N[6])2{12|C<3>}	Ge[4x6](N[5a,6,6]C[5a,6]2)4(N[6]C[6]2)2{12|C<3>,4|H<1>,4|N<2>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,3|C<3>,5|N<3>}	125.7802	0.759	4	125.7802	0.576	4	125.7802	0.576	4	125.7802	0.576	4	125.6784	0.188	16	125.6784	0.188	16
813	242	727	6:SP2_SP2_SPD5	N[5a,6,6]	Ge[3x6]	C[5a,6]	5:3:3:	3:3:2:2:1:	3:3:3:	Ge[3x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:Cl-1:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	N[5a,6,6](Ge[3x6]N[5a,6,6]O[6]2Cl)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	Ge[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(Cl)	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	N[5a,6,6](Ge[3x6]N[5a,6,6]O[6]2Cl)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	Ge[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(Cl){9|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	124.1492	1.384	4	124.1492	1.915	4	124.1492	1.915	4	125.6891	5.045	8	125.4836	5.435	12	125.7562	3.530	20
813	242	727	6:SP2_SP2_SPD5	N[5a,6,6]	Ge[3x6]	C[5a,6]	5:3:3:	3:3:2:2:1:	3:3:3:	Ge[3x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:Cl-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](Ge[3x6]N[5a,6,6]O[6]2Cl)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	Ge[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(Cl)	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5a,6,6](Ge[3x6]N[5a,6,6]O[6]2Cl)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	Ge[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(Cl){9|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|H<1>,1|N<3>,2|O<2>,4|C<3>}	127.2290	1.879	4	127.2290	3.532	4	127.2290	3.532	4	125.6891	5.045	8	125.4836	5.435	12	125.7562	3.530	20
813	242	727	6:SP2_SP2_SPD5	N[5a,6,6]	Ge[3x6]	C[5a,6]	5:3:3:	3:3:3:2:2:	3:3:3:	Ge[3x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	N[5a,6,6](Ge[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	Ge[3x6](N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)(O[6]C[6,6a])2	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	N[5a,6,6](Ge[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	Ge[3x6](N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)(O[6]C[6,6a])2{11|C<3>,2|H<1>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	123.7270	3.939	2	123.7270	15.512	2	123.7270	15.512	2	125.0725	7.819	4	125.4836	5.435	12	125.7562	3.530	20
813	242	727	6:SP2_SP2_SPD5	N[5a,6,6]	Ge[3x6]	C[5a,6]	5:3:3:	3:3:3:2:2:	3:3:3:	Ge[3x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](Ge[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	Ge[3x6](N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)(O[6]C[6,6a])2	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5a,6,6](Ge[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	Ge[3x6](N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)(O[6]C[6,6a])2{11|C<3>,2|H<1>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<2>,5|C<3>}	126.4180	0.839	2	126.4180	0.703	2	126.4180	0.703	2	125.0725	7.819	4	125.4836	5.435	12	125.7562	3.530	20
813	242	727	6:SP2_SP2_SPD5	N[5a,6,6]	Ge[4x6]	C[5a,6]	5:3:3:	3:3:3:3:3:	3:3:3:	Ge[4x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[6]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6])(C[5a,6]C[5a]C[6])2	Ge[4x6](N[5a,6,6]C[5a,6]2)4(N[6]C[6]2)	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	Ge[4x6](N[5a,6,6]C[5a,6]2)4(N[6]C[6]2){14|C<3>,2|H<1>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,4|C<3>,4|N<3>}	126.1650	0.850	8	126.1650	0.722	8	126.1650	0.722	8	126.1650	0.722	8	126.1650	0.722	8	125.7562	3.530	20
813	254	727	6:SP2_SP2_SP3	N[5a,6,6]	Ge[4x6]	C[5a,6]	3:3:4:	3:3:3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:Ge[4x6]-4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(Ge[4x6]N[5a,6,6]3)	Ge[4x6](N[5a,6,6]C[5a,6]2)4	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(Ge[4x6]N[5a,6,6]3){8|C<3>}	Ge[4x6](N[5a,6,6]C[5a,6]2)4{4|N<2>,8|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,3|C<3>,3|N<3>}	125.0228	1.126	4	125.0228	1.267	4	125.0228	1.267	4	125.0228	1.267	4	125.0228	1.267	4	125.0228	1.267	4
813	310	519	0:SP2_SP2_SP3	N[5a]	Ge	N[5a]	3:2:4:	3:3:3:3:	3:3:	C[5a]-3:N[5a]-2:Ge-4:	N[5a]-3:N[5a]-3:N-3:N-3:	N[5a]-3:C[5a]-3:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(GeN[5a]NN)	Ge(N[5a]C[5a]N[5a])2(NSi2)2	N[5a](N[5a]C[5a]Ge)(C[5a]N[5a]O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(GeN[5a]NN){1|C<3>,1|O<2>}	Ge(N[5a]C[5a]N[5a])2(NSi2)2	N[5a](N[5a]C[5a]Ge)(C[5a]N[5a]O){1|C<3>,1|O<1>}	118.1850	4.434	2	118.1850	19.656	2	118.1850	19.656	2	118.1850	19.656	2	118.1850	19.656	2	118.1850	19.656	2
813	310	727	0:SP2_SP2_SP3	N[5a]	Ge	C[5a]	3:2:4:	3:3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:Ge-4:	N[5a]-3:N[5a]-3:N-3:N-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(GeN[5a]NN)	Ge(N[5a]C[5a]N[5a])2(NSi2)2	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]Ge)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(GeN[5a]NN){1|C<3>,1|O<2>}	Ge(N[5a]C[5a]N[5a])2(NSi2)2	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]Ge)(O){1|O<2>,2|C<3>}	128.9150	3.442	2	128.9150	11.849	2	128.9150	11.849	2	128.9150	11.849	2	128.9150	11.849	2	128.9150	11.849	2
813	314	727	0:SP2_SP1_SP2	N[5a,6]	Ge[6]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a,6]-3:Ge[6]-2:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6](C[5a,6]C[5a]C[6])(Ge[6]N[5a,6])(C[5a]C[5a]C)	Ge[6](N[5a,6]C[5a,6]C[5a])2	C[5a](N[5a,6]C[5a,6]Ge[6])(C[5a]C[5a]H)(CHHP)	N[5a,6](C[5a,6]C[5a]C[6])(Ge[6]N[5a,6])(C[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	Ge[6](N[5a,6]C[5a,6]C[5a])2{3|C<4>,4|C<3>}	C[5a](N[5a,6]C[5a,6]Ge[6])(C[5a]C[5a]H)(CHHP){1|C<4>,1|H<1>,1|N<3>}	125.4140	3.151	2	125.4140	9.928	2	125.4140	9.928	2	125.4140	9.928	2	125.4140	9.928	2	125.4140	9.928	2
813	314	727	6:SP2_SP1_SP2	N[5a,6]	Ge[6]	C[5a,6]	3:2:3:	3:3:	3:4:3:	C[5a,6]-3:Ge[6]-2:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[5a,6]C[5a]C[6])(Ge[6]N[5a,6])(C[5a]C[5a]C)	Ge[6](N[5a,6]C[5a,6]C[5a])2	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(Ge[6]N[5a,6])(C[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	Ge[6](N[5a,6]C[5a,6]C[5a])2{3|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	126.1715	2.394	2	126.1715	5.729	2	126.1715	5.729	2	126.1715	5.729	2	126.1715	5.729	2	126.1715	5.729	2
813	338	727	6:SP2_SP2_SPD5	N[5a,6,6]	Ga[3x6]	C[5a,6]	5:3:3:	3:3:2:2:3:	3:3:3:	Ga[3x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:N[6]-3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	N[5a,6,6](Ga[3x6]N[5a,6,6]N[6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	Ga[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(N[6]C[6]2)	C[5a,6](N[5a,6,6]C[5a,6]Ga[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	N[5a,6,6](Ga[3x6]N[5a,6,6]N[6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	Ga[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(N[6]C[6]2){11|C<3>,2|H<1>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){2|H<1>,2|N<3>,2|O<2>,3|C<3>}	125.2040	0.508	2	125.2040	0.258	2	125.2040	0.258	2	125.5588	0.260	4	125.5588	0.260	4	125.8904	1.400	44
813	338	727	6:SP2_SP2_SPD5	N[5a,6,6]	Ga[3x6]	C[5a,6]	5:3:3:	3:3:2:2:3:	3:3:3:	Ga[3x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:N[6]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](Ga[3x6]N[5a,6,6]N[6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	Ga[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(N[6]C[6]2)	C[5a,6](N[5a,6,6]C[5a,6]Ga[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5a,6,6](Ga[3x6]N[5a,6,6]N[6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	Ga[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(N[6]C[6]2){11|C<3>,2|H<1>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,2|O<2>,4|C<3>}	125.9135	0.141	2	125.9135	0.020	2	125.9135	0.020	2	125.5588	0.260	4	125.5588	0.260	4	125.8904	1.400	44
813	338	727	6:SP2_SP2_SPD5	N[5a,6,6]	Ga[4x6]	C[5a,6]	5:3:3:	3:3:3:3:1:	3:3:2:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:Cl-1:	N[5a,6,6]-3:C[5a,5a]-3:N[6]-2:	N[5a,6,6](Ga[4x6]N[5a,6,6]3Cl)(C[5a,6]C[5a,5a]N[6])2	Ga[4x6](N[5a,6,6]C[5a,6]2)4(Cl)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[5a,5a]C[5a,5a]N[5a])(N[6]C[5a,6])	N[5a,6,6](Ga[4x6]N[5a,6,6]3Cl)(C[5a,6]C[5a,5a]N[6])2{2|N<2>,6|C<3>}	Ga[4x6](N[5a,6,6]C[5a,6]2)4(Cl){4|N<2>,8|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[5a,5a]C[5a,5a]N[5a])(N[6]C[5a,6]){1|Cl<1>,1|C<3>,1|S<2>,2|N<2>,3|N<3>}	124.7414	0.806	16	124.7414	0.650	16	124.7414	0.650	16	124.7414	0.650	16	125.9236	1.511	40	125.8904	1.400	44
813	338	727	6:SP2_SP2_SPD5	N[5a,6,6]	Ga[4x6]	C[5a,6]	5:3:3:	3:3:3:3:2:	3:3:3:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OC)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OC){12|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	126.7712	0.528	8	126.7712	0.279	8	126.7116	0.519	24	126.7116	0.519	24	125.9236	1.511	40	125.8904	1.400	44
813	338	727	6:SP2_SP2_SPD5	N[5a,6,6]	Ga[4x6]	C[5a,6]	5:3:3:	3:3:3:3:2:	3:3:3:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OC)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{1|C<4>,2|H<1>,7|C<3>}	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OC){12|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,3|N<3>}	126.3245	0.853	2	126.7424	0.724	8	126.7116	0.519	24	126.7116	0.519	24	125.9236	1.511	40	125.8904	1.400	44
813	338	727	6:SP2_SP2_SPD5	N[5a,6,6]	Ga[4x6]	C[5a,6]	5:3:3:	3:3:3:3:2:	3:3:3:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OC)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{1|C<4>,2|H<1>,7|C<3>}	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OC){12|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|O<2>,3|C<3>,3|N<3>}	126.7835	0.798	2	126.7424	0.724	8	126.7116	0.519	24	126.7116	0.519	24	125.9236	1.511	40	125.8904	1.400	44
813	338	727	6:SP2_SP2_SPD5	N[5a,6,6]	Ga[4x6]	C[5a,6]	5:3:3:	3:3:3:3:2:	3:3:3:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OC)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{2|C<4>,2|H<1>,6|C<3>}	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OC){12|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,3|N<3>}	126.9308	1.034	4	126.7424	0.724	8	126.7116	0.519	24	126.7116	0.519	24	125.9236	1.511	40	125.8904	1.400	44
813	338	727	6:SP2_SP2_SPD5	N[5a,6,6]	Ga[4x6]	C[5a,6]	5:3:3:	3:3:3:3:2:	3:3:3:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OP)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{1|P<4>,2|H<1>,7|C<3>}	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OP){12|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	126.1215	0.186	2	126.8960	0.813	4	126.7116	0.519	24	126.7116	0.519	24	125.9236	1.511	40	125.8904	1.400	44
813	338	727	6:SP2_SP2_SPD5	N[5a,6,6]	Ga[4x6]	C[5a,6]	5:3:3:	3:3:3:3:2:	3:3:3:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OP)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{3|H<1>,7|C<3>}	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OP){12|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	127.6705	0.070	2	126.8960	0.813	4	126.7116	0.519	24	126.7116	0.519	24	125.9236	1.511	40	125.8904	1.400	44
813	338	727	6:SP2_SP2_SPD5	N[5a,6,6]	Ga[4x6]	C[5a,6]	5:3:3:	3:3:3:3:2:	3:3:3:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OP)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{3|H<1>,7|C<3>}	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OP){12|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>,3|N<3>}	125.6855	0.091	2	125.6855	0.008	2	126.7116	0.519	24	126.7116	0.519	24	125.9236	1.511	40	125.8904	1.400	44
813	338	727	6:SP2_SP2_SPD5	N[5a,6,6]	Ga[4x6]	C[5a,6]	5:3:3:	3:3:3:3:2:	3:3:3:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OP)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]P)(C[5a]C[5a]H)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{1|P<4>,2|H<1>,7|C<3>}	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OP){12|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]P)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>,3|N<3>}	127.0075	0.054	2	127.0075	0.003	2	126.7116	0.519	24	126.7116	0.519	24	125.9236	1.511	40	125.8904	1.400	44
813	371	474	0:SP2_SP2_SP3	N[5,6a]	N[6a]	C[5]	3:4:2:	3:3:	3:4:1:1:	C[5,6a]-3:C[5]-4:N[6a]-2:	N[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a](C[5,6a]N[6a]S[5])(C[5]C[5]HH)(N[6a]C[6a])	N[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](N[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2	N[5,6a](C[5,6a]N[6a]S[5])(C[5]C[5]HH)(N[6a]C[6a]){2|C<3>,2|H<1>}	N[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5](N[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2{1|C<3>,1|N<2>}	119.3235	0.025	2	119.3235	0.001	2	119.3235	0.001	2	119.3235	0.001	2	119.3235	0.001	2	119.3235	0.001	2
813	371	486	0:SP2_SP2_SP3	N[5,6a]	N[6a]	C[3,5]	3:4:2:	3:3:	3:4:4:4:	C[5,6a]-3:C[3,5]-4:N[6a]-2:	N[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-4:C[3]-4:C[3]-4:	N[5,6a](C[5,6a]C[6a,6a]O[5])(C[3,5]C[3]2C[5])(N[6a]C[6a])	N[6a](N[5,6a]C[5,6a]C[3,5])(C[6a]C[6a,6a]O)	C[3,5](N[5,6a]C[5,6a]N[6a])(C[5]C[6a]2O[5])(C[3]C[3]HH)2	N[5,6a](C[5,6a]C[6a,6a]O[5])(C[3,5]C[3]2C[5])(N[6a]C[6a]){1|O<1>,4|C<3>,4|H<1>}	N[6a](N[5,6a]C[5,6a]C[3,5])(C[6a]C[6a,6a]O){1|O<2>,2|C<3>,3|C<4>}	C[3,5](N[5,6a]C[5,6a]N[6a])(C[5]C[6a]2O[5])(C[3]C[3]HH)2{6|C<3>}	120.3350	0.000	1	120.3350	0.000	1	120.3350	0.000	1	120.3350	0.000	1	120.3350	0.000	1	120.3350	0.000	1
813	371	519	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	N[5a]	3:2:2:	3:2:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a])(N[6a]N[6a])	N[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]N[5a,6a])	N[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a])(N[6a]N[6a]){1|C<3>,3|N<3>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]N[5a,6a]){1|N<2>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N){1|C<3>,1|N<2>,1|N<3>}	116.8525	0.694	2	116.8525	0.481	2	116.8525	0.481	2	116.8525	0.481	2	121.2540	6.252	12	121.2540	6.252	12
813	371	519	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	N[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){1|C<3>,1|C<4>,2|N<2>}	N[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]){2|C<3>}	122.7700	0.000	1	121.5122	0.650	6	122.3672	2.113	9	122.3672	2.113	9	121.2540	6.252	12	121.2540	6.252	12
813	371	519	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	N[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a]){1|C<3>,2|N<3>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){1|C<3>,1|N<3>,2|N<2>}	N[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]){2|C<3>}	121.2606	0.581	5	121.5122	0.650	6	122.3672	2.113	9	122.3672	2.113	9	121.2540	6.252	12	121.2540	6.252	12
813	371	519	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])	N[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a])(N[6a]C[6a]){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a]){2|N<3>,4|N<2>}	N[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]){1|C<3>,1|N<2>}	124.4910	0.000	1	124.4910	0.000	1	122.3672	2.113	9	122.3672	2.113	9	121.2540	6.252	12	121.2540	6.252	12
813	371	519	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	N[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a])(N[6a]C[6a]){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|N<3>,3|N<2>}	N[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]){1|C<3>,1|N<2>}	124.2170	0.000	1	124.2170	0.000	1	122.3672	2.113	9	122.3672	2.113	9	121.2540	6.252	12	121.2540	6.252	12
813	371	519	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])	N[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a])(N[6a]C[6a]){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5]){1|N<3>,5|N<2>}	N[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]){1|C<3>,1|N<2>}	123.5240	0.000	1	123.5240	0.000	1	122.3672	2.113	9	122.3672	2.113	9	121.2540	6.252	12	121.2540	6.252	12
813	371	519	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|F<1>,2|C<3>,2|H<1>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|F<1>,4|C<3>}	120.0380	0.000	1	120.0380	0.000	1	120.0380	0.000	1	120.0380	0.000	1	121.2540	6.252	12	121.2540	6.252	12
813	371	679	6:SP2_SP2_SP3	N[5,6a]	N[6a]	B[5,6a]	4:2:3:	3:3:	3:3:4:2:	B[5,6a]-4:N[6a]-2:C[5]-3:	N[5,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]C)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]C){1|C<4>,1|N<4>,1|O<1>,1|O<2>,2|C<3>}	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH){1|O<1>,3|C<3>,3|H<1>}	122.7940	0.000	1	122.7940	0.000	1	124.1857	1.129	4	124.1857	1.129	4	123.9800	1.058	5	123.9800	1.058	5
813	371	679	6:SP2_SP2_SP3	N[5,6a]	N[6a]	B[5,6a]	4:2:3:	3:3:	3:3:4:2:	B[5,6a]-4:N[6a]-2:C[5]-3:	N[5,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]CC)(OH)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]H){1|C<4>,1|N<4>,1|O<1>,1|O<2>,2|C<3>}	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]CC)(OH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	125.3390	0.000	1	125.3390	0.000	1	124.1857	1.129	4	124.1857	1.129	4	123.9800	1.058	5	123.9800	1.058	5
813	371	679	6:SP2_SP2_SP3	N[5,6a]	N[6a]	B[5,6a]	4:2:3:	3:3:	3:3:4:2:	B[5,6a]-4:N[6a]-2:C[5]-3:	N[5,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]H){1|C<4>,1|N<4>,1|O<1>,1|O<2>,2|C<3>}	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	124.0910	0.000	1	124.3050	0.092	2	124.1857	1.129	4	124.1857	1.129	4	123.9800	1.058	5	123.9800	1.058	5
813	371	679	6:SP2_SP2_SP3	N[5,6a]	N[6a]	B[5,6a]	4:2:3:	3:3:	3:3:4:2:	B[5,6a]-4:N[6a]-2:C[5]-3:	N[5,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){2|C<3>,5|H<1>}	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]H){1|C<4>,1|N<4>,1|O<1>,1|O<2>,2|C<3>}	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH){1|O<1>,3|C<3>,3|H<1>}	124.5190	0.000	1	124.3050	0.092	2	124.1857	1.129	4	124.1857	1.129	4	123.9800	1.058	5	123.9800	1.058	5
813	371	679	6:SP2_SP2_SP3	N[5,6a]	N[6a]	B[5,6a]	4:3:2:	3:3:	3:3:3:2:	B[5,6a]-4:C[5]-3:N[6a]-2:	N[5,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5,6]-3:N[5,6a]-3:O-2:	N[5,6a](B[5,6a]C[6a,6a]N[5,6]O)(C[5]C[5,6]O)(N[6a]C[6a])	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6]C[5,6]C[6])(N[5,6a]N[6a]C[5])(OH)	N[5,6a](B[5,6a]C[6a,6a]N[5,6]O)(C[5]C[5,6]O)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]H){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6]C[5,6]C[6])(N[5,6a]N[6a]C[5])(OH){1|O<1>,2|H<1>,5|C<3>}	123.1570	0.000	1	123.1570	0.000	1	123.1570	0.000	1	123.1570	0.000	1	123.9800	1.058	5	123.9800	1.058	5
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H){5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	122.0200	0.000	1	122.0200	0.000	1	124.7025	3.573	4	124.7025	3.573	4	124.7025	3.573	4	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	125.2770	0.716	2	125.5967	0.563	3	124.7025	3.573	4	124.7025	3.573	4	124.7025	3.573	4	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	126.2360	0.000	1	125.5967	0.563	3	124.7025	3.573	4	124.7025	3.573	4	124.7025	3.573	4	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(N[6a]N[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(N[6a]N[6a]){1|H<1>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){1|C<3>,1|N<2>}	124.0700	0.000	1	124.0700	0.000	1	124.0700	0.000	1	124.0700	0.000	1	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:Cl-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Cl)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(Cl)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Cl)(N[6a]C[6a]){1|N<2>,1|N<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|Cl<1>,3|N<2>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(Cl){1|C<3>,1|N<2>}	129.9930	0.000	1	129.9930	0.000	1	129.9930	0.000	1	128.9193	1.937	27	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N){1|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H){2|C<3>}	128.0426	1.086	14	128.0426	1.179	14	128.8780	1.966	26	128.9193	1.937	27	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[5a]){2|C<3>,2|H<1>,3|N<2>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H){2|C<3>}	127.1660	0.000	1	127.1660	0.000	1	128.8780	1.966	26	128.9193	1.937	27	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:H-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){1|H<1>,1|N<2>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|H<1>,3|N<2>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	128.8810	0.000	1	128.8810	0.000	1	128.8780	1.966	26	128.9193	1.937	27	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:H-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){1|N<2>,1|N<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|H<1>,3|N<2>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	130.4962	0.613	6	130.3427	0.363	8	128.8780	1.966	26	128.9193	1.937	27	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:H-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){2|N<2>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|H<1>,3|N<2>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	129.8825	0.316	2	130.3427	0.363	8	128.8780	1.966	26	128.9193	1.937	27	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:H-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){1|N<2>,1|O<1>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O){1|H<1>,3|N<2>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	129.7810	0.000	1	129.7210	0.007	2	128.8780	1.966	26	128.9193	1.937	27	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:H-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){1|N<2>,1|O<2>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O){1|H<1>,3|N<2>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	129.6610	0.000	1	129.7210	0.007	2	128.8780	1.966	26	128.9193	1.937	27	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NN)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|H<1>,1|N<2>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){4|N<2>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NN){1|C<3>,1|N<2>}	129.6510	0.000	1	129.6510	0.000	1	128.9116	0.315	7	128.9116	0.315	7	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NN)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){4|N<2>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NN){1|C<3>,1|N<2>}	129.0077	0.487	3	128.7883	0.251	6	128.9116	0.315	7	128.9116	0.315	7	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NN)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){2|N<2>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){4|N<2>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NN){1|C<3>,1|N<2>}	128.5690	0.496	3	128.7883	0.251	6	128.9116	0.315	7	128.9116	0.315	7	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C-3:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CCH)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H){2|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CCH){2|C<3>}	126.6990	0.000	1	126.6990	0.000	1	126.6990	0.000	1	125.8594	6.766	12	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NCH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a]){2|C<3>,2|C<4>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NCH){1|C<4>,2|C<3>}	122.0420	0.000	1	122.9125	1.516	2	125.7831	7.366	11	125.8594	6.766	12	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NCH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a]){2|C<3>,2|C<4>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NCH){3|C<3>}	123.7830	0.000	1	122.9125	1.516	2	125.7831	7.366	11	125.8594	6.766	12	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NIrC)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|C<3>,3|C<4>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NIrC){1|C<4>,2|C<3>}	123.2475	0.080	2	124.8990	1.980	6	125.7831	7.366	11	125.8594	6.766	12	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NIrC)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a]){2|C<3>,2|C<4>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NIrC){3|C<3>}	125.7248	0.755	4	124.8990	1.980	6	125.7831	7.366	11	125.8594	6.766	12	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N-3:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NHH)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|N<3>,3|N<2>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NHH){1|C<3>,1|N<2>}	129.8230	0.000	1	129.7155	0.023	2	125.7831	7.366	11	125.8594	6.766	12	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N-3:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NHH)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){2|N<2>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|N<3>,3|N<2>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NHH){1|C<3>,1|N<2>}	129.6080	0.000	1	129.7155	0.023	2	125.7831	7.366	11	125.8594	6.766	12	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N-3:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NHH)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|N<2>,1|O<1>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O){1|N<3>,3|N<2>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NHH){1|C<3>,1|N<2>}	128.9640	0.000	1	128.9640	0.000	1	125.7831	7.366	11	125.8594	6.766	12	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C-4:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CClHH)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H){1|C<4>,2|C<3>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CClHH){2|C<3>}	126.0350	0.000	1	126.0350	0.000	1	127.2852	3.408	4	127.2852	3.408	4	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C-4:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H){1|C<4>,2|C<3>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3){2|C<3>}	126.0520	0.000	1	126.0520	0.000	1	127.2852	3.408	4	127.2852	3.408	4	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C-4:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CClHH)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl){1|C<3>,2|C<4>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CClHH){2|C<3>}	127.1030	0.000	1	127.1030	0.000	1	127.2852	3.408	4	127.2852	3.408	4	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C-4:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CF3)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|C<4>,3|N<2>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CF3){1|C<3>,1|N<2>}	129.9510	0.000	1	129.9510	0.000	1	127.2852	3.408	4	127.2852	3.408	4	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]N[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]N[6a]){2|H<1>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	124.2200	0.011	2	124.2200	0.000	2	124.5510	1.146	5	124.5510	1.146	5	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H){3|C<3>}	123.6800	0.000	1	123.6800	0.000	1	124.5510	1.146	5	124.5510	1.146	5	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a]){2|H<1>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	124.2150	0.000	1	124.2150	0.000	1	124.5510	1.146	5	124.5510	1.146	5	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	126.4200	0.000	1	126.4200	0.000	1	124.5510	1.146	5	124.5510	1.146	5	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-2:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CN)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CN){1|H<1>,2|C<3>}	124.4900	0.000	1	124.4900	0.000	1	123.5950	1.602	2	126.2281	3.257	8	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-2:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CN)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H){1|C<2>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CN){1|H<1>,2|C<3>}	122.7000	0.000	1	122.7000	0.000	1	123.5950	1.602	2	126.2281	3.257	8	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H){2|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,4|C<3>}	125.7770	0.000	1	126.9185	0.720	4	127.1058	0.541	6	126.2281	3.257	8	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H){2|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	127.2990	0.459	3	126.9185	0.720	4	127.1058	0.541	6	126.2281	3.257	8	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a]){5|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	127.2300	0.000	1	127.2300	0.000	1	127.1058	0.541	6	126.2281	3.257	8	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl){1|H<1>,2|C<3>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	127.7310	0.000	1	127.7310	0.000	1	127.1058	0.541	6	126.2281	3.257	8	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H){5|C<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(COO){3|C<3>}	121.2080	0.000	1	121.2080	0.000	1	121.2080	0.000	1	125.5240	5.143	6	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	125.8430	0.000	1	125.8430	0.000	1	126.0307	0.896	3	125.5240	5.143	6	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|Cl<1>,2|H<1>,3|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	127.0570	0.000	1	127.0570	0.000	1	126.0307	0.896	3	125.5240	5.143	6	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6]){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	125.1920	0.000	1	125.1920	0.000	1	126.0307	0.896	3	125.5240	5.143	6	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-3:N-3:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]H)(NHH)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<1>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O){2|N<2>,2|N<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]H)(NHH){1|C<3>,1|N<2>}	126.9220	0.785	2	126.9220	0.616	2	126.9220	0.616	2	125.5240	5.143	6	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]S)	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|S<2>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	126.9140	0.000	1	126.9140	0.000	1	126.9140	0.000	1	126.9140	0.000	1	127.2919	5.395	72	127.1556	5.589	76
813	371	727	0:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:4:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]C)(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(N[6a]C[6a]){1|C<2>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]C)(C[5a]C[5a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	125.6520	0.000	1	125.6520	0.000	1	125.6520	0.000	1	125.6520	0.000	1	127.2919	5.395	72	127.1556	5.589	76
813	371	727	6:SP2_SP2_SP2	N[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:2:2:	C[5,6a]-3:N[6a]-2:C[5]-3:	N[5,6a]-3:C[6a]-3:	N[5,6a]-3:N[6a]-2:N[5]-2:	N[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(C[5]N[5]N)	N[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]H)	C[5,6a](N[5,6a]N[6a]C[5])(N[6a]N[6a])(N[5]N[5])	N[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(C[5]N[5]N){1|N<2>,2|H<1>}	N[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]H){1|N<3>,3|N<2>}	C[5,6a](N[5,6a]N[6a]C[5])(N[6a]N[6a])(N[5]N[5]){1|C<3>,1|H<1>,1|N<2>}	123.3320	0.000	1	123.3320	0.000	1	123.6370	0.186	2	123.6370	0.186	2	124.1988	9.259	5	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:2:2:	C[5,6a]-3:N[6a]-2:C[5]-3:	N[5,6a]-3:C[6a]-3:	N[5,6a]-3:N[6a]-2:N[5]-2:	N[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(C[5]N[5]N)	N[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]N)	C[5,6a](N[5,6a]N[6a]C[5])(N[6a]N[6a])(N[5]N[5])	N[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(C[5]N[5]N){1|H<1>,2|N<2>}	N[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]N){1|N<3>,3|N<2>}	C[5,6a](N[5,6a]N[6a]C[5])(N[6a]N[6a])(N[5]N[5]){1|C<3>,1|H<1>,1|N<2>}	123.9420	0.000	1	123.9420	0.000	1	123.6370	0.186	2	123.6370	0.186	2	124.1988	9.259	5	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5,6a]	N[6a]	C[5,6a]	3:4:2:	3:3:	3:2:2:	C[5,6a]-3:C[5]-4:N[6a]-2:	N[5,6a]-3:C[6a]-3:	N[5,6a]-3:N[6a]-2:S[5]-2:	N[5,6a](C[5,6a]N[6a]S[5])(C[5]C[5]HH)(N[6a]C[6a])	N[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](N[5,6a]N[6a]C[5])(N[6a]C[6a])(S[5]C[5])	N[5,6a](C[5,6a]N[6a]S[5])(C[5]C[5]HH)(N[6a]C[6a]){2|C<3>,2|H<1>}	N[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]N[6a]C[5])(N[6a]C[6a])(S[5]C[5]){1|C<3>,1|O<1>,4|H<1>}	122.1310	0.092	2	122.1310	0.008	2	122.1310	0.008	2	122.1310	0.008	2	124.1988	9.259	5	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5,6a]	N[6a]	C[5,6a]	3:4:2:	3:3:	3:3:2:	C[5,6a]-3:C[3,5]-4:N[6a]-2:	N[5,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5,6a]-3:O[5]-2:	N[5,6a](C[5,6a]C[6a,6a]O[5])(C[3,5]C[3]2C[5])(N[6a]C[6a])	N[6a](N[5,6a]C[5,6a]C[3,5])(C[6a]C[6a,6a]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[3,5]N[6a])(O[5]C[5])	N[5,6a](C[5,6a]C[6a,6a]O[5])(C[3,5]C[3]2C[5])(N[6a]C[6a]){1|O<1>,4|C<3>,4|H<1>}	N[6a](N[5,6a]C[5,6a]C[3,5])(C[6a]C[6a,6a]O){1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[3,5]N[6a])(O[5]C[5]){1|H<1>,2|C<4>,5|C<3>}	129.4580	0.000	1	129.4580	0.000	1	129.4580	0.000	1	129.4580	0.000	1	124.1988	9.259	5	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a])(N[6a]N[6a])	N[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]N[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a])(N[6a]N[6a]){1|C<3>,3|N<3>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]N[5a,6a]){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]N[5a]N[6a])(C[5a]C[5a]N){1|C<3>,2|N<2>,2|N<3>}	128.4420	0.626	2	128.4420	0.392	2	128.4420	0.392	2	128.4420	0.392	2	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:2:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]N[5a]N[6a])(N[5a]N[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a])(N[6a]C[6a]){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a]){2|N<3>,4|N<2>}	C[5a,6a](N[5a,6a]N[5a]N[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<3>,1|N<3>}	125.7300	0.000	1	125.7300	0.000	1	125.8743	0.034	3	125.8743	0.034	3	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:2:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]N[5a]N[6a])(N[5a]N[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a])(N[6a]C[6a]){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|N<3>,3|N<2>}	C[5a,6a](N[5a,6a]N[5a]N[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<3>,1|N<3>}	126.0820	0.000	1	126.0820	0.000	1	125.8743	0.034	3	125.8743	0.034	3	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:2:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])	C[5a,6a](N[5a,6a]N[5a]N[6a])(N[5a]N[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a])(N[6a]C[6a]){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5]){1|N<3>,5|N<2>}	C[5a,6a](N[5a,6a]N[5a]N[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<3>,1|N<3>}	125.8110	0.000	1	125.8110	0.000	1	125.8743	0.034	3	125.8743	0.034	3	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){1|C<3>,1|C<4>,2|N<2>}	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<3>,1|C<4>}	128.7730	0.000	1	129.0018	0.225	6	129.0018	0.225	6	129.0018	0.225	6	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a]){1|C<3>,2|N<3>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){1|C<3>,1|N<3>,2|N<2>}	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<3>,1|N<3>}	129.0476	0.515	5	129.0018	0.225	6	129.0018	0.225	6	129.0018	0.225	6	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|F<1>,2|C<3>,2|H<1>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]C[6a]H){1|H<1>,2|C<3>}	125.8560	0.000	1	125.8560	0.000	1	125.8560	0.000	1	125.8560	0.000	1	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(N[6a]N[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a]N[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(N[6a]N[6a]){1|H<1>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a]N[6a])(N[5a]C[5a]){1|N<3>,2|N<2>,3|H<1>}	127.9630	0.000	1	127.9630	0.000	1	127.9630	0.000	1	127.9630	0.000	1	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|C<4>,3|N<2>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|C<4>}	124.9520	0.000	1	124.9520	0.000	1	124.3540	0.696	25	124.3540	0.696	25	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Cl)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Cl)(N[6a]C[6a]){1|N<2>,1|N<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|Cl<1>,3|N<2>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|Cl<1>,1|C<3>}	124.8950	0.000	1	124.8950	0.000	1	124.3540	0.696	25	124.3540	0.696	25	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){1|H<1>,1|N<2>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|H<1>,3|N<2>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|H<1>}	122.3920	0.000	1	122.3920	0.000	1	124.3540	0.696	25	124.3540	0.696	25	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){1|N<2>,1|N<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|H<1>,3|N<2>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|H<1>}	123.7802	0.523	6	123.8877	0.259	8	124.3540	0.696	25	124.3540	0.696	25	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){2|N<2>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|H<1>,3|N<2>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|H<1>}	124.2105	0.412	2	123.8877	0.259	8	124.3540	0.696	25	124.3540	0.696	25	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){1|N<2>,1|O<1>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O){1|H<1>,3|N<2>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|H<1>}	124.6620	0.000	1	124.4880	0.061	2	124.3540	0.696	25	124.3540	0.696	25	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){1|N<2>,1|O<2>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O){1|H<1>,3|N<2>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|H<1>}	124.3140	0.000	1	124.4880	0.061	2	124.3540	0.696	25	124.3540	0.696	25	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|H<1>,1|N<2>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){4|N<2>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<2>}	123.7150	0.000	1	123.7150	0.000	1	124.3540	0.696	25	124.3540	0.696	25	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|N<3>,3|N<2>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<3>}	123.9310	0.000	1	124.5359	0.391	8	124.3540	0.696	25	124.3540	0.696	25	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){4|N<2>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<2>}	124.5203	0.372	3	124.5359	0.391	8	124.3540	0.696	25	124.3540	0.696	25	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){2|N<2>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|N<3>,3|N<2>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<3>}	124.1510	0.000	1	124.5359	0.391	8	124.3540	0.696	25	124.3540	0.696	25	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){2|N<2>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){4|N<2>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<2>}	124.8813	0.891	3	124.5359	0.391	8	124.3540	0.696	25	124.3540	0.696	25	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<1>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O){2|N<2>,2|N<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|H<1>,1|N<3>}	125.8675	0.595	2	125.5107	0.559	3	124.3540	0.696	25	124.3540	0.696	25	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|N<2>,1|O<1>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O){1|N<3>,3|N<2>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<3>}	124.7970	0.000	1	125.5107	0.559	3	124.3540	0.696	25	124.3540	0.696	25	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	127.4907	0.406	3	127.4907	0.165	3	127.4907	0.165	3	127.4907	0.165	3	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H){2|N<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(N[5a]N[5a]){1|H<1>,4|C<3>}	127.1088	0.977	4	127.1088	0.954	4	127.1560	0.584	7	126.0512	2.885	30	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H){1|C<4>,2|C<3>,2|N<2>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	127.4805	0.457	2	127.2190	0.310	3	127.1560	0.584	7	126.0512	2.885	30	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H){2|N<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(N[5a]N[5a]){1|H<1>,4|C<3>}	126.6960	0.000	1	127.2190	0.310	3	127.1560	0.584	7	126.0512	2.885	30	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]S)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|S<2>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	125.1330	0.000	1	125.1330	0.000	1	125.7150	3.137	23	126.0512	2.885	30	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	126.2600	0.000	1	125.8200	0.387	2	125.7150	3.137	23	126.0512	2.885	30	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|Cl<1>,2|H<1>,3|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	125.3800	0.000	1	125.8200	0.387	2	125.7150	3.137	23	126.0512	2.885	30	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6]){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	126.4950	0.000	1	126.4950	0.000	1	125.7150	3.137	23	126.0512	2.885	30	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	126.3740	0.000	1	126.3740	0.000	1	125.7150	3.137	23	126.0512	2.885	30	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a]){5|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	127.2540	0.000	1	127.2540	0.000	1	125.7150	3.137	23	126.0512	2.885	30	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	126.1850	0.000	1	126.1850	0.000	1	125.7150	3.137	23	126.0512	2.885	30	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl){1|C<3>,2|C<4>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|C<4>}	126.8540	0.000	1	126.8540	0.000	1	125.7150	3.137	23	126.0512	2.885	30	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|H<1>}	125.2989	2.118	14	125.2989	4.486	14	125.7150	3.137	23	126.0512	2.885	30	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[5a]){2|C<3>,2|H<1>,3|N<2>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|H<1>}	127.3250	0.000	1	127.3250	0.000	1	125.7150	3.137	23	126.0512	2.885	30	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	128.7660	0.000	1	128.7660	0.000	1	128.7660	0.000	1	126.9543	1.896	17	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(C[5a]C[5a]C){1|H<1>,5|C<3>}	127.6530	0.000	1	127.6530	0.000	1	127.7495	0.019	2	126.9543	1.896	17	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H){1|C<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	127.8460	0.000	1	127.8460	0.000	1	127.7495	0.019	2	126.9543	1.896	17	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	126.2340	0.000	1	126.2340	0.000	1	126.7113	1.919	14	126.9543	1.896	17	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(N[6a]C[6a]){1|C<2>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	124.0980	0.000	1	124.0980	0.000	1	126.7113	1.919	14	126.9543	1.896	17	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]N[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]N[6a]){2|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,3|H<1>}	126.2375	0.398	2	126.2375	0.158	2	126.7113	1.919	14	126.9543	1.896	17	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	126.0300	0.000	1	126.0300	0.000	1	126.7113	1.919	14	126.9543	1.896	17	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a]){2|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,3|H<1>}	126.1140	0.000	1	126.1140	0.000	1	126.7113	1.919	14	126.9543	1.896	17	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a]){2|C<3>,2|C<4>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	127.1042	1.182	5	127.1042	1.396	5	126.7113	1.919	14	126.9543	1.896	17	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a]){2|C<3>,2|C<4>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,3|C<3>}	129.8850	0.000	1	129.8850	0.000	1	126.7113	1.919	14	126.9543	1.896	17	126.0616	3.358	88	125.9614	3.756	93
813	371	727	6:SP2_SP2_SP2	N[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|C<3>,3|C<4>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	126.8005	0.118	2	126.8005	0.014	2	126.7113	1.919	14	126.9543	1.896	17	126.0616	3.358	88	125.9614	3.756	93
813	371	818	0:SP2_SP2_SP2	N[5,6a]	N[6a]	C[5]	3:2:3:	3:3:	3:3:2:	C[5,6a]-3:N[6a]-2:C[5]-3:	N[5,6a]-3:C[6a]-3:	N[5,6a]-3:N[5]-3:N-2:	N[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(C[5]N[5]N)	N[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]H)	C[5](N[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(NN)	N[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(C[5]N[5]N){1|N<2>,2|H<1>}	N[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]H){1|N<3>,3|N<2>}	C[5](N[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(NN){1|C<3>,1|N<2>}	128.7290	0.000	1	128.7290	0.000	1	128.4165	0.195	2	128.4165	0.195	2	122.2264	18.112	7	122.2264	18.112	7
813	371	818	0:SP2_SP2_SP2	N[5,6a]	N[6a]	C[5]	3:2:3:	3:3:	3:3:2:	C[5,6a]-3:N[6a]-2:C[5]-3:	N[5,6a]-3:C[6a]-3:	N[5,6a]-3:N[5]-3:N-2:	N[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(C[5]N[5]N)	N[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]N)	C[5](N[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(NN)	N[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(C[5]N[5]N){1|H<1>,2|N<2>}	N[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]N){1|N<3>,3|N<2>}	C[5](N[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(NN){1|C<3>,1|N<2>}	128.1040	0.000	1	128.1040	0.000	1	128.4165	0.195	2	128.4165	0.195	2	122.2264	18.112	7	122.2264	18.112	7
813	371	818	0:SP2_SP2_SP2	N[5,6a]	N[6a]	C[5]	4:2:3:	3:3:	3:4:1:	B[5,6a]-4:N[6a]-2:C[5]-3:	N[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-4:O-1:	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]C)	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]HH)(O)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]C){1|C<4>,1|N<4>,1|O<1>,1|O<2>,2|C<3>}	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]HH)(O){1|O<2>,2|C<3>,2|H<1>}	120.2820	0.000	1	120.2820	0.000	1	119.6598	0.341	4	119.6598	0.341	4	122.2264	18.112	7	122.2264	18.112	7
813	371	818	0:SP2_SP2_SP2	N[5,6a]	N[6a]	C[5]	4:2:3:	3:3:	3:4:1:	B[5,6a]-4:N[6a]-2:C[5]-3:	N[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-4:O-1:	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]H)	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]CH)(O)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]H){1|C<4>,1|N<4>,1|O<1>,1|O<2>,2|C<3>}	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]CH)(O){1|O<2>,2|C<3>,2|H<1>}	119.9720	0.000	1	119.6955	0.153	2	119.6598	0.341	4	119.6598	0.341	4	122.2264	18.112	7	122.2264	18.112	7
813	371	818	0:SP2_SP2_SP2	N[5,6a]	N[6a]	C[5]	4:2:3:	3:3:	3:4:1:	B[5,6a]-4:N[6a]-2:C[5]-3:	N[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-4:O-1:	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]H)	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]CH)(O)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]H){1|C<4>,1|N<4>,1|O<1>,1|O<2>,2|C<3>}	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]CH)(O){1|O<2>,2|C<3>,2|C<4>}	119.4190	0.000	1	119.6955	0.153	2	119.6598	0.341	4	119.6598	0.341	4	122.2264	18.112	7	122.2264	18.112	7
813	371	818	0:SP2_SP2_SP2	N[5,6a]	N[6a]	C[5]	4:2:3:	3:3:	3:4:1:	B[5,6a]-4:N[6a]-2:C[5]-3:	N[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-4:O-1:	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]H)	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]HH)(O)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){2|C<3>,5|H<1>}	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]H){1|C<4>,1|N<4>,1|O<1>,1|O<2>,2|C<3>}	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]HH)(O){1|O<2>,2|C<3>,2|H<1>}	118.9660	0.000	1	118.9660	0.000	1	119.6598	0.341	4	119.6598	0.341	4	122.2264	18.112	7	122.2264	18.112	7
813	371	818	0:SP2_SP2_SP2	N[5,6a]	N[6a]	C[5]	4:3:2:	3:3:	3:3:1:	B[5,6a]-4:C[5]-3:N[6a]-2:	N[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[5,6]-3:O-1:	N[5,6a](B[5,6a]C[6a,6a]N[5,6]O)(C[5]C[5,6]O)(N[6a]C[6a])	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]H)	C[5](N[5,6a]B[5,6a]N[6a])(C[5,6]N[5,6]C[6])(O)	N[5,6a](B[5,6a]C[6a,6a]N[5,6]O)(C[5]C[5,6]O)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]H){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](N[5,6a]B[5,6a]N[6a])(C[5,6]N[5,6]C[6])(O){1|H<1>,1|O<2>,4|C<3>}	120.1130	0.000	1	120.1130	0.000	1	120.1130	0.000	1	120.1130	0.000	1	122.2264	18.112	7	122.2264	18.112	7
813	394	519	0:SP2_SP2_SPD5	N[5a]	P[5]	N[5a]	5:3:2:	3:3:2:2:2:	3:3:	P[5]-5:C[5a]-3:N[5a]-2:	N[5a]-3:N[5]-3:O[5]-2:O-2:O-2:	N[5a]-3:C[5a]-3:	N[5a](P[5]N[5]O[5]OO)(C[5a]C[5a]H)(N[5a]C[5a])	P[5](N[5a]C[5a]N[5a])(N[5]N[5]C)(O[5]C[5])(OC[6a])2	N[5a](N[5a]C[5a]P[5])(C[5a]C[5a]H)	N[5a](P[5]N[5]O[5]OO)(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	P[5](N[5a]C[5a]N[5a])(N[5]N[5]C)(O[5]C[5])(OC[6a])2{1|H<1>,1|O<2>,2|C<3>}	N[5a](N[5a]C[5a]P[5])(C[5a]C[5a]H){1|N<3>,2|H<1>,3|O<2>}	117.6690	0.000	1	117.6690	0.000	1	117.6690	0.000	1	117.6690	0.000	1	117.6690	0.000	1	117.6690	0.000	1
813	394	727	0:SP2_SP2_SPD5	N[5a]	P[5]	C[5a]	5:3:2:	3:3:2:2:2:	3:3:1:	P[5]-5:C[5a]-3:N[5a]-2:	N[5a]-3:N[5]-3:O[5]-2:O-2:O-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](P[5]N[5]O[5]OO)(C[5a]C[5a]H)(N[5a]C[5a])	P[5](N[5a]C[5a]N[5a])(N[5]N[5]C)(O[5]C[5])(OC[6a])2	C[5a](N[5a]N[5a]P[5])(C[5a]C[5a]H)(H)	N[5a](P[5]N[5]O[5]OO)(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	P[5](N[5a]C[5a]N[5a])(N[5]N[5]C)(O[5]C[5])(OC[6a])2{1|H<1>,1|O<2>,2|C<3>}	C[5a](N[5a]N[5a]P[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,3|O<2>}	131.7850	0.000	1	131.7850	0.000	1	131.7850	0.000	1	131.7850	0.000	1	128.6160	6.226	5	128.6160	6.226	5
813	394	727	0:SP2_SP2_SPD5	N[5a]	P[5]	C[5a]	5:3:3:	3:3:2:2:2:	3:2:1:	P[5]-5:C[5a]-3:C[5a]-3:	N[5a]-3:N[5]-3:O[5]-2:O-2:O-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](P[5]N[5]O[5]OO)(C[5a]C[5a]H)(C[5a]N[5a]H)	P[5](N[5a]C[5a]2)(N[5]N[5]C)(O[5]C[5])(OC[6a])2	C[5a](N[5a]C[5a]P[5])(N[5a]C[5a])(H)	N[5a](P[5]N[5]O[5]OO)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>}	P[5](N[5a]C[5a]2)(N[5]N[5]C)(O[5]C[5])(OC[6a])2{1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5a](N[5a]C[5a]P[5])(N[5a]C[5a])(H){1|N<3>,2|H<1>,3|O<2>}	129.5320	0.513	2	129.5320	0.264	2	129.5320	0.264	2	129.5320	0.264	2	128.6160	6.226	5	128.6160	6.226	5
813	394	727	0:SP2_SP2_SPD5	N[5a]	P[5]	C[5a]	5:3:3:	3:3:2:2:2:	3:3:1:	P[5]-5:C[5a]-3:C[5a]-3:	N[5a]-3:N[5]-3:O[5]-2:O-2:O-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](P[5]N[5]O[5]OO)(C[5a]C[5a]H)(C[5a]N[5a]H)	P[5](N[5a]C[5a]2)(N[5]N[5]C)(O[5]C[5])(OC[6a])2	C[5a](N[5a]C[5a]P[5])(C[5a]N[5a]H)(H)	N[5a](P[5]N[5]O[5]OO)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>}	P[5](N[5a]C[5a]2)(N[5]N[5]C)(O[5]C[5])(OC[6a])2{1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5a](N[5a]C[5a]P[5])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,3|O<2>}	126.1155	0.646	2	126.1155	0.417	2	126.1155	0.417	2	126.1155	0.417	2	128.6160	6.226	5	128.6160	6.226	5
813	394	727	5:SP2_SP2_SPD5	N[5,5a,6]	P[5,3x6]	C[5,5a]	5:3:3:	3:3:3:3:3:	3:3:3:	P[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	P[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)	C[5,5a](N[5,5a,6]P[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,9|C<3>}	P[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2){13|C<3>,2|H<1>}	C[5,5a](N[5,5a,6]P[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){2|H<1>,2|N<3>,4|C<3>}	117.0310	0.167	4	117.0310	0.028	4	117.0310	0.028	4	117.0310	0.028	4	117.0310	0.028	4	117.0310	0.028	4
813	394	727	6:SP2_SP2_SPD5	N[5,5a,6]	P[5,3x6]	C[5a,6]	5:3:3:	3:3:3:3:3:	3:3:3:	P[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	P[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,9|C<3>}	P[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2){13|C<3>,2|H<1>}	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	136.6890	0.000	1	136.6890	0.000	1	136.1937	0.341	4	136.1937	0.341	4	136.1937	0.341	4	130.1233	22.160	12
813	394	727	6:SP2_SP2_SPD5	N[5,5a,6]	P[5,3x6]	C[5a,6]	5:3:3:	3:3:3:3:3:	3:3:3:	P[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	P[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,9|C<3>}	P[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2){13|C<3>,2|H<1>}	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	136.0287	0.590	3	136.0287	0.348	3	136.1937	0.341	4	136.1937	0.341	4	136.1937	0.341	4	130.1233	22.160	12
813	394	727	6:SP2_SP2_SPD5	N[5a,6,6]	P[5,3x6]	C[5a,6]	5:3:3:	3:3:3:3:3:	3:3:3:	P[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2	P[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	P[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2){13|C<3>,2|H<1>}	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	128.2200	0.000	1	128.2200	0.000	1	127.0880	3.089	8	127.0880	3.089	8	127.0880	3.089	8	130.1233	22.160	12
813	394	727	6:SP2_SP2_SPD5	N[5a,6,6]	P[5,3x6]	C[5a,6]	5:3:3:	3:3:3:3:3:	3:3:3:	P[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2	P[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	P[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2){13|C<3>,2|H<1>}	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	126.9263	1.833	7	126.9263	3.360	7	127.0880	3.089	8	127.0880	3.089	8	127.0880	3.089	8	130.1233	22.160	12
813	461	490	0:SP2_SP2_SP3	N[5a]	As[5a]	C	3:2:4:	3:2:	3:3:1:1:	C[5a,6a]-3:As[5a]-2:C-4:	N[5a]-3:S[5a]-2:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(As[5a]S[5a])(CC[6a]HH)	As[5a](N[5a]C[5a,6a]C)(S[5a]C[5a,6a])	C(N[5a]C[5a,6a]As[5a])(C[6a]C[6a]N[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(As[5a]S[5a])(CC[6a]HH){1|H<1>,2|C<3>}	As[5a](N[5a]C[5a,6a]C)(S[5a]C[5a,6a]){2|C<3>}	C(N[5a]C[5a,6a]As[5a])(C[6a]C[6a]N[6a])(H)2	122.3700	0.000	1	122.3700	0.000	1	122.3700	0.000	1	122.3700	0.000	1	122.3700	0.000	1	122.3700	0.000	1
813	461	643	0:SP2_SP2_SP2	N[5a]	As[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:As[5a]-2:	N[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a])	As[5a](N[5a]C[5,5a]C[6a])2	C[6a](N[5a]C[5,5a]As[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	As[5a](N[5a]C[5,5a]C[6a])2{6|C<3>}	C[6a](N[5a]C[5,5a]As[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	122.5945	2.114	6	122.5945	4.468	6	123.0375	3.943	8	122.4657	4.526	10	122.4657	4.526	10	122.4657	4.526	10
813	461	643	0:SP2_SP2_SP2	N[5a]	As[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:As[5a]-2:	N[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a])	As[5a](N[5a]C[5,5a]C[6a])2	C[6a](N[5a]C[5,5a]As[5a])(C[6a]C[6a]C)2	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a]){2|C<4>,6|C<3>}	As[5a](N[5a]C[5,5a]C[6a])2{6|C<3>}	C[6a](N[5a]C[5,5a]As[5a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	124.3665	0.743	2	124.3665	0.552	2	123.0375	3.943	8	122.4657	4.526	10	122.4657	4.526	10	122.4657	4.526	10
813	461	643	0:SP2_SP2_SP2	N[5a]	As[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:As[5a]-2:	N[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(As[5a]N[5a])	As[5a](N[5a]C[5a,6a]C[6a])2	C[6a](N[5a]C[5a,6a]As[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(As[5a]N[5a]){2|H<1>,6|C<3>}	As[5a](N[5a]C[5a,6a]C[6a])2{6|C<3>}	C[6a](N[5a]C[5a,6a]As[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	120.1785	0.233	2	120.1785	0.054	2	120.1785	0.054	2	122.4657	4.526	10	122.4657	4.526	10	122.4657	4.526	10
813	461	727	5:SP2_SP2_SP2	N[5a]	As[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:As[5a]-2:	N[5a]-3:N[5a]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a])	As[5a](N[5a]C[5,5a]C[6a])2	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]As[5a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	As[5a](N[5a]C[5,5a]C[6a])2{6|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]As[5a]C[6a]){1|H<1>,6|C<3>}	111.8632	1.260	6	112.2861	2.069	8	112.2861	2.069	8	112.2861	2.069	8	112.2861	2.069	8	113.3785	6.215	11
813	461	727	5:SP2_SP2_SP2	N[5a]	As[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:As[5a]-2:	N[5a]-3:N[5a]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a])	As[5a](N[5a]C[5,5a]C[6a])2	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]As[5a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a]){2|C<4>,6|C<3>}	As[5a](N[5a]C[5,5a]C[6a])2{6|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]As[5a]C[6a]){1|H<1>,6|C<3>}	113.5550	1.499	2	112.2861	2.069	8	112.2861	2.069	8	112.2861	2.069	8	112.2861	2.069	8	113.3785	6.215	11
813	461	727	5:SP2_SP2_SP2	N[5a]	As[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:As[5a]-2:C-4:	N[5a]-3:S[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(As[5a]S[5a])(CC[6a]HH)	As[5a](N[5a]C[5a,6a]C)(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]As[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(As[5a]S[5a])(CC[6a]HH){1|H<1>,2|C<3>}	As[5a](N[5a]C[5a,6a]C)(S[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]As[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	119.1600	0.000	1	119.1600	0.000	1	119.1600	0.000	1	119.1600	0.000	1	116.2917	6.332	3	113.3785	6.215	11
813	461	727	5:SP2_SP2_SP2	N[5a]	As[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:As[5a]-2:	N[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(As[5a]N[5a])	As[5a](N[5a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]As[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(As[5a]N[5a]){2|H<1>,6|C<3>}	As[5a](N[5a]C[5a,6a]C[6a])2{6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]As[5a]C[6a]){1|H<1>,1|S<2>,6|C<3>}	114.8575	0.568	2	114.8575	0.322	2	114.8575	0.322	2	114.8575	0.322	2	116.2917	6.332	3	113.3785	6.215	11
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6,6]	N[5a]	4:3:2:	3:3:3:4:	3:3:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	C[6,6a]-3:N[5a,6]-3:N[6]-3:C[6]-4:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[6,6]C[6,6a]C[6]N[6])(C[5a,6]C[6,6a]C[5a])(N[5a]C[5a])	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)	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H)	N[5a,6](C[6,6]C[6,6a]C[6]N[6])(C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]){1|C<4>,4|C<3>,5|H<1>}	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>}	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.4820	0.000	1	122.4820	0.000	1	122.4820	0.000	1	122.4820	0.000	1	123.4888	0.554	9	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6,6]	N[5a]	4:3:2:	3:3:4:1:	3:3:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[6,6]N[6,6]C[6]H)(C[5a,6]C[5a]C[6])(N[5a]C[5a])	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]C[6]N[6])(C[6]C[6]HH)(H)	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]C[6a])	N[5a,6](C[6,6]N[6,6]C[6]H)(C[5a,6]C[5a]C[6])(N[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]C[6]N[6])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]C[6a]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	123.0090	0.000	1	123.0090	0.000	1	123.0090	0.000	1	123.0090	0.000	1	123.4888	0.554	9	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6,6]	N[5a]	4:3:2:	3:4:2:1:	3:2:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6]-4:O[6]-2:H-1:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[6,6]C[6,6]O[6]H)(C[5a,6]C[5a]C[6])(N[5a]N[5a])	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	N[5a](N[5a,6]C[5a,6]C[6,6])(N[5a]C[5a])	N[5a,6](C[6,6]C[6,6]O[6]H)(C[5a,6]C[5a]C[6])(N[5a]N[5a]){1|O<2>,2|C<4>,4|H<1>}	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	N[5a](N[5a,6]C[5a,6]C[6,6])(N[5a]C[5a]){1|O<2>,2|C<4>,2|H<1>}	124.0800	0.000	1	124.0800	0.000	1	124.0800	0.000	1	124.0800	0.000	1	123.4888	0.554	9	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6,6]	N[5a]	4:3:2:	3:4:2:4:	3:3:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6]-4:O[6]-2:C-4:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(CH3)	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	123.7510	0.293	4	123.7510	0.086	4	123.8976	0.172	5	123.8976	0.172	5	123.4888	0.554	9	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6,6]	N[5a]	4:3:2:	3:4:2:4:	3:3:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6]-4:O[6]-2:C-4:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(CH3)	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]N[5a]C)	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]N[5a]C){1|N<3>,1|O<2>,2|C<4>}	124.4840	0.000	1	124.4840	0.000	1	123.8976	0.172	5	123.8976	0.172	5	123.4888	0.554	9	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6,6]	N[5a]	4:3:2:	3:4:4:1:	3:2:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]C[5a]C[6])(N[5a]N[5a])	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	N[5a](N[5a,6]C[5a,6]C[6,6])(N[5a]C[5a])	N[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]C[5a]C[6])(N[5a]N[5a]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[5a](N[5a,6]C[5a,6]C[6,6])(N[5a]C[5a]){1|C<3>,1|H<1>,3|C<4>}	122.3400	0.000	1	122.3400	0.000	1	122.3400	0.000	1	122.3400	0.000	1	123.4888	0.554	9	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:2:4:	3:3:4:4:	3:3:	C[5a,6]-3:N[5a]-2:C[6]-4:	N[5a,6]-3:N[6]-3:C-4:C-4:	C[5a,6a]-3:N[5a,6]-3:	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]CC)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]CC){1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2{4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	119.9945	0.351	2	119.9945	0.124	2	119.9945	0.124	2	119.9945	0.124	2	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:1:1:	3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-3:H-1:H-1:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]HH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H)2	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<4>,1|N<3>,1|O<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H)2{1|H<1>,1|N<3>,2|N<2>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|C<3>,1|N<3>,2|H<1>}	124.6300	0.000	1	124.6300	0.000	1	124.6300	0.000	1	124.6300	0.000	1	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:1:1:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(H)2	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6]HH)(N[5a]C[5a]){1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(H)2{1|N<3>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	121.0180	0.000	1	121.0180	0.000	1	121.0180	0.000	1	121.0180	0.000	1	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:3:1:	3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[6,6]N[5a])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]N[6]O)(H)	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	N[5a,6](C[5a,6]C[6,6]N[5a])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	122.8500	0.000	1	122.8500	0.000	1	124.7124	0.884	7	124.7124	0.884	7	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:3:1:	3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	124.9815	0.688	2	124.9815	0.473	2	124.7124	0.884	7	124.7124	0.884	7	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:3:1:	3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	124.8833	0.484	3	124.8833	0.234	3	124.7124	0.884	7	124.7124	0.884	7	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:3:1:	3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(C[6]C[6]C)(H)	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	125.5240	0.000	1	125.5240	0.000	1	124.7124	0.884	7	124.7124	0.884	7	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:3:1:	3:3:	C[5a,6,6a]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]I)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|I<1>,6|C<3>}	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){3|H<1>,5|C<3>}	N[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]I){1|H<1>,4|C<3>}	123.5720	0.000	1	123.5720	0.000	1	123.5720	0.000	1	122.4930	0.980	8	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:3:1:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|H<1>,5|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	121.3400	0.000	1	121.3400	0.000	1	122.6288	0.400	6	122.4930	0.980	8	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:3:1:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|C<2>,1|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|N<2>,4|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>}	122.9300	0.000	1	122.9300	0.000	1	122.6288	0.400	6	122.4930	0.980	8	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:3:1:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]S)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|H<1>,1|S<2>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]S){1|H<1>,1|N<3>,2|C<3>}	122.9180	0.000	1	122.8945	0.001	2	122.6288	0.400	6	122.4930	0.980	8	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:3:1:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]S)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|H<1>,1|S<2>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]S){1|H<1>,1|N<3>,2|C<3>}	122.8710	0.000	1	122.8945	0.001	2	122.6288	0.400	6	122.4930	0.980	8	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:3:1:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>}	122.8330	0.000	1	122.8330	0.000	1	122.6288	0.400	6	122.4930	0.980	8	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:3:1:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]S)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]S){1|H<1>,1|N<3>,2|C<3>}	122.8810	0.000	1	122.8810	0.000	1	122.6288	0.400	6	122.4930	0.980	8	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:3:1:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(N[5a]C[5a]){3|H<1>,4|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>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	120.5990	0.000	1	120.5990	0.000	1	120.5990	0.000	1	122.4930	0.980	8	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:3:2:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a,6]-3:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]C[6a]O)(N[5a]C[5a,6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(OH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]C[6a]O)(N[5a]C[5a,6a]){1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(OH){1|O<2>,2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|H<1>,1|O<2>,5|C<3>}	118.6370	0.000	1	118.6370	0.000	1	118.6370	0.000	1	121.1283	4.795	3	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:3:2:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[3x6])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a]){1|C<4>,6|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[3x6]){1|O<2>,2|C<4>,4|H<1>,6|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){2|O<2>,3|C<3>}	122.0000	0.000	1	122.0000	0.000	1	122.3740	0.280	2	121.1283	4.795	3	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:3:2:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[6])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a]){1|C<4>,6|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[6]){1|O<2>,5|H<1>,7|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){2|O<2>,3|C<3>}	122.7480	0.000	1	122.7480	0.000	1	122.3740	0.280	2	121.1283	4.795	3	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:3:4:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6a]-3:C[6]-4:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2C[6])(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(C[6]C[6]HH)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2C[6])(N[5a]C[5a]){1|C<4>,2|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(C[6]C[6]HH){2|O<2>,5|H<1>,6|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|O<2>,3|C<3>}	122.0710	0.000	1	122.0710	0.000	1	122.0710	0.000	1	122.0710	0.000	1	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:4:1:	3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-3:C-4:H-1:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CC[6a]HH)(H)	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<4>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<4>,1|N<3>,2|N<2>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|C<3>,1|H<1>,2|C<4>}	123.3120	0.000	1	123.3120	0.000	1	123.3120	0.000	1	123.9673	4.859	3	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:4:1:	3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|O<2>,3|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	122.1650	0.000	1	122.1650	0.000	1	124.2950	9.074	2	123.9673	4.859	3	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:4:1:	3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|N<2>,3|C<3>,3|H<1>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	126.4250	0.000	1	126.4250	0.000	1	124.2950	9.074	2	123.9673	4.859	3	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:4:2:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[5a,6a]-3:N[5a,6]-3:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CC[6a]HH)(OH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a]){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CC[6a]HH)(OH){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	118.7900	0.000	1	118.7900	0.000	1	119.1593	0.103	3	119.1593	0.103	3	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:4:2:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[5a,6a]-3:N[5a,6]-3:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a]){1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	119.3770	0.000	1	119.3440	0.002	2	119.1593	0.103	3	119.1593	0.103	3	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:4:2:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[5a,6a]-3:N[5a,6]-3:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a]){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	119.3110	0.000	1	119.3440	0.002	2	119.1593	0.103	3	119.1593	0.103	3	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:4:4:	3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-3:C-4:C-4:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[6,6]N[5a])(C[6]C[6]CC)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	N[5a,6](C[5a,6]C[6,6]N[5a])(C[6]C[6]CC)(N[5a]N[5a]){1|N<2>,1|O<1>,2|C<4>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2{1|C<4>,2|N<2>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|C<3>,3|C<4>}	123.0920	0.000	1	122.0776	0.936	5	122.2534	0.577	9	122.4017	0.732	10	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:4:4:	3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-3:C-4:C-4:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[6,6]N[5a])(C[6]C[6]CC)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	N[5a,6](C[5a,6]C[6,6]N[5a])(C[6]C[6]CC)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<4>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2{1|C<4>,1|H<1>,2|N<2>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|C<3>,3|C<4>}	121.8240	0.905	4	122.0776	0.936	5	122.2534	0.577	9	122.4017	0.732	10	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:4:4:	3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-3:C-4:C-4:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]CC)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]CC)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<4>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2{1|C<4>,1|H<1>,2|N<2>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|C<3>,3|C<4>}	122.4733	0.417	4	122.4733	0.174	4	122.2534	0.577	9	122.4017	0.732	10	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:4:4:	3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[6]-3:C-4:C-4:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]N[6]CC)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]N[6]CC)(N[5a]N[5a]){1|H<1>,2|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>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|C<3>,1|N<3>,2|C<4>}	123.7360	0.000	1	123.7360	0.000	1	123.7360	0.000	1	122.4017	0.732	10	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:3:4:4:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[6]-3:C-4:C-4:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]N[6]CC)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)2	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])	N[5a,6](C[5a,6]N[5a]N[6])(C[6]N[6]CC)(N[5a]C[5a]){1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)2{1|C<3>,1|N<3>,2|N<2>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a]){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	125.1280	0.897	2	125.1280	0.804	2	125.1280	0.804	2	125.1280	0.804	2	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:4:1:1:	3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5,6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(H)2	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(H)2{2|H<1>,2|N<2>,3|C<4>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){2|C<4>,2|H<1>}	124.5130	0.000	1	124.5130	0.000	1	124.5130	0.000	1	123.4766	2.035	7	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:4:1:1:	3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[6]HH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HO)(H)2	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	121.9560	0.000	1	121.9560	0.000	1	123.3038	2.191	6	123.4766	2.035	7	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:4:1:1:	3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<4>,1|O<2>,4|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){2|C<4>,3|H<1>}	123.7480	1.625	2	123.7480	2.640	2	123.3038	2.191	6	123.4766	2.035	7	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:4:1:1:	3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(H)2	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(H)2{1|N<2>,2|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	124.9510	0.000	1	124.9510	0.000	1	123.3038	2.191	6	123.4766	2.035	7	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:4:1:1:	3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6]HH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.8690	0.000	1	122.7100	2.687	2	123.3038	2.191	6	123.4766	2.035	7	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:4:1:1:	3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6]HH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.5510	0.000	1	122.7100	2.687	2	123.3038	2.191	6	123.4766	2.035	7	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:4:1:1:	3:3:	C[5a,6,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6,6]C[5a,6]N[6,6])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6,6]N[5a])(C[6]C[6]HH)(H)2	N[5a](N[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H)	N[5a,6](C[5a,6,6]C[5a,6]N[6,6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6,6]N[5a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	N[5a](N[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H){1|N<3>,2|C<4>,2|H<1>}	125.3705	0.708	2	125.3705	0.501	2	125.3705	0.501	2	122.4912	9.347	12	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:4:1:1:	3:3:	C[5a,6,6a]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6]O[6]HH)(H)2	N[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[5a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(N[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6]O[6]HH)(H)2{3|C<3>}	N[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[5a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	128.6740	0.000	1	128.6740	0.000	1	128.6740	0.000	1	122.4912	9.347	12	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:4:1:1:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2{4|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	122.4470	0.000	1	122.4470	0.000	1	121.1643	3.958	9	122.4912	9.347	12	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:4:1:1:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,2|H<1>,3|N<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2{1|N<2>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.4805	0.022	2	122.4805	0.000	2	121.1643	3.958	9	122.4912	9.347	12	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:4:1:1:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	118.1195	0.141	2	118.8050	1.420	3	121.1643	3.958	9	122.4912	9.347	12	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:4:1:1:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,1|O<2>,5|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	120.1760	0.000	1	118.8050	1.420	3	121.1643	3.958	9	122.4912	9.347	12	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:4:1:1:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(H)2	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|O<2>,2|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(H)2{1|C<4>,4|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	121.7950	0.000	1	121.7950	0.000	1	121.1643	3.958	9	122.4912	9.347	12	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:4:1:1:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	123.7360	0.000	1	123.7360	0.000	1	121.1643	3.958	9	122.4912	9.347	12	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:4:1:1:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	121.1250	0.000	1	121.1250	0.000	1	121.1643	3.958	9	122.4912	9.347	12	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:4:3:1:	3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:C-3:H-1:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CCH)(H)	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CCH)(H){1|C<3>,1|C<4>,1|N<2>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	122.4720	0.397	2	122.4720	0.158	2	120.9278	2.198	5	121.0960	1.929	6	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:4:3:1:	3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:C-3:H-1:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6]CH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CCH)(H)	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	N[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6]CH)(N[5a]N[5a]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CCH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	119.8983	0.586	3	119.8983	0.344	3	120.9278	2.198	5	121.0960	1.929	6	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:4:3:1:	3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:C[6a]-3:H-1:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|O<2>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	121.9370	0.000	1	121.9370	0.000	1	121.9370	0.000	1	121.0960	1.929	6	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:4:4:1:	3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HO)(CH3)(H)	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|C<3>,1|H<1>,3|C<4>}	120.9475	0.111	2	120.9475	0.012	2	122.3240	5.690	3	122.3240	5.690	3	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:4:4:1:	3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CCHH)(H)	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CCHH)(H){1|C<3>,1|C<4>,1|N<2>,1|S<4>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|C<3>,1|H<1>,3|C<4>}	125.0770	0.000	1	125.0770	0.000	1	122.3240	5.690	3	122.3240	5.690	3	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:4:4:1:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5,6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CH3)(H)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<3>,1|H<1>,3|C<4>}	124.5660	0.000	1	124.5660	0.000	1	124.5660	0.000	1	124.5660	0.000	1	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:4:4:2:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:C-4:O-2:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]CO)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CClHH)(OH)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]S)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]CO)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CClHH)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]S){1|N<3>,1|O<2>,2|C<4>}	125.7110	0.000	1	125.7110	0.000	1	124.7095	2.006	2	124.7095	2.006	2	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:2:	3:4:4:2:	3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:C-4:O-2:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]CO)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CH3)(OH)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]CO)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|N<3>,1|O<2>,2|C<4>}	123.7080	0.000	1	123.7080	0.000	1	124.7095	2.006	2	124.7095	2.006	2	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	4:3:2:	3:3:3:1:	3:3:	C[6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>}	123.1170	0.000	1	123.1170	0.000	1	123.1170	0.000	1	123.1170	0.000	1	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a]	4:3:2:	3:4:3:1:	3:3:	C[6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6]-4:C[6a]-3:H-1:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(H)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|N<2>,3|H<1>,4|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	124.3640	0.000	1	124.3640	0.000	1	124.3640	0.000	1	124.3640	0.000	1	122.6611	4.453	74	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[3x6]	N[5a]	3:4:2:	3:4:4:4:	3:3:	C[5a]-3:C[3x6]-4:N[5a]-2:	N[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5a,6]-3:N[5a]-3:	N[5a](C[5a]N[5a,6]Rh)(C[3x6]C[6,6]3)(N[5a]C[5a,6])	C[3x6](N[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[3x6]C[5a])	N[5a](C[5a]N[5a,6]Rh)(C[3x6]C[6,6]3)(N[5a]C[5a,6]){2|C<3>,3|C<4>,6|H<1>}	C[3x6](N[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3{1|Rh<4>,1|C<3>,1|N<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[3x6]C[5a]){1|Rh<4>,1|H<1>,2|C<3>,3|C<4>}	116.2520	0.000	1	116.2520	0.000	1	116.2520	0.000	1	116.2520	0.000	1	119.6610	4.245	5	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[3x6]	N[5a]	4:3:2:	3:4:4:4:	3:2:	C[3x6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[5a]-3:N[5a]-2:	N[5a](C[3x6]C[6,6]3)(C[5a]C[5a]C)(N[5a]N[5a])	C[3x6](N[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3	N[5a](N[5a]C[3x6]C[5a])(N[5a]C[5a])	N[5a](C[3x6]C[6,6]3)(C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,3|C<4>,6|H<1>}	C[3x6](N[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3{1|C<2>,1|C<3>,1|N<2>,3|C<4>,3|H<1>}	N[5a](N[5a]C[3x6]C[5a])(N[5a]C[5a]){1|C<2>,1|C<3>,3|C<4>}	120.5132	0.905	4	120.5132	0.818	4	120.5132	0.818	4	120.5132	0.818	4	119.6610	4.245	5	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	2:2:4:	3:4:4:3:	3:3:	N[5a]-2:N[5a]-2:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:N-3:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(C[6]C[6]2N)	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(NOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[6])	N[5a](N[5a]C[5a,6a])2(C[6]C[6]2N){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(NOO){1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[6]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	121.0650	0.191	2	121.0650	0.036	2	121.0650	0.036	2	121.0650	0.036	2	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	3:4:2:	3:3:2:1:	3:2:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[6,6a]-3:N[5a]-3:O[6]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]O[6]H)(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(O[6]C[6])(H)	N[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]O[6]H)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(O[6]C[6])(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,1|O<2>,3|C<3>}	122.3800	0.000	1	122.3800	0.000	1	122.3800	0.000	1	121.5550	1.361	2	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	3:4:2:	3:3:2:1:	3:2:	C[5a,6a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-3:O[6]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(N[5a]N[5a])	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]H)(O[6]C[6])(H)	N[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]H)(O[6]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,1|O<2>,3|C<3>}	120.7300	0.000	1	120.7300	0.000	1	120.7300	0.000	1	121.5550	1.361	2	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	3:4:2:	3:3:4:1:	3:2:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[5a]N[5a])	C[6](C[6,6a]C[5,6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(H)	N[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[5a]N[5a]){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,3|C<3>}	120.0960	0.000	1	120.0960	0.000	1	118.8370	3.170	2	119.7843	4.277	3	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	3:4:2:	3:3:4:1:	3:2:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]CN)(H)	N[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]CN)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,3|C<3>}	117.5780	0.000	1	117.5780	0.000	1	118.8370	3.170	2	119.7843	4.277	3	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	3:4:2:	3:3:4:1:	3:2:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-3:C[6]-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	121.6790	0.000	1	121.6790	0.000	1	121.6790	0.000	1	119.7843	4.277	3	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	3:4:2:	3:4:2:1:	3:2:	C[5a,6a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(N[5a]N[5a])	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	N[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(N[5a]N[5a]){1|C<4>,3|C<3>,3|H<1>}	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	N[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.5800	0.000	1	120.5800	0.000	1	121.0365	0.417	2	121.0365	0.417	2	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	3:4:2:	3:4:2:1:	3:2:	C[5a,6a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(N[5a]N[5a])	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H)	N[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<2>}	N[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	121.4930	0.000	1	121.4930	0.000	1	121.0365	0.417	2	121.0365	0.417	2	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	3:4:2:	3:4:2:1:	3:3:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]Br)(C[6]C[6]O[6]H)(N[5a]C[5a,6a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])	N[5a](C[5a]C[5a,6a]Br)(C[6]C[6]O[6]H)(N[5a]C[5a,6a]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6]){1|Br<1>,1|C<4>,1|H<1>,2|N<2>,2|O<2>}	120.8570	0.000	1	120.8570	0.000	1	120.8570	0.000	1	120.8570	0.000	1	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	3:4:2:	3:4:3:1:	3:3:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-3:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]O)(H)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){1|O<1>,2|C<4>,4|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]O)(H){2|C<3>,3|C<4>,3|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	121.1540	0.000	1	121.1540	0.000	1	121.1540	0.000	1	121.1540	0.000	1	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	3:4:2:	3:4:4:1:	3:2:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6a]ClH)(C[6]C[6]HH)(H)	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(C[6]C[6]2H)(N[5a]N[5a]){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6a]ClH)(C[6]C[6]HH)(H){1|N<2>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	119.1440	0.000	1	119.1440	0.000	1	120.1968	1.119	11	120.1968	1.119	11	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	3:4:2:	3:4:4:1:	3:2:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]CO)(H)	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]CO)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	120.2600	0.000	1	120.2600	0.000	1	120.1968	1.119	11	120.1968	1.119	11	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	3:4:2:	3:4:4:1:	3:2:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|P<4>,4|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|P<4>,2|C<4>,2|H<1>}	119.7630	1.413	2	119.7630	1.996	2	120.1968	1.119	11	120.1968	1.119	11	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	3:4:2:	3:4:4:1:	3:2:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a]){3|C<4>,4|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){2|H<1>,3|C<4>}	119.2280	0.000	1	119.2280	0.000	1	120.1968	1.119	11	120.1968	1.119	11	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	3:4:2:	3:4:4:1:	3:2:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a]){1|C<3>,2|C<4>,3|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a]){1|H<1>,3|C<4>}	121.9920	0.000	1	121.9920	0.000	1	120.1968	1.119	11	120.1968	1.119	11	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	3:4:2:	3:4:4:1:	3:2:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a]){2|C<4>,4|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){2|C<4>,2|N<2>,4|H<1>}	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a]){1|H<1>,3|C<4>}	119.7335	0.442	2	119.7335	0.195	2	120.1968	1.119	11	120.1968	1.119	11	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	3:4:2:	3:4:4:1:	3:2:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(C[6]C[6]2H)(N[5a]N[5a]){1|N<3>,3|C<4>,5|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){2|C<4>,2|N<2>,4|H<1>}	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a]){1|H<1>,3|C<4>}	120.2640	0.000	1	120.2640	0.000	1	120.1968	1.119	11	120.1968	1.119	11	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	3:4:2:	3:4:4:1:	3:2:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(C[6]C[6]2H)(N[5a]N[5a]){1|N<3>,3|C<4>,5|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){2|C<4>,2|N<2>,4|H<1>}	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a]){1|H<1>,3|C<4>}	120.3920	0.000	1	120.3920	0.000	1	120.1968	1.119	11	120.1968	1.119	11	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	3:4:2:	3:4:4:1:	3:2:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]N)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(C[6]C[6]2H)(N[5a]N[5a]){2|C<4>,4|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<4>}	121.8920	0.000	1	121.8920	0.000	1	120.1968	1.119	11	120.1968	1.119	11	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	3:4:2:	3:4:4:1:	3:3:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[6a]N[5a])(C[6]C[6]2H)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6])	N[5a](C[5a]C[6a]N[5a])(C[6]C[6]2H)(N[5a]C[5a]){2|C<4>,3|C<3>,4|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6]){1|H<1>,2|C<4>,3|C<3>}	118.6100	0.000	1	118.6100	0.000	1	118.6100	0.000	1	118.9410	0.126	5	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	3:4:2:	3:4:4:1:	3:3:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6]C[6]2H)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]C[6a])(C[6]C[6]2H)(N[5a]C[5a]){2|C<4>,3|C<3>,5|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	119.0790	0.000	1	119.0790	0.000	1	119.0238	0.122	4	118.9410	0.126	5	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	3:4:2:	3:4:4:1:	3:3:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[5,6]HH)(C[6]C[6]HW)(H)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){1|W<7>,2|C<4>,5|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[5,6]HH)(C[6]C[6]HW)(H){1|C<4>,3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	118.8640	0.000	1	118.8640	0.000	1	119.0238	0.122	4	118.9410	0.126	5	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	3:4:2:	3:4:4:1:	3:3:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]HW)(H)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){1|W<7>,3|H<1>,4|C<4>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]HW)(H){3|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	118.6680	0.000	1	118.6680	0.000	1	119.0238	0.122	4	118.9410	0.126	5	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	3:4:2:	3:4:4:1:	3:3:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){1|C<3>,2|C<4>,5|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	119.4840	0.000	1	119.4840	0.000	1	119.0238	0.122	4	118.9410	0.126	5	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:2:2:	3:4:3:1:	3:2:	C[6]-4:N[5a]-2:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-3:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[6]C[6]2H)(N[5a]C[5a])(N[5a]N[5a])	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	N[5a](N[5a]N[5a]C[6])(N[5a]C[5a])	N[5a](C[6]C[6]2H)(N[5a]C[5a])(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[5a](N[5a]N[5a]C[6])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	122.9340	0.000	1	122.9340	0.000	1	122.9340	0.000	1	122.9340	0.000	1	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:2:2:	3:4:3:1:	3:3:	C[6]-4:N[5a]-2:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[6]C[6]2H)(N[5a]C[5a])(N[5a]N[5a])	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])	N[5a](C[6]C[6]2H)(N[5a]C[5a])(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6]){1|C<4>,1|H<1>,3|C<3>}	123.4380	0.000	1	123.4380	0.000	1	123.4380	0.000	1	123.4380	0.000	1	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:2:2:	3:4:4:1:	3:2:	C[6]-4:N[5a]-2:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[6]C[6]2H)(N[5a]C[5a])(N[5a]N[5a])	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N[5a](N[5a]N[5a]C[6])(N[5a]C[5a])	N[5a](C[6]C[6]2H)(N[5a]C[5a])(N[5a]N[5a]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[5a](N[5a]N[5a]C[6])(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	122.3090	0.000	1	122.3090	0.000	1	122.3090	0.000	1	122.3090	0.000	1	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:2:2:	3:4:4:1:	3:3:	C[6]-4:N[5a]-2:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[6]C[6]2H)(N[5a]C[5a])(N[5a]N[5a])	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])	N[5a](C[6]C[6]2H)(N[5a]C[5a])(N[5a]N[5a]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6]){1|H<1>,2|C<3>,2|C<4>}	122.9910	0.000	1	122.9910	0.000	1	123.0280	0.003	2	122.4677	0.943	3	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:2:2:	3:4:4:1:	3:3:	C[6]-4:N[5a]-2:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[6]C[6]2H)(N[5a]C[5a])2	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])	N[5a](C[6]C[6]2H)(N[5a]C[5a])2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6]){2|C<3>,2|C<4>,2|H<1>}	123.0650	0.000	1	123.0650	0.000	1	123.0280	0.003	2	122.4677	0.943	3	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:2:2:	3:4:4:1:	3:3:	C[6]-4:N[5a]-2:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[6]C[6]2H)(N[5a]C[5a])2	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(H)	N[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)	N[5a](C[6]C[6]2H)(N[5a]C[5a])2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	121.3470	0.000	1	121.3470	0.000	1	121.3470	0.000	1	122.4677	0.943	3	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:2:2:	4:3:4:1:	3:3:	C[6]-4:N[5a]-2:N[5a]-2:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[6]C[5,6]C[6]H)(N[5a]C[5a])2	C[6](C[5,6]O[5,6]C[5]H)(N[5a]N[5a]2)(C[6]C[6]HH)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])	N[5a](C[6]C[5,6]C[6]H)(N[5a]C[5a])2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(N[5a]N[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6]){2|C<3>,2|C<4>,2|H<1>}	122.2990	1.686	3	122.2990	2.843	3	122.2990	2.843	3	122.4900	1.507	6	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:2:2:	4:3:4:1:	3:3:	C[6]-4:N[5a]-2:N[5a]-2:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[6]C[5,6]C[6]H)(N[5a]C[5a])2	C[6](C[5,6]O[5,6]C[5]H)(N[5a]N[5a]2)(C[6]C[6]HH)(H)	N[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)	N[5a](C[6]C[5,6]C[6]H)(N[5a]C[5a])2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(N[5a]N[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	N[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	122.6810	0.903	3	122.6810	0.815	3	122.6810	0.815	3	122.4900	1.507	6	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:3:2:	3:3:3:1:	3:2:	C[6]-4:C[5a]-3:N[5a]-2:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[6]C[6,6a]N[6]H)(C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[6]C[5]C[6])(H)	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a])	N[5a](C[6]C[6,6a]N[6]H)(C[5a]N[5a]C[6])(N[5a]N[5a]){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[6]C[5]C[6])(H){2|C<4>,2|N<2>,4|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.1780	0.000	1	121.1780	0.000	1	121.1780	0.000	1	121.1780	0.000	1	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:3:2:	3:3:4:1:	3:2:	C[6]-4:C[5a]-3:N[5a]-2:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]C)(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]ClH)(H)	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	N[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]C)(N[5a]N[5a]){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]ClH)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	119.2330	0.000	1	119.2330	0.000	1	119.2330	0.000	1	119.2330	0.000	1	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:3:2:	3:4:2:1:	3:2:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H)	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<4>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|O<2>,2|C<4>,2|H<1>}	120.7583	1.464	11	120.7583	2.142	11	120.7583	2.142	11	120.7583	2.142	11	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:3:2:	3:4:2:1:	3:3:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]C)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.9820	0.000	1	120.9820	0.000	1	122.5280	5.047	3	122.5280	5.047	3	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:3:2:	3:4:2:1:	3:3:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]C)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.4970	0.000	1	121.4970	0.000	1	122.5280	5.047	3	122.5280	5.047	3	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:3:2:	3:4:2:1:	3:3:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,4|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|O<2>,3|H<1>}	125.1050	0.000	1	125.1050	0.000	1	122.5280	5.047	3	122.5280	5.047	3	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:3:2:	3:4:3:1:	3:2:	C[6]-4:C[5a]-3:N[5a]-2:	C[6,6a]-3:C[5,6]-4:N[5a]-3:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[6]C[6,6a]C[5,6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a]N[5a])(H)	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	N[5a](C[6]C[6,6a]C[5,6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a]N[5a])(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,5|H<1>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	118.9700	0.185	2	119.0810	0.054	3	119.0810	0.054	3	119.0810	0.054	3	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:3:2:	3:4:3:1:	3:2:	C[6]-4:C[5a]-3:N[5a]-2:	C[6,6a]-3:C[5,6]-4:N[5a]-3:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[6]C[6,6a]C[5,6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a]N[5a])(H)	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	N[5a](C[6]C[6,6a]C[5,6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a]N[5a])(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,5|H<1>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	119.3030	0.000	1	119.0810	0.054	3	119.0810	0.054	3	119.0810	0.054	3	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:3:2:	4:3:3:1:	3:2:	C[6]-4:C[5a]-3:N[5a]-2:	C[4x6]-4:N[5a]-3:C[6]-3:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[6]C[4x6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[6](C[4x6]C[3x6]2C[6,6])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H)	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	N[5a](C[6]C[4x6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|C<3>,3|C<4>}	C[6](C[4x6]C[3x6]2C[6,6])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<2>,4|C<4>,6|H<1>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	120.7160	0.000	1	120.7160	0.000	1	120.7160	0.000	1	120.7160	0.000	1	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:3:2:	4:3:4:1:	3:2:	C[6]-4:C[5a]-3:N[5a]-2:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	N[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>,3|O<2>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	121.4440	0.000	1	120.7930	0.848	2	120.7930	0.848	2	120.7930	0.848	2	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:3:2:	4:3:4:1:	3:2:	C[6]-4:C[5a]-3:N[5a]-2:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	N[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	120.1420	0.000	1	120.7930	0.848	2	120.7930	0.848	2	120.7930	0.848	2	120.8490	2.456	62	121.8617	4.397	150
813	466	519	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:3:2:	4:3:4:1:	3:3:	C[6]-4:C[5a]-3:N[5a]-2:	C[6,6]-4:N[5a]-3:C[6]-4:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a])	C[6](C[6,6]C[6,6]C[6]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)	N[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	120.1840	0.000	1	120.1840	0.000	1	120.1840	0.000	1	120.1840	0.000	1	120.8490	2.456	62	121.8617	4.397	150
813	466	537	0:SP2_SP2_SP3	N[5a]	C[6]	O[5a]	4:3:2:	3:4:2:1:	3:3:	C[6]-4:C[5a]-3:O[5a]-2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](N[5a]C[5a]O[5a])(C[6]C[6]HO)(O[6]C[6])(H)	O[5a](N[5a]C[5a]C[6])(C[5a]C[5a]O)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](N[5a]C[5a]O[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5a](N[5a]C[5a]C[6])(C[5a]C[5a]O){1|C<4>,1|O<2>,3|H<1>}	113.8730	0.000	1	113.8730	0.000	1	113.8730	0.000	1	113.8730	0.000	1	113.8730	0.000	1	113.8730	0.000	1
813	466	537	0:SP3_SP2_SP3	N[5a]	C[6]	O[5a]	4:3:2:	3:4:2:1:	3:3:	C[6]-4:C[5a]-3:O[5a]-2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](N[5a]C[5a]O[5a])(C[6]C[6]HO)(O[6]C[6])(H)	O[5a](N[5a]C[5a]C[6])(C[5a]C[5a]O)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](N[5a]C[5a]O[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5a](N[5a]C[5a]C[6])(C[5a]C[5a]O){1|C<4>,1|O<2>,3|H<1>}	113.1240	0.000	1	113.1240	0.000	1	113.1240	0.000	1	113.1240	0.000	1	113.1240	0.000	1	113.1240	0.000	1
813	466	727	0:SP2_SP2_SP3	N[5a,6,6]	C[3x6]	C[5a]	4:3:3:	3:4:3:1:	3:3:1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	N[5a,6,6]-3:N[5a]-3:O-1:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]C)(H)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]C)(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	118.7830	0.000	1	118.7830	0.000	1	118.7707	0.008	3	118.7707	0.008	3	118.7707	0.008	3	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6,6]	C[3x6]	C[5a]	4:3:3:	3:4:3:1:	3:3:1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	N[5a,6,6]-3:N[5a]-3:O-1:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	118.6780	0.000	1	118.6780	0.000	1	118.7707	0.008	3	118.7707	0.008	3	118.7707	0.008	3	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6,6]	C[3x6]	C[5a]	4:3:3:	3:4:3:1:	3:3:1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	N[5a,6,6]-3:N[5a]-3:O-1:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	118.8510	0.000	1	118.8510	0.000	1	118.7707	0.008	3	118.7707	0.008	3	118.7707	0.008	3	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6,6]	C[4x6]	C[5a]	4:3:3:	3:4:3:3:	3:3:1:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6]C[6]O)	C[5a](N[5a,6,6]N[5a,6,6]C[4x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|H<1>,2|O<1>,3|C<4>,4|C<3>}	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[4x6])(N[5a]C[5a]C[6a])(O){1|O<1>,2|C<4>,4|C<3>}	119.3250	0.000	1	119.3250	0.000	1	119.3250	0.000	1	119.3250	0.000	1	122.5105	20.295	2	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6,6]	C[4x6]	C[5a]	4:3:3:	3:4:3:4:	3:3:1:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-4:	N[5a,6,6]-3:N[5a]-3:O-1:	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	C[5a](N[5a,6,6]N[5a,6,6]C[4x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[4x6])(N[5a]C[5a]C[6a])(O){1|O<1>,3|C<3>,3|C<4>}	125.6960	0.000	1	125.6960	0.000	1	125.6960	0.000	1	125.6960	0.000	1	122.5105	20.295	2	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5,5a]	3:4:3:	3:4:4:1:	3:3:2:	C[5,5a]-3:C[6,6]-4:C[5a,6]-3:	N[5a,6]-3:C[3x6]-4:C[6]-4:H-1:	N[5a,6]-3:N[5,5a]-3:S[5]-2:	N[5a,6](C[5,5a]N[5,5a]S[5])(C[6,6]C[3x6]C[6]H)(C[5a,6]C[5a]C[6])	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)	C[5,5a](N[5a,6]C[5a,6]C[6,6])(N[5,5a]C[5a]C[5])(S[5]C[5])	N[5a,6](C[5,5a]N[5,5a]S[5])(C[6,6]C[3x6]C[6]H)(C[5a,6]C[5a]C[6]){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5a](N[5a,6]C[5a,6]C[6,6])(N[5,5a]C[5a]C[5])(S[5]C[5]){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	125.7520	0.000	1	125.7520	0.000	1	125.7520	0.000	1	125.3990	0.249	2	125.3990	0.249	2	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5,5a]	3:4:3:	3:4:4:1:	3:3:2:	C[5,5a]-3:C[6,6]-4:C[5a,6]-3:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	N[5a,6]-3:N[5,5a]-3:S[5]-2:	N[5a,6](C[5,5a]N[5,5a]S[5])(C[6,6]C[6,6]C[6]H)(C[5a,6]C[5a]C[6])	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[5,5a](N[5a,6]C[5a,6]C[6,6])(N[5,5a]C[5a]C[5])(S[5]C[5])	N[5a,6](C[5,5a]N[5,5a]S[5])(C[6,6]C[6,6]C[6]H)(C[5a,6]C[5a]C[6]){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[5,5a](N[5a,6]C[5a,6]C[6,6])(N[5,5a]C[5a]C[5])(S[5]C[5]){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	125.0460	0.000	1	125.0460	0.000	1	125.0460	0.000	1	125.3990	0.249	2	125.3990	0.249	2	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	N[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6,6]C[3x6]N[6]H)	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6,6]C[3x6]N[6]H){2|C<3>,3|H<1>,6|C<4>}	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	127.7030	0.000	1	127.1475	0.617	2	127.1475	0.617	2	127.1475	0.617	2	126.6561	0.583	7	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	N[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6,6]C[3x6]N[6]H)	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6,6]C[3x6]N[6]H){2|H<1>,3|C<3>,6|C<4>}	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	126.5920	0.000	1	127.1475	0.617	2	127.1475	0.617	2	127.1475	0.617	2	126.6561	0.583	7	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	N[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]C[5a]C[6])	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]S)(H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]C[5a]C[6]){1|S<4>,3|C<3>,3|H<1>,4|C<4>}	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]S)(H){2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	125.9535	0.416	2	125.9535	0.173	2	126.4596	0.551	5	126.4596	0.551	5	126.6561	0.583	7	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	N[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]C[5a]C[6])	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]C[5a]C[6]){2|C<3>,4|H<1>,5|C<4>}	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	126.7970	0.767	3	126.7970	0.588	3	126.4596	0.551	5	126.4596	0.551	5	126.6561	0.583	7	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5a]	3:4:3:	3:3:3:3:	3:3:3:	C[5a,6]-3:C[6,6]-4:C[5a]-3:	C[6,6a]-3:C[6,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]2C[6])(C[5a]C[5a]C[6a])	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]2C[6])(C[5a]C[5a]C[6a]){1|H<1>,9|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|N<2>,3|H<1>,8|C<3>}	C[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	126.7390	0.000	1	126.7390	0.000	1	126.7390	0.000	1	126.9123	0.167	3	127.4038	1.441	6	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5a]	3:4:3:	3:3:3:3:	3:3:3:	C[5a,6]-3:C[6,6]-4:C[5a]-3:	C[6,6a]-3:N[5a,6]-3:C[6]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]C[6]2)(C[5a]C[5a]C[6a])	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)2	C[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,8|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)2{1|N<2>,3|H<1>,6|C<3>}	C[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	126.9990	0.537	2	126.9990	0.289	2	126.9990	0.289	2	126.9123	0.167	3	127.4038	1.441	6	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5a]	3:4:3:	3:4:4:1:	3:3:1:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]O)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)(H)	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	129.7620	0.000	1	129.7620	0.000	1	129.7620	0.000	1	129.7620	0.000	1	127.4038	1.441	6	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	C[6,6a]-3:N[5a,6]-3:C[6,6]-3:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](C[6,6]C[6,6a]C[6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(H)	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O)	N[5a,6](C[6,6]C[6,6a]C[6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	127.2760	0.000	1	127.2760	0.000	1	127.2760	0.000	1	127.2760	0.000	1	127.4038	1.441	6	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5a]	4:3:3:	3:3:4:1:	3:3:3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:H-1:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6](C[6,6]C[5a,6]C[6,6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]HH)(H)	C[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H)(CHO)	N[5a,6](C[6,6]C[5a,6]C[6,6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H)(CHO){1|C<4>,2|C<3>,2|H<1>}	126.6480	0.000	1	126.6480	0.000	1	126.6480	0.000	1	126.6480	0.000	1	127.4038	1.441	6	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a,6]-3:N[6]-2:	N[5a,6](C[5a,6]N[5a,6]N[6])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)	C[6](N[5a,6]C[5a,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a,6]N[5a]C[6])(N[6]C[6])	N[5a,6](C[5a,6]N[5a,6]N[6])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a,6]N[5a]C[6])(N[6]C[6]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	128.0230	0.000	1	128.0230	0.000	1	128.0230	0.000	1	128.0230	0.000	1	128.2058	0.186	6	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a,6]-3:	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]2)(C[6]O[6]HH)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[5a,6]C[5a,6]2)(C[6]O[6]HH)(H)2{1|C<4>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6]){2|C<3>,3|C<4>,6|H<1>}	128.1170	0.000	1	128.1170	0.000	1	128.1170	0.000	1	128.5995	0.466	2	128.2058	0.186	6	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	129.0820	0.000	1	129.0820	0.000	1	129.0820	0.000	1	128.5995	0.466	2	128.2058	0.186	6	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]2)(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6]C[6a]O[6]H)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]HH){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[5a,6]HH)(H)2{1|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6]C[6a]O[6]H){1|C<4>,2|H<1>,6|C<3>}	128.0043	0.006	3	128.0043	0.000	3	128.0043	0.000	3	128.0043	0.000	3	128.2058	0.186	6	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:2:4:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:O[6]-2:C[6]-4:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6,6a])(C[6]C[6]2H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O[6]H){2|C<4>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6,6a])(C[6]C[6]2H)(H){2|C<4>,4|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	128.9030	0.000	1	128.9030	0.000	1	128.9030	0.000	1	128.9030	0.000	1	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH){2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,5|H<1>}	126.7315	0.120	2	126.7315	0.014	2	126.8327	0.038	3	126.0136	1.116	8	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]O[6])(C[6]C[6,6a]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]O[6])(C[6]C[6,6a]HH){2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	127.0350	0.000	1	127.0350	0.000	1	126.8327	0.038	3	126.0136	1.116	8	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]Br)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|Br<1>,1|C<4>,1|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]Br)(H)2{1|C<4>,1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	126.0130	0.000	1	126.0130	0.000	1	125.5222	1.129	5	126.0136	1.116	8	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	124.0910	0.000	1	125.1137	1.618	3	125.5222	1.129	5	126.0136	1.116	8	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	124.7120	0.000	1	125.1137	1.618	3	125.5222	1.129	5	126.0136	1.116	8	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2{1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	126.5380	0.000	1	125.1137	1.618	3	125.5222	1.129	5	126.0136	1.116	8	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]I)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|H<1>,1|I<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]I)(H)2{1|C<4>,1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	126.2570	0.000	1	126.2570	0.000	1	125.5222	1.129	5	126.0136	1.116	8	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6a]-3:N[6]-2:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]N[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]N[6]H){3|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6])(H){1|Br<1>,1|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	126.8860	0.304	2	126.8860	0.092	2	126.8860	0.092	2	126.8822	1.486	4	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H){1|H<1>,7|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	128.3560	0.000	1	126.8785	4.366	2	126.8785	4.366	2	126.8822	1.486	4	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H){2|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	125.4010	0.000	1	126.8785	4.366	2	126.8785	4.366	2	126.8822	1.486	4	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[5a]-3:N[6]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5a]N[6]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[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5a]N[6]H){1|S<2>,2|H<1>,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[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	126.2100	0.091	2	126.2100	0.008	2	126.2100	0.008	2	127.9200	2.816	17	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]H){8|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){2|H<1>,7|C<3>}	130.3700	0.064	2	130.3700	0.004	2	130.3700	0.004	2	127.9200	2.816	17	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H){2|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	127.9060	0.000	1	127.6600	0.121	2	127.6600	0.121	2	127.9200	2.816	17	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H){2|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	127.4140	0.000	1	127.6600	0.121	2	127.6600	0.121	2	127.9200	2.816	17	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]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[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){1|N<2>,2|H<1>,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[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	126.0130	0.000	1	126.0130	0.000	1	126.0130	0.000	1	127.9200	2.816	17	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]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[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){2|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[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	128.0980	0.000	1	128.0147	2.579	10	128.0147	2.579	10	127.9200	2.816	17	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]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[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){2|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[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	126.0130	0.000	1	128.0147	2.579	10	128.0147	2.579	10	127.9200	2.816	17	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]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[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){2|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[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	126.4730	0.000	1	128.0147	2.579	10	128.0147	2.579	10	127.9200	2.816	17	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]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[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){2|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[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	128.0433	1.377	3	128.0147	2.579	10	128.0147	2.579	10	127.9200	2.816	17	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]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[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){2|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[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	128.8582	1.842	4	128.0147	2.579	10	128.0147	2.579	10	127.9200	2.816	17	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]2O[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)2(O[6]C[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]2O[6]){1|C<4>,4|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,6|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	127.9285	0.134	2	127.9285	0.018	2	127.9285	0.018	2	127.9285	0.018	2	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5,6]N[5a])(C[6]C[6,6a]C[6a]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5,6]N[5a])(C[6]C[6,6a]C[6a]C){1|C<4>,1|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(CCH){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	126.0970	0.000	1	126.0970	0.000	1	126.0970	0.000	1	126.0970	0.000	1	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]C)	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[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]C){1|N<2>,2|H<1>,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[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	131.9090	0.000	1	131.9090	0.000	1	131.9090	0.000	1	129.1397	5.852	3	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:N[6]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CF3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C){1|C<4>,2|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[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	127.7550	0.448	2	127.7550	0.201	2	127.7550	0.201	2	129.1397	5.852	3	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H){4|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	130.2830	0.000	1	130.2830	0.000	1	126.7157	9.596	3	126.9040	6.539	4	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|F<1>,1|N<2>,1|S<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	124.9320	0.321	2	124.9320	0.103	2	126.7157	9.596	3	126.9040	6.539	4	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:N[6]-3:C[5]-4:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5]N[6]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[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5]N[6]H){1|Fe<10>,2|C<4>,2|H<1>,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[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	127.4690	0.000	1	127.4690	0.000	1	127.4690	0.000	1	126.9040	6.539	4	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:N[6a]-2:	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(N[6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	128.6935	0.240	2	128.7295	0.045	4	128.7295	0.045	4	128.7295	0.045	4	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:N[6a]-2:	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(N[6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(N[6a]C[6a]){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	128.7655	0.271	2	128.7295	0.045	4	128.7295	0.045	4	128.7295	0.045	4	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]C[6]HH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	129.4720	0.865	3	129.4720	0.748	3	129.4720	0.748	3	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[5,6]HH){2|C<3>,2|C<4>,5|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	124.3230	0.000	1	124.3230	0.000	1	124.3230	0.000	1	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:F-1:F-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]FF)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]FF)(F)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]FF){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]FF)(F)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	125.9520	0.000	1	125.9520	0.000	1	125.9520	0.000	1	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	125.1210	0.126	4	125.1210	0.016	4	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]CH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]CH)(H)2{5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	127.1460	0.000	1	127.1460	0.000	1	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	127.5670	0.000	1	127.5670	0.000	1	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	128.2615	1.541	2	128.8263	0.811	6	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	129.1087	0.492	4	128.8263	0.811	6	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	126.7430	0.000	1	126.7430	0.000	1	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<2>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	127.3100	0.000	1	125.7745	1.879	4	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	125.0940	0.000	1	125.7745	1.879	4	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	126.4540	0.000	1	125.7745	1.879	4	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	124.2400	0.000	1	125.7745	1.879	4	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]N[6]H)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	130.9923	0.232	3	130.9923	0.054	3	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]O[6]H)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]O[6]H)(H)2{1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	126.5940	0.000	1	126.5940	0.000	1	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]S[6]H)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]S[6]H)(H)2{1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	121.9050	0.000	1	121.9050	0.000	1	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|S<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	129.4690	0.000	1	129.4690	0.000	1	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	129.0830	0.000	1	127.6375	4.179	2	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,5|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	126.1920	0.000	1	127.6375	4.179	2	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2{4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	131.0430	0.000	1	131.0430	0.000	1	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	126.3380	0.191	2	126.6827	0.216	4	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){3|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	127.0275	0.370	2	126.6827	0.216	4	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]CH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]CH)(H)2{5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	128.1680	0.000	1	128.1680	0.000	1	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	126.7470	0.000	1	126.7055	0.003	2	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	126.6640	0.000	1	126.7055	0.003	2	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	127.9920	0.000	1	127.9920	0.000	1	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	128.8470	0.000	1	128.8470	0.000	1	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(H)2{1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	127.5040	0.000	1	127.5040	0.000	1	127.4420	4.342	36	127.4781	4.443	41	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OC)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OC)(H){3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	126.9550	0.062	2	126.9550	0.004	2	126.6173	0.207	6	125.8634	1.416	9	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H){2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	126.9860	0.000	1	126.4485	0.229	4	126.6173	0.207	6	125.8634	1.416	9	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H){3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	126.2693	0.389	3	126.4485	0.229	4	126.6173	0.207	6	125.8634	1.416	9	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6]HO)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(OH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6]HO){2|C<4>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	124.3557	0.180	3	124.3557	0.032	3	124.3557	0.032	3	125.8634	1.416	9	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	126.7060	0.259	2	126.7060	0.067	2	126.7060	0.067	2	127.3115	0.636	4	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:N-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HN)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(NCC)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HN){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(NCC)(H){3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	127.4850	0.000	1	127.4850	0.000	1	127.4850	0.000	1	127.3115	0.636	4	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)(H){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	128.3490	0.000	1	128.3490	0.000	1	128.3490	0.000	1	127.3115	0.636	4	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:3:2:	3:3:3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-3:O-2:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]CO)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(COO)(OH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]CO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(COO)(OH){3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	126.4900	0.000	1	126.4900	0.000	1	126.4900	0.000	1	126.4900	0.000	1	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH){1|N<3>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(CCHH)(H){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	128.0010	0.000	1	128.0010	0.000	1	129.4310	15.098	3	129.4310	15.098	3	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCHH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]CH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCHH)(H){1|C<4>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	133.8290	0.000	1	133.8290	0.000	1	129.4310	15.098	3	129.4310	15.098	3	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(CCHH)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	126.4630	0.000	1	126.4630	0.000	1	129.4310	15.098	3	129.4310	15.098	3	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:4:2:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CO)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CH)(CH3)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CO){2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CH)(CH3)(OH){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	128.2890	0.665	3	128.2890	0.442	3	127.8235	1.162	4	127.8235	1.162	4	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:4:2:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CO)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CH3)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CO){1|C<4>,2|C<3>,5|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CH3)(OH){1|N<2>,2|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	126.4270	0.000	1	126.4270	0.000	1	127.8235	1.162	4	127.8235	1.162	4	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	N[5a,6]-3:C[6,6]-4:C-4:C-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC)	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6]C[3x6]C[6]H)(CH3)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC){2|C<4>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6]C[3x6]C[6]H)(CH3)2{2|C<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	132.3660	0.115	2	132.3660	0.013	2	132.3660	0.013	2	132.3660	0.013	2	127.5048	4.110	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	N[5a,6]-3:N[5a]-2:H-1:	N[5a,6](C[5a,6,6]C[5a,6]N[6,6])(C[5a]N[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6,6]C[5a])(C[6]C[6]H)(H)2	C[5a](N[5a,6]C[5a,6,6]C[6])(N[5a]C[5a,6])(H)	N[5a,6](C[5a,6,6]C[5a,6]N[6,6])(C[5a]N[5a]H)(C[6]C[6]HH){1|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6,6]C[5a])(C[6]C[6]H)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6,6]C[6])(N[5a]C[5a,6])(H){1|N<3>,2|C<3>,2|H<1>}	132.7030	0.000	1	132.7030	0.000	1	132.7030	0.000	1	132.7030	0.000	1	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5,6]C)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5,6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,3|H<1>}	126.6580	0.000	1	126.6580	0.000	1	127.5147	0.995	3	124.5190	17.500	5	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]O)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|C<4>,2|H<1>,3|C<3>}	127.9430	0.943	2	127.9430	0.890	2	127.5147	0.995	3	124.5190	17.500	5	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)2	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	119.4320	0.000	1	119.4320	0.000	1	120.0255	0.704	2	124.5190	17.500	5	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.6190	0.000	1	120.6190	0.000	1	120.0255	0.704	2	124.5190	17.500	5	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6,6a]-3:N[5a,6]-3:H-1:H-1:	N[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6,6a]HH){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2{1|H<1>,1|S<2>,2|N<2>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,3|C<3>,4|H<1>}	131.6400	0.000	1	131.6400	0.000	1	131.6400	0.000	1	131.6400	0.000	1	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6,6a]-3:N[5a,6]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]HH){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2{1|H<1>,1|N<3>,5|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)(C[6a]C[6a]2){1|N<3>,4|C<3>,4|H<1>}	126.1007	1.737	3	126.1007	3.018	3	126.1007	3.018	3	126.1007	3.018	3	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:3:2:1:	3:2:1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:O-2:H-1:	N[5a,6]-3:N[5a]-2:H-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HO)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]H)(OH)(H)	C[5a](N[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a])(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HO){1|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]H)(OH)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a])(H){1|H<1>,1|O<2>,3|C<3>}	131.2810	0.000	1	131.2810	0.000	1	131.2810	0.000	1	131.2810	0.000	1	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:O-2:H-1:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HO)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(OC)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HO){1|O<2>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	123.5710	0.000	1	123.5710	0.000	1	123.5710	0.000	1	123.5710	0.000	1	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,7|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[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	126.5070	0.000	1	126.5070	0.000	1	126.5070	0.000	1	126.5070	0.000	1	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:C-4:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCCH)(H)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|O<1>,2|C<3>,3|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	127.8060	0.000	1	127.8060	0.000	1	127.8060	0.000	1	127.8060	0.000	1	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:3:4:4:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:N[6]-3:C-4:C-4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC)	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC){1|H<1>,5|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[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	130.3860	0.462	3	130.3860	0.214	3	130.3860	0.214	3	130.3860	0.214	3	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:S[5a]-2:O-1:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a](N[5a,6]N[5a,6]C[6])(S[5a]C[5a])(O)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,4|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[5a](N[5a,6]N[5a,6]C[6])(S[5a]C[5a])(O){1|O<1>,2|C<4>,2|H<1>}	121.3400	0.000	1	121.3400	0.000	1	121.3400	0.000	1	121.3400	0.000	1	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:C-3:	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]O)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	130.7670	0.000	1	130.7670	0.000	1	130.7670	0.000	1	130.7670	0.000	1	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:C-4:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CH3)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	128.2860	0.000	1	128.2860	0.000	1	128.2860	0.000	1	128.2860	0.000	1	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:F-1:F-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]FF)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]FF)(F)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]FF){1|H<1>,1|O<2>,2|C<4>,2|F<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]FF)(F)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){2|C<4>,2|F<1>}	127.5660	0.000	1	127.5660	0.000	1	128.1308	1.480	4	126.0480	4.585	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:F-1:F-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FF)(F)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF){1|H<1>,1|O<2>,2|C<4>,2|F<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FF)(F)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){2|C<4>,2|F<1>}	126.6860	0.000	1	128.3190	2.007	3	128.1308	1.480	4	126.0480	4.585	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:F-1:F-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FF)(F)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF){1|H<1>,2|C<3>,2|F<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FF)(F)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,2|F<1>}	129.1355	0.120	2	128.3190	2.007	3	128.1308	1.480	4	126.0480	4.585	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:Cl-1:	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]Cl)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]Cl)(Cl)	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]Cl)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|N<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2{1|Cl<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]Cl)(Cl){1|C<3>,1|C<4>,2|H<1>}	131.0990	0.000	1	131.0990	0.000	1	131.0990	0.000	1	126.0480	4.585	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,3|H<1>}	126.8880	0.000	1	126.8880	0.000	1	125.7107	1.895	11	126.0480	4.585	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|C<3>,2|C<4>,2|H<1>}	124.9450	0.148	2	124.9450	0.022	2	125.7107	1.895	11	126.0480	4.585	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<2>,2|C<4>,4|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	124.4380	0.000	1	124.8822	3.173	4	125.7107	1.895	11	126.0480	4.585	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,2|C<4>,2|H<1>}	123.1100	0.000	1	124.8822	3.173	4	125.7107	1.895	11	126.0480	4.585	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){2|C<4>,5|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	125.9905	1.930	2	124.8822	3.173	4	125.7107	1.895	11	126.0480	4.585	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6,6]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,5|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	126.1520	0.000	1	126.1520	0.000	1	125.7107	1.895	11	126.0480	4.585	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|C<3>,2|C<4>,2|H<1>}	126.5560	0.000	1	126.5560	0.000	1	125.7107	1.895	11	126.0480	4.585	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){2|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,3|H<1>}	127.3240	0.000	1	127.3240	0.000	1	125.7107	1.895	11	126.0480	4.585	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,1|F<1>,4|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){2|C<4>,2|H<1>}	126.4790	0.000	1	126.4790	0.000	1	125.7107	1.895	11	126.0480	4.585	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:O-1:	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O)	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O){1|C<4>,1|N<2>,2|H<1>}	123.6635	0.177	2	123.3333	0.343	3	123.3333	0.343	3	126.0480	4.585	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:O-1:	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O)	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(C[6]C[6]HH){1|Co<5>,1|C<3>,1|C<4>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O){1|C<4>,1|N<3>,2|H<1>}	122.6730	0.000	1	123.3333	0.343	3	123.3333	0.343	3	126.0480	4.585	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5a,6]N[5a]H)(H)2	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5a,6]N[5a]H)(H)2{1|O<1>,2|N<3>,4|C<3>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	125.6340	0.000	1	125.6340	0.000	1	125.2835	0.246	2	126.0480	4.585	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(H)2	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	124.9330	0.000	1	124.9330	0.000	1	125.2835	0.246	2	126.0480	4.585	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:O-2:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C)(OH)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]O)(C[6]C[6]HH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C)(OH){1|C<4>,2|C<3>,2|H<1>}	129.6780	0.000	1	129.6780	0.000	1	129.6780	0.000	1	128.5825	2.400	2	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-2:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CN)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<2>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CN){1|C<4>,3|C<3>,3|H<1>}	127.4870	0.000	1	127.4870	0.000	1	127.4870	0.000	1	128.5825	2.400	2	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|C<4>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	131.3640	0.000	1	131.3640	0.000	1	131.3640	0.000	1	128.0767	2.006	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5,5a]-3:N[5a,6]-3:C-3:	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a](C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a,6]C[6])(COO)	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a,6]C[6])(COO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	128.1930	0.000	1	128.1930	0.000	1	128.1930	0.000	1	128.0767	2.006	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C-3:	N[5a,6](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a,6]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]C[6])(COO)	N[5a,6](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a,6]C)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]C[6])(COO){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	128.0110	0.000	1	128.0110	0.000	1	128.0110	0.000	1	128.0767	2.006	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]O)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]O){1|C<4>,2|H<1>,4|C<3>}	127.8280	0.000	1	127.8280	0.000	1	128.3464	1.301	9	128.0767	2.006	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(COO)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(COO){1|C<4>,2|H<1>,4|C<3>}	128.0390	0.000	1	128.8513	0.536	3	128.3464	1.301	9	128.0767	2.006	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(COO)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(COO){1|C<4>,3|C<3>,3|H<1>}	129.2575	0.286	2	128.8513	0.536	3	128.3464	1.301	9	128.0767	2.006	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CC[6a]O)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	127.2317	0.686	3	127.2317	0.470	3	128.3464	1.301	9	128.0767	2.006	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(COO)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	130.1830	0.000	1	129.5205	0.878	2	128.3464	1.301	9	128.0767	2.006	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(COO)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|S<4>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(COO){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	128.8580	0.000	1	129.5205	0.878	2	128.3464	1.301	9	128.0767	2.006	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]2)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]2)(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]C){2|C<4>,2|H<1>,5|C<3>}	127.0430	0.000	1	127.0430	0.000	1	127.0430	0.000	1	128.0767	2.006	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	125.9775	0.172	2	125.9775	0.030	2	127.5876	2.297	7	128.0767	2.006	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,2|N<3>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{5|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	127.4470	0.000	1	127.4470	0.000	1	127.5876	2.297	7	128.0767	2.006	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|N<2>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	130.4330	0.000	1	130.4330	0.000	1	127.5876	2.297	7	128.0767	2.006	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	127.9070	0.000	1	127.9070	0.000	1	127.5876	2.297	7	128.0767	2.006	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|S<4>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	127.2800	0.000	1	127.2800	0.000	1	127.5876	2.297	7	128.0767	2.006	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	128.0910	0.000	1	128.0910	0.000	1	127.5876	2.297	7	128.0767	2.006	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:N-3:	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(NHH)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N)(C[6]C[6]HH){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|N<3>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(NHH){1|C<4>,2|C<3>,2|H<1>}	126.7690	0.000	1	126.7690	0.000	1	126.7690	0.000	1	128.0767	2.006	21	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C)(CCHH)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C)(CCHH){1|C<4>,2|C<3>,2|H<1>}	131.0410	0.000	1	131.0410	0.000	1	130.1610	0.650	3	128.6027	5.822	6	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[6a])(CH3)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	129.7210	0.373	2	129.7210	0.139	2	130.1610	0.650	3	128.6027	5.822	6	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	129.7290	0.000	1	129.7290	0.000	1	127.0443	6.620	3	128.6027	5.822	6	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|C<4>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	126.8040	0.000	1	126.8040	0.000	1	127.0443	6.620	3	128.6027	5.822	6	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]S)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|S<4>,2|C<4>,4|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]S)(CH3){2|H<1>,3|C<4>}	124.6000	0.000	1	124.6000	0.000	1	127.0443	6.620	3	128.6027	5.822	6	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:2:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:O-2:H-1:	N[5a,6]-3:C[5a]-3:O-1:	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]HO)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(OH)(H)	C[5a](N[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(O)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a](N[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(O){1|O<2>,2|C<4>,2|H<1>}	127.5625	0.844	2	127.5625	0.712	2	127.5625	0.712	2	127.5625	0.712	2	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-3:H-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]N[6]H)(COO)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]N[6]H)(COO)(H){1|H<1>,6|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.1770	0.000	1	128.1770	0.000	1	128.7313	3.313	8	128.7313	3.313	8	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-3:H-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(COO)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,3|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,2|C<4>,2|H<1>}	124.8310	0.000	1	124.8310	0.000	1	128.7313	3.313	8	128.7313	3.313	8	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-3:H-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(CC[6a]O)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|N<2>,4|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(CC[6a]O)(H){1|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>,2|H<1>}	129.3150	0.000	1	129.3150	0.000	1	128.7313	3.313	8	128.7313	3.313	8	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-3:H-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(COO)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(COO)(H){1|C<4>,1|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>,2|H<1>}	128.9620	0.675	3	129.5054	1.084	5	128.7313	3.313	8	128.7313	3.313	8	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-3:H-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(COO)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(COO)(H){1|H<1>,6|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>,2|H<1>}	130.3205	1.100	2	129.5054	1.084	5	128.7313	3.313	8	128.7313	3.313	8	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-3:H-1:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CCH)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CC[6a]O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH){1|N<3>,6|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CCH)(H){2|C<4>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>}	127.8820	0.000	1	127.8820	0.000	1	127.8820	0.000	1	127.8820	0.000	1	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:Br-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(Br){1|C<3>,2|C<4>,2|H<1>}	128.0755	0.298	2	128.0755	0.089	2	128.3387	0.252	3	128.4756	0.183	5	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:Br-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CC[5a]HH)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CC[5a]HH)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(Br){1|C<3>,2|C<4>,2|H<1>}	128.8650	0.000	1	128.8650	0.000	1	128.3387	0.252	3	128.4756	0.183	5	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,2|C<4>,2|H<1>}	128.6810	0.298	2	128.6810	0.089	2	128.6810	0.089	2	128.4756	0.183	5	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:4:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]C[6]H)(CH3)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH){2|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]C[6]H)(CH3)(H){1|C<4>,1|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	126.6380	0.000	1	126.6380	0.000	1	126.8183	0.064	3	126.8183	0.064	3	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:4:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CH3)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	126.9085	0.281	2	126.9085	0.079	2	126.8183	0.064	3	126.8183	0.064	3	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:4:3:	3:3:1:1:	3:3:1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6,6a]-3:N[5a,6]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)(C[5a]C[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)(C[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2{1|H<1>,6|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){2|C<3>,3|H<1>}	125.7260	0.000	1	125.7260	0.000	1	125.7260	0.000	1	125.3822	0.105	5	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:4:3:	3:3:1:1:	3:3:1:	C[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]HH)(C[5a]C[5a]H)	C[6](N[5a,6]C[5a,6]C[5a])2(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]HH)(C[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])2(H)2{2|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,3|H<1>}	125.2963	0.302	4	125.2963	0.091	4	125.2963	0.091	4	125.3822	0.105	5	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:4:3:	3:3:2:1:	3:3:1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:N[5a,6]-3:O-2:H-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]HO)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(OH)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]HO)(C[5a]C[5a]H){1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(OH)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	125.3740	0.000	1	125.3740	0.000	1	125.3740	0.000	1	125.3740	0.000	1	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:4:3:	3:3:2:4:	3:3:1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:O[6]-2:C-4:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[5a]O[6]C)(C[5a]C[5a]H)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[5a]C[5a,6a]C[5a])(O[6]C[6])(CF3)	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[5a]O[6]C)(C[5a]C[5a]H){1|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[5a]C[5a,6a]C[5a])(O[6]C[6])(CF3){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	130.0825	0.525	2	130.0825	0.276	2	130.0825	0.276	2	130.0825	0.276	2	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:4:3:	3:3:3:1:	3:3:1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[5a]C[5a]H)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]Cl)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[5a]C[5a]H){1|Cl<1>,6|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]Cl)(H){1|H<1>,4|C<3>}	127.3390	0.177	2	127.3390	0.031	2	127.3390	0.031	2	122.5345	2.330	24	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:4:3:	3:3:3:1:	3:3:1:	C[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:O-1:	N[5a,6](C[5a,6]S[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]O)	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O)	N[5a,6](C[5a,6]S[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]O){5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O){1|H<1>,1|N<2>,2|C<3>}	122.1024	0.398	21	122.1024	0.159	21	122.1024	0.159	21	122.5345	2.330	24	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:4:3:	3:3:3:1:	3:3:1:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[5,6]-3:C[6a]-3:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](N[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]N[5a]O)	C[6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]N[5a]O){1|C<4>,1|O<1>,6|C<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	121.9990	0.000	1	121.9990	0.000	1	121.9990	0.000	1	122.5345	2.330	24	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:4:3:	3:3:4:1:	3:2:1:	C[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	N[5a,6]-3:N[5a]-2:H-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|C<3>,2|C<4>,2|H<1>}	126.2990	0.696	2	127.3973	3.861	3	127.3973	3.861	3	127.4640	2.592	4	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:4:3:	3:3:4:1:	3:2:1:	C[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	N[5a,6]-3:N[5a]-2:H-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|C<4>,2|C<3>,2|H<1>}	129.5940	0.000	1	127.3973	3.861	3	127.3973	3.861	3	127.4640	2.592	4	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:4:3:	3:3:4:1:	3:2:1:	C[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:N[6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[5a]-2:H-1:	N[5a,6](C[5a,6]C[5a]N[6])(C[6]N[6a]C[6]H)(C[5a]N[5a]H)	C[6](N[5a,6]C[5a,6]C[5a])(N[6a]C[6a]2)(C[6]C[6]HO)(H)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a,6](C[5a,6]C[5a]N[6])(C[6]N[6a]C[6]H)(C[5a]N[5a]H){1|C<4>,1|D<1>,1|H<1>,1|O<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(N[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,2|C<3>,2|N<2>,4|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	127.6640	0.000	1	127.6640	0.000	1	127.6640	0.000	1	127.4640	2.592	4	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:4:3:	3:3:4:1:	3:3:1:	C[5a,6,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H)	C[6](N[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[5a](N[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]C)(H)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]C)(H){1|C<3>,1|H<1>,3|C<4>}	126.6720	0.000	1	126.6720	0.000	1	126.6720	0.000	1	127.9287	1.189	3	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:4:3:	3:3:4:1:	3:3:1:	C[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]S[5a])(C[6]C[6]CH)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]S[5a])(C[6]C[6]CH)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	128.5570	0.092	2	128.5570	0.008	2	128.5570	0.008	2	127.9287	1.189	3	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:4:3:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[5,6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(C[5a]C[5a]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5]O[5]O[6])(H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CHO)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(C[5a]C[5a]C){1|C<4>,2|O<2>,4|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5]O[5]O[6])(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CHO){2|C<4>,3|H<1>}	126.8890	0.000	1	126.8890	0.000	1	126.8890	0.000	1	126.8890	0.000	1	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:4:3:	3:4:2:1:	3:3:1:	C[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[5,6]-4:N-2:H-1:	N[5a,6]-3:C[5a]-3:Br-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HN)(C[5a]C[5a]Br)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5]N)(NS)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]Br)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HN)(C[5a]C[5a]Br){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5]N)(NS)(H){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]Br)(Br){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	129.6980	0.000	1	129.6980	0.000	1	129.6980	0.000	1	129.6980	0.000	1	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:4:3:	3:4:3:1:	3:3:3:	C[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[5,6]-4:C-3:H-1:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(C[5a]C[5a]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(COO)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(C[5a]C[5a]C){1|C<3>,2|C<4>,4|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(COO){1|C<3>,2|C<4>,2|H<1>}	124.9220	0.081	2	124.9220	0.006	2	124.9220	0.006	2	124.9220	0.006	2	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:4:3:	3:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[5,6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]C)(CH3)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]C)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){2|H<1>,3|C<4>}	126.5740	0.000	1	126.5740	0.000	1	126.5210	0.006	2	126.5210	0.006	2	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:4:3:	3:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[5,6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6])(CH3)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C){1|O<2>,3|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6])(CH3){1|C<3>,3|H<1>,4|C<4>}	126.4680	0.000	1	126.4680	0.000	1	126.5210	0.006	2	126.5210	0.006	2	126.5182	8.509	134	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[3x6]	C[5a,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[3x6]-4:C[5a]-3:	N[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[3x6]C[6,6]3)(C[5a]N[5a]H)	C[3x6](N[5a]C[5a,6a]C[5a])(C[6,6]C[3x6]HH)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[3x6]C[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[3x6]C[6,6]3)(C[5a]N[5a]H){2|C<3>,3|C<4>,7|H<1>}	C[3x6](N[5a]C[5a,6a]C[5a])(C[6,6]C[3x6]HH)3{1|N<2>,2|C<3>,3|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[3x6]C[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	128.3300	0.000	1	128.3300	0.000	1	128.3300	0.000	1	128.3300	0.000	1	128.3300	0.000	1	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[3x6]	C[5a]	3:4:3:	3:4:4:4:	3:2:1:	C[5a,6a]-3:C[3x6]-4:C[5a]-3:	N[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[3x6]C[6,6]3)(C[5a]N[5a]H)	C[3x6](N[5a]C[5a,6a]C[5a])(C[6,6]C[3x6]HH)3	C[5a](N[5a]C[5a,6a]C[3x6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[3x6]C[6,6]3)(C[5a]N[5a]H){2|C<3>,3|C<4>,7|H<1>}	C[3x6](N[5a]C[5a,6a]C[5a])(C[6,6]C[3x6]HH)3{1|N<2>,2|C<3>,3|C<4>,4|H<1>}	C[5a](N[5a]C[5a,6a]C[3x6])(N[5a]C[5a,6a])(H){2|C<3>,3|C<4>}	126.3100	0.000	1	126.3100	0.000	1	126.3100	0.000	1	126.3100	0.000	1	129.0314	2.564	5	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[3x6]	C[5a]	4:3:2:	3:4:4:4:	3:3:2:	C[3x6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[5a]-3:C[5a]-3:C-2:	N[5a](C[3x6]C[6,6]3)(C[5a]C[5a]C)(N[5a]N[5a])	C[3x6](N[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3	C[5a](N[5a]C[3x6]N[5a])(C[5a]C[6a]N[5a])(CN)	N[5a](C[3x6]C[6,6]3)(C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,3|C<4>,6|H<1>}	C[3x6](N[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3{1|C<2>,1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[5a](N[5a]C[3x6]N[5a])(C[5a]C[6a]N[5a])(CN){2|C<3>,3|C<4>}	129.7117	0.576	4	129.7117	0.332	4	129.7117	0.332	4	129.7117	0.332	4	129.0314	2.564	5	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6,6]	C[5a]	4:3:3:	4:4:3:1:	3:2:1:	C[6,6]-4:C[5a]-3:C[5a]-3:	C[6,6]-4:C[3x6]-4:N[5a]-3:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6,6](C[6,6]C[3x6]N[5a]H)(C[3x6]C[6,6,6a]2H)(N[5a]C[5a]2)(H)	C[5a](N[5a]C[6,6]C[5a])(N[5a]C[5a])(H)	N[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[3x6]N[5a]H)(C[3x6]C[6,6,6a]2H)(N[5a]C[5a]2)(H){1|N<2>,3|H<1>,7|C<3>}	C[5a](N[5a]C[6,6]C[5a])(N[5a]C[5a])(H){2|C<4>,3|H<1>}	127.3505	4.331	2	127.3505	18.758	2	127.3505	18.758	2	127.3505	18.758	2	126.7487	8.065	6	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6,6]	C[5a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[5a]-3:C[5a]-3:	C[6,6]-4:C[3x6]-4:N[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6,6](C[6,6]C[3x6]N[5a]H)(C[3x6]C[6,6,6a]2H)(N[5a]C[5a]2)(H)	C[5a](N[5a]C[6,6]C[5a])(C[5a]N[5a]H)(H)	N[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[3x6]N[5a]H)(C[3x6]C[6,6,6a]2H)(N[5a]C[5a]2)(H){1|N<2>,3|H<1>,7|C<3>}	C[5a](N[5a]C[6,6]C[5a])(C[5a]N[5a]H)(H){2|C<4>,2|H<1>}	126.1300	4.333	2	126.1300	18.776	2	126.1300	18.776	2	126.1300	18.776	2	126.7487	8.065	6	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6,6]	C[5a]	4:3:3:	4:4:3:3:	3:2:1:	C[6,6]-4:C[5a]-3:C[5a]-3:	C[3x6]-4:C[3x6]-4:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[6,6]C[3x6]2C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(N[5a]C[5a]2)	C[5a](N[5a]C[6,6]C[5a])(N[5a]C[5a])(H)	N[5a](C[6,6]C[3x6]2C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(N[5a]C[5a]2){11|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C[5a](N[5a]C[6,6]C[5a])(N[5a]C[5a])(H){1|C<3>,2|C<4>,2|H<1>}	125.9590	0.000	1	125.9590	0.000	1	125.9590	0.000	1	125.9590	0.000	1	126.7487	8.065	6	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6,6]	C[5a]	4:3:3:	4:4:3:3:	3:3:1:	C[6,6]-4:C[5a]-3:C[5a]-3:	C[3x6]-4:C[3x6]-4:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6,6]C[3x6]2C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(N[5a]C[5a]2)	C[5a](N[5a]C[6,6]C[5a])(C[5a]N[5a]H)(H)	N[5a](C[6,6]C[3x6]2C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(N[5a]C[5a]2){11|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C[5a](N[5a]C[6,6]C[5a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,2|C<4>}	127.5720	0.000	1	127.5720	0.000	1	127.5720	0.000	1	127.5720	0.000	1	126.7487	8.065	6	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5,5a]	3:3:4:	3:4:4:1:	3:3:2:	C[5,5a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[5,5a]-3:N[5a]-3:N[5]-2:	N[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]N)(C[6]C[6]2H)	C[6](N[5a]C[5,5a]C[5a])(C[6]C[6]HH)2(H)	C[5,5a](C[5,5a]C[5,6a]C[5a])(N[5a]C[5a]C[6])(N[5]C[5,6a])	N[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]N)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](N[5a]C[5,5a]C[5a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(N[5a]C[5a]C[6])(N[5]C[5,6a]){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	125.6880	0.000	1	125.6880	0.000	1	125.6880	0.000	1	125.6880	0.000	1	125.6880	0.000	1	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[5a,6]HH)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6]H){4|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[5a,6]HH)(H){1|H<1>,1|N<3>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	125.5450	1.203	2	125.5450	1.448	2	125.5450	1.448	2	125.5450	1.448	2	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6])(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	120.8675	0.766	2	120.8675	0.586	2	120.8675	0.586	2	120.8675	0.586	2	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6]){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	126.9900	0.000	1	126.9900	0.000	1	126.4010	0.694	2	127.0660	5.279	6	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6]){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	125.8120	0.000	1	125.8120	0.000	1	126.4010	0.694	2	127.0660	5.279	6	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	125.2600	0.000	1	125.2600	0.000	1	127.3985	8.125	4	127.0660	5.279	6	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	124.6390	0.000	1	124.6390	0.000	1	127.3985	8.125	4	127.0660	5.279	6	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	129.8475	0.439	2	129.8475	0.193	2	127.3985	8.125	4	127.0660	5.279	6	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:3:4:	3:4:2:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	N[5a]-3:C[6]-4:O[6]-2:C-4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6]){1|O<2>,4|C<4>,5|C<3>}	125.0070	0.000	1	123.5340	4.339	2	123.5340	4.339	2	126.2057	12.665	4	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:3:4:	3:4:2:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	N[5a]-3:C[6]-4:O[6]-2:C-4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6]){1|O<2>,4|C<4>,5|C<3>}	122.0610	0.000	1	123.5340	4.339	2	123.5340	4.339	2	126.2057	12.665	4	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:3:4:	3:4:2:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	N[5a]-3:C[6]-4:O[6]-2:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	127.2800	0.000	1	128.8775	5.104	2	128.8775	5.104	2	126.2057	12.665	4	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:3:4:	3:4:2:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	N[5a]-3:C[6]-4:O[6]-2:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	130.4750	0.000	1	128.8775	5.104	2	128.8775	5.104	2	126.2057	12.665	4	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6]C[6]2H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6]C[6]2H){1|O<2>,4|H<1>,6|C<3>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	124.9130	0.000	1	124.9130	0.000	1	124.9130	0.000	1	124.9130	0.000	1	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]N[6]HH)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]N[6]HH)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6]){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	125.0440	0.000	1	125.0440	0.000	1	125.0440	0.000	1	126.5311	4.361	11	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H){2|C<4>,4|C<3>,4|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	121.1000	0.000	1	121.1000	0.000	1	126.6798	4.575	10	126.5311	4.361	11	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6]C[6]2H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6]C[6]2H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	125.9845	0.890	2	125.9845	0.793	2	126.6798	4.575	10	126.5311	4.361	11	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6]2H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6]2H){2|C<4>,4|C<3>,5|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	127.4720	0.096	2	127.4720	0.009	2	126.6798	4.575	10	126.5311	4.361	11	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	126.8910	0.000	1	126.8910	0.000	1	126.6798	4.575	10	126.5311	4.361	11	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,6|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|N<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	127.9735	0.306	4	127.9735	0.093	4	126.6798	4.575	10	126.5311	4.361	11	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:4:2:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[6,6a]-3:N[5a]-3:O[6]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]O[6]H)(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(O[6]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]O[6]H)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(O[6]C[6])(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	127.1070	0.000	1	127.1070	0.000	1	127.1070	0.000	1	127.7325	0.783	2	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:4:2:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-3:O[6]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(N[5a]N[5a])	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]H)(O[6]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]H)(O[6]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	128.3580	0.000	1	128.3580	0.000	1	128.3580	0.000	1	127.7325	0.783	2	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:4:2:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[5a]N[5a])	C[6](C[6,6a]C[5,6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[5a]N[5a]){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	130.0270	0.000	1	130.0270	0.000	1	131.0515	2.099	2	131.0515	2.099	2	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:4:2:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]CN)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]CN)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	132.0760	0.000	1	132.0760	0.000	1	131.0515	2.099	2	131.0515	2.099	2	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:4:2:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(N[5a]N[5a])	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>}	129.0730	0.000	1	129.0730	0.000	1	129.0730	0.000	1	129.0730	0.000	1	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:4:2:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(N[5a]N[5a])	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(N[5a]N[5a]){1|C<4>,3|C<3>,3|H<1>}	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	129.0030	0.000	1	129.0030	0.000	1	129.0030	0.000	1	129.0030	0.000	1	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	125.7730	0.083	2	125.7730	0.007	2	125.4070	0.405	3	125.4070	0.405	3	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]N)(H){1|C<4>,4|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<3>,2|C<3>,3|H<1>}	124.6750	0.000	1	124.6750	0.000	1	125.4070	0.405	3	125.4070	0.405	3	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|C<4>,2|N<2>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a]){2|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	125.5210	0.404	2	125.5210	0.164	2	125.5210	0.164	2	125.5210	0.164	2	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[6]-4:C[5a]-3:	N[5a]-3:C[5,6]-4:O[6]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H)	C[6](N[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](N[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,2|N<2>,4|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	127.9800	0.000	1	127.9800	0.000	1	127.9800	0.000	1	126.8383	0.784	8	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[6]-4:C[5a]-3:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|N<2>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	125.6910	0.000	1	126.8287	1.014	3	126.6751	0.666	7	126.8383	0.784	8	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[6]-4:C[5a]-3:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|N<2>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	127.3975	0.295	2	126.8287	1.014	3	126.6751	0.666	7	126.8383	0.784	8	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[6]-4:C[5a]-3:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]S[6]HH)(O[6]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]S[6]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	126.5600	0.784	4	126.5600	0.615	4	126.6751	0.666	7	126.8383	0.784	8	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]C[5a]H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]MoH)(O[6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]C[5a]H){1|Mo<10>,1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]MoH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	122.6400	0.000	1	122.6400	0.000	1	122.6400	0.000	1	122.6400	0.000	1	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a,6a]	3:4:3:	4:3:2:1:	3:3:2:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5,6]-4:N[5a]-3:O[6]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H)	C[6](C[5,6]N[5,5,6]O[5]H)(N[5a]C[5a,6a]C[5a])(O[6]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[5,6]N[5,5,6]O[5]H)(N[5a]C[5a,6a]C[5a])(O[6]C[6])(H){1|C<3>,2|H<1>,2|N<2>,4|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	125.5805	1.309	2	125.5805	1.713	2	125.5805	1.713	2	125.5805	1.713	2	126.4211	5.771	48	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-3:H-1:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6]C[6]2H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H)	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6]C[6]2H){1|O<2>,4|H<1>,6|C<3>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H){1|H<1>,6|C<3>}	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	126.6500	0.000	1	126.6500	0.000	1	126.6500	0.000	1	126.6500	0.000	1	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	3:4:4:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]N[6]HH)(H)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]N[6]HH)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H){1|H<1>,2|C<3>,2|C<4>}	128.9860	0.000	1	128.9860	0.000	1	128.9860	0.000	1	126.2725	14.726	2	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	3:4:4:1:	3:2:1:	C[5a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a]C[5a]N)(C[5a]O[5a]O)(C[6]C[6]2H)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H)	C[5a](N[5a]C[5a]C[6])(O[5a]C[5a])(O)	N[5a](C[5a]C[5a]N)(C[5a]O[5a]O)(C[6]C[6]2H){1|C<3>,2|C<4>,4|H<1>}	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,4|H<1>}	C[5a](N[5a]C[5a]C[6])(O[5a]C[5a])(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	123.5590	0.000	1	123.5590	0.000	1	123.5590	0.000	1	126.2725	14.726	2	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	3:4:4:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(NC[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(NC[6]){1|H<1>,2|C<3>,2|C<4>}	127.7780	0.000	1	127.7780	0.000	1	127.7780	0.000	1	127.7780	0.000	1	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	3:4:4:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:N[5a]-2:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6]2H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[5a]C[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6]2H){2|C<4>,4|C<3>,5|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[5a]C[5a]2){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	125.1450	1.010	2	125.1450	1.020	2	125.1450	1.020	2	125.1450	1.020	2	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	3:4:4:1:	3:2:4:	C[5a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]2H)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H)	C[5a](N[5a]C[5a]C[6])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|N<2>,4|H<1>}	C[5a](N[5a]C[5a]C[6])(N[5a]N[5a])(CH3){1|C<3>,1|H<1>,2|C<4>}	130.6270	0.000	1	130.6270	0.000	1	130.6270	0.000	1	130.6270	0.000	1	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6]C[6]2H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6]C[6]2H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	125.5565	0.770	2	125.5565	0.593	2	125.5565	0.593	2	123.4860	3.226	8	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,6|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|N<3>,4|H<1>}	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(O){1|H<1>,2|C<3>,2|C<4>}	122.1415	0.913	4	122.1415	0.834	4	122.1415	0.834	4	123.4860	3.226	8	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])(O)	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	124.1045	1.708	2	124.1045	2.916	2	124.1045	2.916	2	123.4860	3.226	8	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	3:4:4:1:	3:3:2:	C[5,5a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]N)(C[6]C[6]2H)	C[6](N[5a]C[5,5a]C[5a])(C[6]C[6]HH)2(H)	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6])(NC[6])	N[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]N)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](N[5a]C[5,5a]C[5a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6])(NC[6]){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	123.6550	0.000	1	123.6550	0.000	1	123.6550	0.000	1	124.6923	0.854	3	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(C[5a]O[5a]O)(C[6]C[6]2H)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H)	C[5a](N[5a]C[5a]C[6])(C[5a]O[5a]C)(NC[6])	N[5a](C[5a]C[5a]N)(C[5a]O[5a]O)(C[6]C[6]2H){1|C<3>,2|C<4>,4|H<1>}	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,4|H<1>}	C[5a](N[5a]C[5a]C[6])(C[5a]O[5a]C)(NC[6]){1|H<1>,1|O<1>,2|C<4>}	125.4280	0.000	1	125.4280	0.000	1	125.4280	0.000	1	124.6923	0.854	3	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]2H)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H)	C[5a](N[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|N<2>,4|H<1>}	C[5a](N[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	124.9940	0.000	1	124.9940	0.000	1	124.9940	0.000	1	124.6923	0.854	3	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H){2|C<4>,4|C<3>,4|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(CCH){1|H<1>,2|C<3>,2|C<4>}	130.0430	0.000	1	130.0430	0.000	1	130.0430	0.000	1	125.7725	36.474	2	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|C<4>,3|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	121.5020	0.000	1	121.5020	0.000	1	121.5020	0.000	1	125.7725	36.474	2	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	3:4:4:1:	3:3:4:	C[5a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|C<4>,3|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	127.2300	0.000	1	127.2300	0.000	1	127.2300	0.000	1	127.2300	0.000	1	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	3:4:4:2:	3:3:1:	C[5a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:C-2:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2C)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])(O)	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2C){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(CC){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])(O){1|C<2>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	124.4305	4.929	2	124.4305	24.297	2	124.4305	24.297	2	124.4305	24.297	2	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	4:3:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6]-4:N[5a]-3:C[6]-4:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])(O)	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[5]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	123.8210	3.452	4	123.8210	11.914	4	123.4788	6.713	14	123.4788	6.713	14	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	4:3:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6]-4:N[5a]-3:C[6]-4:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])(O)	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	123.0736	2.100	8	123.0736	4.411	8	123.4788	6.713	14	123.4788	6.713	14	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	4:3:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6]-4:N[5a]-3:C[6]-4:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H)	C[6](C[6]N[6a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])(O)	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	124.4150	4.137	2	124.4150	17.111	2	123.4788	6.713	14	123.4788	6.713	14	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:2:	3:3:4:1:	3:3:1:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-3:C[6]-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	127.1040	0.000	1	127.1040	0.000	1	127.1040	0.000	1	127.1040	0.000	1	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:2:	3:4:2:1:	3:3:1:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[5a,6a]-3:N[5a]-3:Br-1:	N[5a](C[5a]C[5a,6a]Br)(C[6]C[6]O[6]H)(N[5a]C[5a,6a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]C[6])(Br)	N[5a](C[5a]C[5a,6a]Br)(C[6]C[6]O[6]H)(N[5a]C[5a,6a]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]C[6])(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	126.3410	0.000	1	126.3410	0.000	1	126.3410	0.000	1	126.3410	0.000	1	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:2:	3:4:3:1:	3:3:1:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]O)(H)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){1|O<1>,2|C<4>,4|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]O)(H){2|C<3>,3|C<4>,3|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,2|H<1>}	126.0920	0.000	1	126.0920	0.000	1	126.0920	0.000	1	126.0920	0.000	1	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:2:	3:4:4:1:	3:2:3:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(NC[6]H)	N[5a](C[5a]N[5a]N)(C[6]C[6]2H)(N[5a]N[5a]){2|C<4>,4|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(NC[6]H){1|H<1>,2|C<4>}	129.3100	0.000	1	129.3100	0.000	1	129.3100	0.000	1	129.3100	0.000	1	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:2:	3:4:4:1:	3:2:4:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a]){1|C<3>,2|C<4>,3|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|H<1>,2|C<4>}	130.1280	0.000	1	130.1280	0.000	1	131.1453	0.867	3	131.1453	0.867	3	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:2:	3:4:4:1:	3:2:4:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a]){2|C<4>,4|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){2|C<4>,2|N<2>,4|H<1>}	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|H<1>,2|C<4>}	131.9550	0.000	1	131.9550	0.000	1	131.1453	0.867	3	131.1453	0.867	3	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:2:	3:4:4:1:	3:2:4:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CN[5]CH)	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a]){2|C<4>,4|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){2|C<4>,2|N<2>,4|H<1>}	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CN[5]CH){1|H<1>,2|C<4>}	131.3530	0.000	1	131.3530	0.000	1	131.1453	0.867	3	131.1453	0.867	3	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:2:	3:4:4:1:	3:3:1:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){1|C<3>,2|C<4>,5|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(H){2|C<3>,2|C<4>,2|H<1>}	128.9960	0.000	1	128.9960	0.000	1	128.9610	1.710	4	129.1124	1.129	7	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:2:	3:4:4:1:	3:3:1:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]CO)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]CO)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){1|H<1>,2|C<3>,2|C<4>}	127.9410	0.000	1	127.9410	0.000	1	128.9610	1.710	4	129.1124	1.129	7	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:2:	3:4:4:1:	3:3:1:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[5a](C[5a]N[5a]P[5])(N[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|P<4>,4|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]P[5])(N[5a]N[5a]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	129.4535	1.899	2	129.4535	3.605	2	128.9610	1.710	4	129.1124	1.129	7	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:2:	3:4:4:1:	3:3:1:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[5,6]HH)(C[6]C[6]HW)(H)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){1|W<7>,2|C<4>,5|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[5,6]HH)(C[6]C[6]HW)(H){1|C<4>,3|C<3>,3|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	128.5130	0.000	1	128.5130	0.000	1	129.3143	0.713	3	129.1124	1.129	7	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:2:	3:4:4:1:	3:3:1:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]HW)(H)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){1|W<7>,3|H<1>,4|C<4>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]HW)(H){3|C<3>,4|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	129.2340	0.000	1	129.2340	0.000	1	129.3143	0.713	3	129.1124	1.129	7	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:2:	3:4:4:1:	3:3:1:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a]){3|C<4>,4|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|H<1>,2|C<4>}	130.1960	0.000	1	130.1960	0.000	1	129.3143	0.713	3	129.1124	1.129	7	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:2:	3:4:4:1:	3:3:2:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[6]C[6]2H)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[5a](N[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[6]C[6]2H)(N[5a]C[5a]){2|C<4>,3|C<3>,4|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5a](N[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	131.9620	0.000	1	131.9620	0.000	1	131.9620	0.000	1	131.9620	0.000	1	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:2:	3:4:4:1:	3:3:3:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6a]ClH)(C[6]C[6]HH)(H)	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(C[6]C[6]2H)(N[5a]N[5a]){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6a]ClH)(C[6]C[6]HH)(H){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(COO){1|H<1>,2|C<4>}	130.1660	0.000	1	130.1660	0.000	1	130.1660	0.000	1	129.1700	1.984	2	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:2:	3:4:4:1:	3:3:3:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6]C[6]2H)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6]C[6]2H)(N[5a]C[5a]){2|C<4>,3|C<3>,5|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	128.1740	0.000	1	128.1740	0.000	1	128.1740	0.000	1	129.1700	1.984	2	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:2:	3:4:4:1:	3:4:2:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[5]-4:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[5a](N[5a]N[5a]C[6])(C[5]C[5]N[5]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(C[6]C[6]2H)(N[5a]N[5a]){1|N<3>,3|C<4>,5|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){2|C<4>,2|N<2>,4|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5]C[5]N[5]H)(N[5a]N[5a]){1|C<3>,3|C<4>,4|H<1>}	131.5690	0.000	1	131.5690	0.000	1	131.5690	0.000	1	131.3855	0.067	2	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:2:	3:4:4:1:	3:4:2:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[6]-4:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[5a](N[5a]N[5a]C[6])(C[6]C[6]N[6]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(C[6]C[6]2H)(N[5a]N[5a]){1|N<3>,3|C<4>,5|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){2|C<4>,2|N<2>,4|H<1>}	C[5a](N[5a]N[5a]C[6])(C[6]C[6]N[6]H)(N[5a]N[5a]){1|C<3>,3|C<4>,4|H<1>}	131.2020	0.000	1	131.2020	0.000	1	131.2020	0.000	1	131.3855	0.067	2	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:3:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H)	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	125.6030	0.546	2	125.6030	0.298	2	126.1550	1.063	3	126.1550	1.063	3	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:3:	3:3:3:1:	3:3:1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]N)(H)	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]N)(H){1|C<4>,4|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	127.2590	0.000	1	127.2590	0.000	1	126.1550	1.063	3	126.1550	1.063	3	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:3:	3:3:4:1:	3:2:1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|C<4>,2|N<2>,3|C<3>,4|H<1>}	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	129.3970	0.042	2	129.3970	0.002	2	129.3970	0.002	2	129.3970	0.002	2	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	N[5a]-3:C[5,6]-4:O[6]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H)	C[6](N[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](N[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,2|N<2>,4|C<4>}	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	125.4860	0.000	1	125.4860	0.000	1	125.4860	0.000	1	127.4781	1.521	8	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	N[5a]-3:C[6]-4:O[6]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|N<2>,5|H<1>}	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	127.2610	1.044	3	127.2610	1.090	3	127.7627	1.019	7	127.4781	1.521	8	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	N[5a]-3:C[6]-4:O[6]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]S[6]HH)(O[6]C[6])(H)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]S[6]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	128.1390	0.933	4	128.1390	0.870	4	127.7627	1.019	7	127.4781	1.521	8	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:3:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	N[5a]-3:C[6]-4:O[6]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]C[5a]H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]MoH)(O[6]C[6])(H)	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]C[5a]H){1|Mo<10>,1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]MoH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	128.1900	0.000	1	128.1900	0.000	1	128.1900	0.000	1	128.1900	0.000	1	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	3:4:3:	4:3:2:1:	3:2:1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5,6]-4:N[5a]-3:O[6]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H)	C[6](C[5,6]N[5,5,6]O[5]H)(N[5a]C[5a,6a]C[5a])(O[6]C[6])(H)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[5,6]N[5,5,6]O[5]H)(N[5a]C[5a,6a]C[5a])(O[6]C[6])(H){1|C<3>,2|H<1>,2|N<2>,4|C<4>}	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	128.4210	0.740	2	128.4210	0.547	2	128.4210	0.547	2	128.4210	0.547	2	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	4:3:2:	3:3:3:1:	3:4:2:	C[6]-4:C[5a]-3:N[5a]-2:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	N[5a]-3:C[6]-4:N[5a]-2:	N[5a](C[6]C[6,6a]N[6]H)(C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[6]C[5]C[6])(H)	C[5a](N[5a]N[5a]C[6])(C[6]C[6]2H)(N[5a]N[5a])	N[5a](C[6]C[6,6a]N[6]H)(C[5a]N[5a]C[6])(N[5a]N[5a]){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[6]C[5]C[6])(H){2|C<4>,2|N<2>,4|C<3>,4|H<1>}	C[5a](N[5a]N[5a]C[6])(C[6]C[6]2H)(N[5a]N[5a]){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	127.2370	0.000	1	127.2370	0.000	1	127.2370	0.000	1	127.2370	0.000	1	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	4:3:2:	3:3:4:1:	3:3:3:	C[6]-4:C[5a]-3:N[5a]-2:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]C)(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]ClH)(H)	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(COO)	N[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]C)(N[5a]N[5a]){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]ClH)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(COO){1|C<3>,1|C<4>,1|H<1>}	130.5180	0.000	1	130.5180	0.000	1	130.5180	0.000	1	130.5180	0.000	1	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	4:3:2:	3:4:2:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,4|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|O<2>,2|H<1>}	122.2590	0.000	1	122.2590	0.000	1	127.8493	6.221	12	127.6249	6.357	13	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	4:3:2:	3:4:2:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H)	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<4>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,1|O<2>}	128.3575	1.853	11	128.3575	3.434	11	127.8493	6.221	12	127.6249	6.357	13	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	4:3:2:	3:4:2:1:	3:3:1:	C[6]-4:C[5a]-3:O[5a]-2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](N[5a]C[5a]O[5a])(C[6]C[6]HO)(O[6]C[6])(H)	C[5a](N[5a]O[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](N[5a]C[5a]O[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5a](N[5a]O[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	124.9320	0.000	1	124.9320	0.000	1	124.9320	0.000	1	127.6249	6.357	13	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	4:3:2:	3:4:2:1:	3:3:3:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]C)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(CHO)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(CHO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	126.2940	0.000	1	126.2940	0.000	1	126.5600	0.142	2	126.5600	0.142	2	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	4:3:2:	3:4:2:1:	3:3:3:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]C)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(COO)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(COO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	126.8260	0.000	1	126.8260	0.000	1	126.5600	0.142	2	126.5600	0.142	2	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	4:3:2:	3:4:3:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6,6a]-3:C[5,6]-4:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[6]C[6,6a]C[5,6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a]N[5a])(H)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C[6])(H)	N[5a](C[6]C[6,6a]C[5,6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a]N[5a])(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,5|H<1>}	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C[6])(H){1|Fe<10>,1|C<3>,1|H<1>,3|C<4>}	129.9030	0.334	2	129.9030	0.111	2	129.9030	0.111	2	129.9907	0.079	3	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	4:3:2:	3:4:3:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6,6a]-3:C[5,6]-4:N[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6]C[6,6a]C[5,6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a]N[5a])(H)	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	N[5a](C[6]C[6,6a]C[5,6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a]N[5a])(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,5|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|C<3>,1|C<4>,1|H<1>}	130.1660	0.000	1	130.1660	0.000	1	130.1660	0.000	1	129.9907	0.079	3	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	4:3:2:	4:3:3:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-2:	C[4x6]-4:N[5a]-3:C[6]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[6]C[4x6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[6](C[4x6]C[3x6]2C[6,6])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	N[5a](C[6]C[4x6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|C<3>,3|C<4>}	C[6](C[4x6]C[3x6]2C[6,6])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<2>,4|C<4>,6|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	129.1150	0.000	1	129.1150	0.000	1	129.1150	0.000	1	129.1150	0.000	1	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	4:3:2:	4:3:4:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-2:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	N[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>,3|O<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){1|H<1>,2|C<3>,2|C<4>}	127.5780	0.000	1	128.1560	0.668	2	128.1560	0.668	2	128.2457	0.358	3	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	4:3:2:	4:3:4:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-2:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	N[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){1|H<1>,2|C<3>,2|C<4>}	128.7340	0.000	1	128.1560	0.668	2	128.1560	0.668	2	128.2457	0.358	3	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	4:3:2:	4:3:4:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6,6]-4:N[5a]-3:C[6]-4:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a])	C[6](C[6,6]C[6,6]C[6]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	128.4250	0.000	1	128.4250	0.000	1	128.4250	0.000	1	128.2457	0.358	3	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	4:3:3:	3:2:3:1:	3:2:1:	C[6]-4:C[5a]-3:C[5a]-3:	N[5a]-3:O[6]-2:C[6]-3:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6](N[5a]C[5a]2)(O[6]C[6,6])(C[6]C[6]H)(H)	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[5a]C[5a]2)(O[6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H){1|C<3>,1|O<2>,3|H<1>}	126.2210	0.891	2	126.2210	0.794	2	126.2210	0.794	2	126.2210	0.794	2	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[5a]-3:C[5a]-3:	N[5a]-3:O[6]-2:C[6]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6](N[5a]C[5a]2)(O[6]C[6,6])(C[6]C[6]H)(H)	C[5a](N[5a]C[5a]C[6])(C[5a]N[5a]H)(H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[5a]C[5a]2)(O[6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[5a](N[5a]C[5a]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	126.6100	0.925	2	126.6100	0.855	2	126.6100	0.855	2	126.6100	0.855	2	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6,6a]-3:N[5a]-3:C[6]-3:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H)	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O)	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O){1|O<1>,2|C<3>,2|H<1>}	120.3415	3.101	2	120.3415	9.614	2	120.3415	9.614	2	120.3415	9.614	2	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6,6a]-3:N[5a]-3:C[6]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[6]C[6,6a]C[6a]C[6])(C[5a]N[5a]O)(N[5a]C[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]N[5a,6]N)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(O)	N[5a](C[6]C[6,6a]C[6a]C[6])(C[5a]N[5a]O)(N[5a]C[5a]H){1|N<2>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]N[5a,6]N)(C[6a]C[6a]2){1|O<1>,2|N<3>,4|H<1>,6|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	118.5880	0.000	1	118.5880	0.000	1	118.5880	0.000	1	118.5880	0.000	1	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[6]C[5a,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5a]C[5a]N[5a])(C[6]N[5a,6]HH)(H)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(O)	N[5a](C[6]C[5a,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5a]C[5a]N[5a])(C[6]N[5a,6]HH)(H){1|H<1>,1|O<1>,3|N<3>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	115.7850	0.000	1	115.7850	0.000	1	115.7850	0.000	1	115.7850	0.000	1	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	N[5a]-3:C[6]-4:O[6]-2:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[6]C[6]O[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O)	N[5a](C[6]C[6]O[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|O<1>,2|H<1>,3|C<4>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.1340	0.000	1	120.1340	0.000	1	120.7057	0.277	3	120.7057	0.277	3	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	N[5a]-3:C[6]-4:O[6]-2:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[6]C[6]O[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]H)(O)	N[5a](C[6]C[6]O[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|O<1>,2|C<4>,3|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]H)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.9915	0.251	2	120.9915	0.063	2	120.7057	0.277	3	120.7057	0.277	3	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP2_SP2_SP3	N[5a]	C[6]	C[5a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	C[5,6]-4:C[6]-4:N[5a]-3:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[6]C[5,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]C[6a]H)(N[5a]C[5a]N[5a])(H)	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O)	N[5a](C[6]C[5,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]C[6a]H)(N[5a]C[5a]N[5a])(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O){1|H<1>,1|O<1>,3|C<4>}	118.1040	0.000	1	118.1040	0.000	1	118.1040	0.000	1	118.1040	0.000	1	126.3168	12.135	108	126.6966	8.240	437
813	466	727	0:SP3_SP2_SP3	N[5a,6,6]	C[3x6]	C[5a]	4:3:3:	3:3:4:4:	3:3:1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[5,6,6]-3:C[6,6]-4:C-4:	N[5a,6,6]-3:N[5a]-3:O-1:	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,3|C<3>,4|C<4>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3){1|C<3>,1|O<1>,2|C<4>,2|N<3>,4|H<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|O<1>,3|C<3>,3|C<4>}	123.2740	0.000	1	123.2740	0.000	1	123.1185	0.048	2	123.1185	0.048	2	120.9103	6.579	13	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6,6]	C[3x6]	C[5a]	4:3:3:	3:3:4:4:	3:3:1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[5,6,6]-3:C[6,6]-4:C-4:	N[5a,6,6]-3:N[5a]-3:O-1:	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3){1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|O<1>,3|C<3>,3|C<4>}	122.9630	0.000	1	122.9630	0.000	1	123.1185	0.048	2	123.1185	0.048	2	120.9103	6.579	13	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6,6]	C[3x6]	C[5a]	4:3:3:	3:4:3:1:	3:3:1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	N[5a,6,6]-3:N[5a]-3:O-1:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(H)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	123.0645	0.115	2	123.0645	0.013	2	120.2818	5.252	6	120.9415	7.125	8	120.9103	6.579	13	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6,6]	C[3x6]	C[5a]	4:3:3:	3:4:3:1:	3:3:1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	N[5a,6,6]-3:N[5a]-3:O-1:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C)(O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	119.7580	0.027	2	119.7580	0.001	2	120.2818	5.252	6	120.9415	7.125	8	120.9103	6.579	13	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6,6]	C[3x6]	C[5a]	4:3:3:	3:4:3:1:	3:3:1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	N[5a,6,6]-3:N[5a]-3:O-1:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	117.9700	0.000	1	118.0230	0.006	2	120.2818	5.252	6	120.9415	7.125	8	120.9103	6.579	13	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6,6]	C[3x6]	C[5a]	4:3:3:	3:4:3:1:	3:3:1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	N[5a,6,6]-3:N[5a]-3:O-1:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	118.0760	0.000	1	118.0230	0.006	2	120.2818	5.252	6	120.9415	7.125	8	120.9103	6.579	13	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6,6]	C[3x6]	C[5a]	4:3:3:	3:4:3:1:	3:3:1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[5,6,6]-4:C[6,6]-3:Br-1:	N[5a,6,6]-3:N[5a]-3:O-1:	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]Br)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(Br)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]Br)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(Br){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|Br<1>,1|O<1>,2|C<4>,3|C<3>}	125.4870	0.000	1	125.4870	0.000	1	125.4870	0.000	1	120.9415	7.125	8	120.9103	6.579	13	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6,6]	C[3x6]	C[5a]	4:3:3:	3:4:3:1:	3:3:1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[5,6,6]-4:C[6,6]-3:H-1:	N[5a,6,6]-3:N[5a]-3:O-1:	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	120.3540	0.000	1	120.3540	0.000	1	120.3540	0.000	1	120.9415	7.125	8	120.9103	6.579	13	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6,6]	C[3x6]	C[5a]	4:3:3:	3:4:3:4:	3:3:1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:C-4:	N[5a,6,6]-3:N[5a]-3:O-1:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(CF3)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(CF3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|O<1>,3|C<3>,3|C<4>}	122.1800	0.000	1	122.1800	0.000	1	122.1800	0.000	1	122.1800	0.000	1	120.9103	6.579	13	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6,6]	C[3x6]	C[5a]	4:3:3:	4:3:3:1:	3:3:1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	C[3,5,6,6]-4:N[5a,6,6]-3:C[6,6]-3:H-1:	N[5a,6,6]-3:N[5a]-3:O-1:	N[5a,6,6](C[3x6]C[3,5,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](C[3,5,6,6]C[3,6,6]C[3,5]C[5])(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[3,5,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3,5,6,6]C[3,6,6]C[3,5]C[5])(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	117.8160	0.000	1	117.8160	0.000	1	117.8160	0.000	1	117.9425	0.032	2	120.9103	6.579	13	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6,6]	C[3x6]	C[5a]	4:3:3:	4:3:3:1:	3:3:1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	C[3,6,6]-4:N[5a,6,6]-3:C[6,6]-3:H-1:	N[5a,6,6]-3:N[5a]-3:O-1:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](C[3,6,6]C[3,5,6,6]C[3,5]H)(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3,6,6]C[3,5,6,6]C[3,5]H)(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	118.0690	0.000	1	118.0690	0.000	1	118.0690	0.000	1	117.9425	0.032	2	120.9103	6.579	13	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6,6]	C[4x6]	C[5a]	4:3:3:	3:4:3:3:	3:3:1:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6]C[6]O)	C[5a](N[5a,6,6]N[5a,6,6]C[4x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|H<1>,2|O<1>,3|C<4>,4|C<3>}	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[4x6])(N[5a]C[5a]C[6a])(O){1|O<1>,2|C<4>,4|C<3>}	122.9650	0.000	1	122.9650	0.000	1	122.9650	0.000	1	122.9650	0.000	1	125.2260	10.224	2	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6,6]	C[4x6]	C[5a]	4:3:3:	3:4:3:4:	3:3:1:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-4:	N[5a,6,6]-3:N[5a]-3:O-1:	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	C[5a](N[5a,6,6]N[5a,6,6]C[4x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[4x6])(N[5a]C[5a]C[6a])(O){1|O<1>,3|C<3>,3|C<4>}	127.4870	0.000	1	127.4870	0.000	1	127.4870	0.000	1	127.4870	0.000	1	125.2260	10.224	2	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6]	C[6,6]	C[5a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a,6,6]-3:C[6]-4:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](C[6,6]C[5a,6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H)	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O)	N[5a,6](C[6,6]C[5a,6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](N[5a,6]N[5a,6]C[5a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	118.8350	0.000	1	118.8350	0.000	1	118.8350	0.000	1	121.2520	11.684	2	122.2670	7.402	4	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6]	C[6,6]	C[5a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6]-3:C[6]-4:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C)(O)	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	123.6690	0.000	1	123.6690	0.000	1	123.6690	0.000	1	121.2520	11.684	2	122.2670	7.402	4	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6]	C[6,6]	C[5a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-4:C[6,6]-3:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(C[6,6]C[6]2)(H)	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O)	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(C[6,6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	121.4930	0.000	1	121.4930	0.000	1	121.4930	0.000	1	121.4930	0.000	1	122.2670	7.402	4	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6]	C[6,6]	C[5a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[3,6]HO)(H)	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O)	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[3,6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	125.0710	0.000	1	125.0710	0.000	1	125.0710	0.000	1	125.0710	0.000	1	122.2670	7.402	4	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	N[5a,6]-3:C[6,6]-4:C-4:C-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC)	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6]C[3x6]C[6]H)(CH3)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC){2|C<4>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6]C[3x6]C[6]H)(CH3)2{2|C<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	127.4300	0.000	1	127.4300	0.000	1	127.4300	0.000	1	127.4300	0.000	1	127.4300	0.000	1	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H)2	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	119.5070	0.000	1	119.5070	0.000	1	122.2080	5.723	3	122.2080	5.723	3	123.1679	7.460	14	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(O)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	123.0570	0.000	1	123.0570	0.000	1	122.2080	5.723	3	122.2080	5.723	3	123.1679	7.460	14	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	124.0600	0.000	1	124.0600	0.000	1	122.2080	5.723	3	122.2080	5.723	3	123.1679	7.460	14	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:N-3:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HN)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]Cl)(NCS)(H)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HN){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]Cl)(NCS)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	123.0510	0.000	1	123.0510	0.000	1	123.0510	0.000	1	123.0510	0.000	1	123.1679	7.460	14	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:C-4:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	124.9685	7.884	2	125.2353	31.289	3	125.2353	31.289	3	125.2353	31.289	3	123.1679	7.460	14	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:C-4:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	125.7690	0.000	1	125.2353	31.289	3	125.2353	31.289	3	125.2353	31.289	3	123.1679	7.460	14	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:2:1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:S[5a]-2:O-1:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a](N[5a,6]N[5a,6]C[6])(S[5a]C[5a])(O)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,4|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[5a](N[5a,6]N[5a,6]C[6])(S[5a]C[5a])(O){1|O<1>,2|C<4>,2|H<1>}	121.7173	0.528	3	121.7173	0.279	3	121.7173	0.279	3	121.7173	0.279	3	123.1679	7.460	14	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(H)2	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	123.5660	0.000	1	123.5660	0.000	1	123.5660	0.000	1	123.5660	0.000	1	123.1679	7.460	14	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]CO)(CH3)(H)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]CO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	123.7190	0.000	1	123.7190	0.000	1	123.7190	0.000	1	123.7190	0.000	1	123.1679	7.460	14	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:4:3:	3:3:3:1:	3:3:1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:N[5a,6]-3:C[6a]-3:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[5a,6]C[6a]H)(C[5a]N[5a]O)	C[6](C[5a,6]C[5a,6,6]C[5a])(N[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(H)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[5a,6]C[6a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6,6]C[5a])(N[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	123.2640	0.000	1	123.2640	0.000	1	123.2640	0.000	1	123.2665	0.000	2	123.1679	7.460	14	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a,6]	C[6]	C[5a]	3:4:3:	3:3:3:1:	3:3:1:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[5,6]-3:C[6a]-3:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](N[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]N[5a]O)	C[6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]N[5a]O){1|C<4>,1|O<1>,6|C<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	123.2690	0.000	1	123.2690	0.000	1	123.2690	0.000	1	123.2665	0.000	2	123.1679	7.460	14	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a]	C[6]	C[5a,5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(C[6]C[6]2H)	C[6](N[5a]C[5a,5a]C[5a])(C[6]C[6]HH)2(H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6])(C[5a]C[5a]N)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(C[6]C[6]2H){1|C<3>,2|C<4>,3|N<3>,4|H<1>}	C[6](N[5a]C[5a,5a]C[5a])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6])(C[5a]C[5a]N){1|H<1>,1|N<3>,2|N<2>,3|C<4>}	117.5360	0.000	1	117.5360	0.000	1	117.5360	0.000	1	117.5360	0.000	1	117.5360	0.000	1	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-4:	N[5a]-3:C[6]-3:C[6]-3:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(C[6]C[6]2H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2(H)	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O){1|O<1>,2|C<3>,2|H<1>}	118.2125	0.824	2	118.2125	0.679	2	118.2125	0.679	2	118.2125	0.679	2	121.4909	9.845	15	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-3:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(C[6]C[6]2H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(C[6]C[6]2H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	120.5410	0.000	1	120.5410	0.000	1	122.0375	4.479	2	122.0375	4.479	2	121.4909	9.845	15	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-3:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(C[6]C[6]2H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]Si)(H)	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(C[6]C[6]2H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]Si)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	123.5340	0.000	1	123.5340	0.000	1	122.0375	4.479	2	122.0375	4.479	2	121.4909	9.845	15	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,5a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[5a]-3:N-2:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(C[6]C[6]2H)	C[6](N[5a]C[5a,5a]C[5a])(C[6]C[6]HH)2(H)	C[5a](N[5a]C[5a,5a]C[6])(C[5a]C[5a,5a]N)(NC[6])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(C[6]C[6]2H){1|C<3>,2|C<4>,3|N<3>,4|H<1>}	C[6](N[5a]C[5a,5a]C[5a])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[5a](N[5a]C[5a,5a]C[6])(C[5a]C[5a,5a]N)(NC[6]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	116.4760	0.000	1	116.4760	0.000	1	116.4760	0.000	1	116.4760	0.000	1	121.4909	9.845	15	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|C<4>,3|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	120.9180	0.000	1	120.9180	0.000	1	120.9180	0.000	1	120.9180	0.000	1	121.4909	9.845	15	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a]	C[6]	C[5a]	3:3:4:	3:4:4:1:	3:3:4:	C[5a]-3:C[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|C<4>,3|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	127.3680	0.000	1	127.3680	0.000	1	127.3680	0.000	1	127.3680	0.000	1	121.4909	9.845	15	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a]	C[6]	C[5a]	4:3:2:	3:4:2:1:	3:3:1:	C[6]-4:C[5a]-3:O[5a]-2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](N[5a]C[5a]O[5a])(C[6]C[6]HO)(O[6]C[6])(H)	C[5a](N[5a]O[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](N[5a]C[5a]O[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5a](N[5a]O[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	124.1040	0.000	1	124.1040	0.000	1	124.1040	0.000	1	124.1040	0.000	1	121.4909	9.845	15	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a]	C[6]	C[5a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6,6a]-3:N[5a]-3:C[6]-3:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H)	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O)	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O){1|O<1>,2|C<3>,2|H<1>}	121.5572	2.794	6	121.5572	7.805	6	121.5572	7.805	6	121.5572	7.805	6	121.4909	9.845	15	122.0607	9.284	50
813	466	727	0:SP3_SP2_SP3	N[5a]	C[6]	C[5a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H)	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O)	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	123.6550	0.000	1	123.6550	0.000	1	123.6550	0.000	1	123.6550	0.000	1	121.4909	9.845	15	122.0607	9.284	50
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5a,6]	3:3:4:	3:4:3:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	N[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6,6]C[3x6]N[6]H)	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]C[6]C)(C[5a]C[5a,6a]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6,6]C[3x6]N[6]H){2|H<1>,3|C<3>,6|C<4>}	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]C[6]C)(C[5a]C[5a,6a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	123.6560	0.000	1	123.6560	0.000	1	123.8795	0.100	2	123.8795	0.100	2	125.0122	1.872	22	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5a,6]	3:3:4:	3:4:3:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	N[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6,6]C[3x6]N[6]H)	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]C[6]H)(C[5a]C[5a,6a]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6,6]C[3x6]N[6]H){2|C<3>,3|H<1>,6|C<4>}	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]C[6]H)(C[5a]C[5a,6a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	124.1030	0.000	1	124.1030	0.000	1	123.8795	0.100	2	123.8795	0.100	2	125.0122	1.872	22	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5a,6]	3:4:3:	3:3:3:3:	3:3:2:	C[5a,6]-3:C[6,6]-4:C[5a]-3:	C[6,6a]-3:C[6,6a]-3:N[5a,6]-3:C[6]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]2C[6])(C[5a]C[5a]C[6a])	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[6,6]C[5a])(N[5a]C[5a])	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]2C[6])(C[5a]C[5a]C[6a]){1|H<1>,9|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|N<2>,3|H<1>,8|C<3>}	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[6,6]C[5a])(N[5a]C[5a]){1|H<1>,7|C<3>}	126.4350	0.000	1	126.4350	0.000	1	126.4350	0.000	1	126.2597	0.234	3	125.0122	1.872	22	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5a,6]	3:4:3:	3:3:3:3:	3:3:2:	C[5a,6]-3:C[6,6]-4:C[5a]-3:	C[6,6a]-3:N[5a,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]C[6]2)(C[5a]C[5a]C[6a])	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)2	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[6,6]C[5a])(N[5a]C[5a])	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,8|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)2{1|N<2>,3|H<1>,6|C<3>}	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[6,6]C[5a])(N[5a]C[5a]){1|H<1>,7|C<3>}	126.1720	0.649	2	126.1720	0.421	2	126.1720	0.421	2	126.2597	0.234	3	125.0122	1.872	22	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5a,6]	3:4:3:	3:4:3:1:	3:3:4:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	N[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]C[5a]C[6])	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]S)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]C)(C[6]C[6,6]CH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]C[5a]C[6]){1|S<4>,3|C<3>,3|H<1>,4|C<4>}	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]S)(H){2|C<4>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]C)(C[6]C[6,6]CH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	124.0240	0.530	2	124.0240	0.281	2	124.1642	0.133	5	124.1642	0.133	5	125.0122	1.872	22	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5a,6]	3:4:3:	3:4:3:1:	3:3:4:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	N[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]C[5a]C[6])	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]C)(C[6]C[6,6]CH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]C[5a]C[6]){2|C<3>,4|H<1>,5|C<4>}	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]C)(C[6]C[6,6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	124.2577	0.305	3	124.2577	0.093	3	124.1642	0.133	5	124.1642	0.133	5	125.0122	1.872	22	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5a,6]	3:4:3:	3:4:4:1:	3:3:4:	C[5,5a]-3:C[6,6]-4:C[5a,6]-3:	N[5a,6]-3:C[3x6]-4:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5,5a]N[5,5a]S[5])(C[6,6]C[3x6]C[6]H)(C[5a,6]C[5a]C[6])	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)	C[5a,6](N[5a,6]C[5,5a]C[6,6])(C[5a]N[5,5a]N)(C[6]O[6]HH)	N[5a,6](C[5,5a]N[5,5a]S[5])(C[6,6]C[3x6]C[6]H)(C[5a,6]C[5a]C[6]){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6](N[5a,6]C[5,5a]C[6,6])(C[5a]N[5,5a]N)(C[6]O[6]HH){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	126.0180	0.000	1	126.0180	0.000	1	126.0180	0.000	1	125.7275	0.169	2	125.0122	1.872	22	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5a,6]	3:4:3:	3:4:4:1:	3:3:4:	C[5,5a]-3:C[6,6]-4:C[5a,6]-3:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5,5a]N[5,5a]S[5])(C[6,6]C[6,6]C[6]H)(C[5a,6]C[5a]C[6])	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[5a,6](N[5a,6]C[5,5a]C[6,6])(C[5a]N[5,5a]N)(C[6]C[6]HH)	N[5a,6](C[5,5a]N[5,5a]S[5])(C[6,6]C[6,6]C[6]H)(C[5a,6]C[5a]C[6]){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5,5a]C[6,6])(C[5a]N[5,5a]N)(C[6]C[6]HH){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	125.4370	0.000	1	125.4370	0.000	1	125.4370	0.000	1	125.7275	0.169	2	125.0122	1.872	22	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5a,6]	4:3:2:	3:3:3:4:	3:3:3:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	C[6,6a]-3:N[5a,6]-3:N[6]-3:C[6]-4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[6,6]C[6,6a]C[6]N[6])(C[5a,6]C[6,6a]C[5a])(N[5a]C[5a])	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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H)	N[5a,6](C[6,6]C[6,6a]C[6]N[6])(C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]){1|C<4>,4|C<3>,5|H<1>}	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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.4680	0.000	1	123.4680	0.000	1	123.4680	0.000	1	123.4680	0.000	1	125.0122	1.872	22	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5a,6]	4:3:2:	3:3:4:1:	3:3:4:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[6,6]N[6,6]C[6]H)(C[5a,6]C[5a]C[6])(N[5a]C[5a])	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]C[6]N[6])(C[6]C[6]HH)(H)	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H)(C[6]N[6]HH)	N[5a,6](C[6,6]N[6,6]C[6]H)(C[5a,6]C[5a]C[6])(N[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]C[6]N[6])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.2910	0.000	1	123.2910	0.000	1	123.2910	0.000	1	123.2910	0.000	1	125.0122	1.872	22	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5a,6]	4:3:2:	3:4:2:1:	3:3:4:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6]-4:O[6]-2:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[6,6]C[6,6]O[6]H)(C[5a,6]C[5a]C[6])(N[5a]N[5a])	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]N[5a]H)(C[6]O[6]HH)	N[5a,6](C[6,6]C[6,6]O[6]H)(C[5a,6]C[5a]C[6])(N[5a]N[5a]){1|O<2>,2|C<4>,4|H<1>}	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]N[5a]H)(C[6]O[6]HH){1|C<4>,1|H<1>,1|O<2>}	123.6110	0.000	1	123.6110	0.000	1	123.6110	0.000	1	123.6110	0.000	1	125.0122	1.872	22	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5a,6]	4:3:2:	3:4:2:4:	3:3:2:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6]-4:O[6]-2:C-4:	N[5a,6]-3:N[6]-3:N[5a]-2:	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(CH3)	C[5a,6](N[5a,6]C[6,6]N[5a])(N[6]C[6,6]H)(N[5a]C[5a])	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6](N[5a,6]C[6,6]N[5a])(N[6]C[6,6]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	125.8370	0.000	1	126.4878	0.155	5	126.4878	0.155	5	126.4878	0.155	5	125.0122	1.872	22	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5a,6]	4:3:2:	3:4:2:4:	3:3:2:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6]-4:O[6]-2:C-4:	N[5a,6]-3:N[6]-3:N[5a]-2:	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(CH3)	C[5a,6](N[5a,6]C[6,6]N[5a])(N[6]C[6,6]H)(N[5a]C[5a])	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6](N[5a,6]C[6,6]N[5a])(N[6]C[6,6]H)(N[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	126.6505	0.173	4	126.4878	0.155	5	126.4878	0.155	5	126.4878	0.155	5	125.0122	1.872	22	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5a,6]	4:3:2:	3:4:4:1:	3:3:4:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]C[5a]C[6])(N[5a]N[5a])	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]HH)	N[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]C[5a]C[6])(N[5a]N[5a]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]HH){1|H<1>,2|C<3>,2|C<4>}	126.1140	0.000	1	126.1140	0.000	1	126.1140	0.000	1	126.1140	0.000	1	125.0122	1.872	22	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6,6]	C[5a,6]	4:3:3:	3:3:4:1:	3:3:3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[6,6]C[5a,6]C[6,6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]HH)(H)	C[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)(C[6]C[6,6]C)	N[5a,6](C[6,6]C[5a,6]C[6,6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)(C[6]C[6,6]C){2|C<3>,2|C<4>,3|H<1>}	122.5310	0.000	1	122.5310	0.000	1	122.5310	0.000	1	122.5310	0.000	1	125.0122	1.872	22	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:N[6,6]-3:	N[5a,6](C[5a,6,6]C[5a,6]N[6,6])(C[5a]N[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6,6]C[5a])(C[6]C[6]H)(H)2	C[5a,6,6](C[5a,6]N[5a]C[6])(N[5a,6]C[5a]C[6])(N[6,6]C[6]2)	N[5a,6](C[5a,6,6]C[5a,6]N[6,6])(C[5a]N[5a]H)(C[6]C[6]HH){1|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6,6]C[5a])(C[6]C[6]H)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6,6](C[5a,6]N[5a]C[6])(N[5a,6]C[5a]C[6])(N[6,6]C[6]2){1|C<3>,1|N<2>,1|N<3>,5|H<1>}	122.2300	0.000	1	122.2300	0.000	1	122.2300	0.000	1	122.2300	0.000	1	123.4419	1.101	14	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6,6]	3:3:4:	3:4:2:1:	4:3:3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OC)(H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OC)(H){3|C<3>,3|C<4>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	125.0690	0.294	2	125.0690	0.087	2	124.0868	0.760	6	124.0868	0.760	6	123.4419	1.101	14	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6,6]	3:3:4:	3:4:2:1:	4:3:3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H){2|C<4>,4|C<3>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	124.2400	0.000	1	123.5957	0.273	4	124.0868	0.760	6	124.0868	0.760	6	123.4419	1.101	14	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6,6]	3:3:4:	3:4:2:1:	4:3:3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H){3|C<3>,3|C<4>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	123.3810	0.364	3	123.5957	0.273	4	124.0868	0.760	6	124.0868	0.760	6	123.4419	1.101	14	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6,6]	3:3:4:	3:4:3:1:	4:3:3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){3|C<3>,3|H<1>,5|C<4>}	122.8955	0.110	2	122.8955	0.012	2	122.8955	0.012	2	122.6387	0.204	3	123.4419	1.101	14	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6,6]	3:3:4:	3:4:3:1:	4:3:3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:N-3:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HN)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(NCC)(H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HN){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(NCC)(H){3|C<3>,3|C<4>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|N<3>,2|C<3>,3|H<1>,5|C<4>}	122.1250	0.000	1	122.1250	0.000	1	122.1250	0.000	1	122.6387	0.204	3	123.4419	1.101	14	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6,6]	3:3:4:	3:4:3:2:	4:3:3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-3:O-2:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]CO)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(COO)(OH)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]CO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(COO)(OH){3|C<3>,3|C<4>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<2>,2|H<1>,3|C<3>,5|C<4>}	125.0010	0.000	1	125.0010	0.000	1	125.0010	0.000	1	125.0010	0.000	1	123.4419	1.101	14	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6,6]	3:4:2:	3:4:1:1:	3:3:3:	C[5a,6,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[5a,6]-3:N[5a,6]-3:	N[5a,6](C[5a,6,6]C[5a,6]N[6,6])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6,6](N[6,6]C[6,6a]C[6])(C[5a,6]C[5a]C[6])(N[5a,6]N[5a]C[6])	N[5a,6](C[5a,6,6]C[5a,6]N[6,6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6,6]N[5a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5a,6,6](N[6,6]C[6,6a]C[6])(C[5a,6]C[5a]C[6])(N[5a,6]N[5a]C[6]){1|C<4>,1|O<1>,1|P<4>,2|C<3>,4|H<1>}	123.1770	0.052	2	123.1770	0.003	2	123.1770	0.003	2	123.1770	0.003	2	123.4419	1.101	14	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6,6]	3:4:3:	3:3:4:1:	3:3:4:	C[5a,6,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H)	C[6](N[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[5a,6,6](C[5a,6]C[5a]C[6])(N[5a,6]C[5a]C[6])(C[6,6]C[6]N[6]H)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5a,6,6](C[5a,6]C[5a]C[6])(N[5a,6]C[5a]C[6])(C[6,6]C[6]N[6]H){2|C<3>,3|C<4>,6|H<1>}	122.1640	0.000	1	122.1640	0.000	1	122.1640	0.000	1	122.1640	0.000	1	123.4419	1.101	14	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:O-2:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HO)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]H)(OH)(H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HO){1|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]H)(OH)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){1|O<2>,2|C<3>,5|H<1>}	122.8600	0.000	1	122.8600	0.000	1	122.8600	0.000	1	122.8600	0.000	1	121.5711	2.145	17	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]C[6]HH)(H)2	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,4|C<3>,5|H<1>}	122.4490	0.000	1	123.0035	0.615	2	122.4477	1.234	3	121.5053	1.093	8	121.5711	2.145	17	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]C[6]HH)(H)2	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|C<4>,4|C<3>,4|H<1>}	123.5580	0.000	1	123.0035	0.615	2	122.4477	1.234	3	121.5053	1.093	8	121.5711	2.145	17	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]C[6]HH)(H)2	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6]){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	121.3360	0.000	1	121.3360	0.000	1	122.4477	1.234	3	121.5053	1.093	8	121.5711	2.145	17	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){2|C<3>,2|C<4>,6|H<1>}	121.0625	0.042	2	120.9200	0.062	3	120.9398	0.229	5	121.5053	1.093	8	121.5711	2.145	17	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){1|C<3>,3|C<4>,6|H<1>}	120.6350	0.000	1	120.9200	0.062	3	120.9398	0.229	5	121.5053	1.093	8	121.5711	2.145	17	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|C<4>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){2|C<3>,2|C<4>,6|H<1>}	120.3410	0.000	1	120.3410	0.000	1	120.9398	0.229	5	121.5053	1.093	8	121.5711	2.145	17	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]O)(C[6]C[6]HH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){1|C<2>,1|C<3>,1|C<4>,1|O<2>,6|H<1>}	121.5980	0.000	1	121.5980	0.000	1	120.9398	0.229	5	121.5053	1.093	8	121.5711	2.145	17	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	N[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6,6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC)	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6]C[3x6]C[6]H)(CH3)2	C[5a,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC){2|C<4>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6]C[3x6]C[6]H)(CH3)2{2|C<4>,3|H<1>,4|C<3>}	C[5a,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6]){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	120.2605	0.827	2	120.2605	0.683	2	120.2605	0.683	2	120.2605	0.683	2	121.5711	2.145	17	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6,6a]	3:4:2:	3:3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]N[5a]C[6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|I<1>,6|C<3>}	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){3|H<1>,5|C<3>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]N[5a]C[6]){1|I<1>,3|C<3>,4|H<1>}	123.7600	0.000	1	123.7600	0.000	1	123.7600	0.000	1	123.7600	0.000	1	121.5711	2.145	17	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6,6a]	3:4:2:	3:4:1:1:	3:3:3:	C[5a,6,6a]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6]O[6]HH)(H)2	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]O[6])(N[5a,6]N[5a]C[6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(N[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6]O[6]HH)(H)2{3|C<3>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]O[6])(N[5a,6]N[5a]C[6]){1|C<4>,2|C<3>,4|H<1>}	119.8680	0.000	1	119.8680	0.000	1	119.8680	0.000	1	119.8680	0.000	1	121.5711	2.145	17	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6,6a]	3:4:3:	3:3:2:4:	3:3:3:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:O[6]-2:C-4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[5a]O[6]C)(C[5a]C[5a]H)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[5a]C[5a,6a]C[5a])(O[6]C[6])(CF3)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[5a]O[6]C)(C[5a]C[5a]H){1|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[5a]C[5a,6a]C[5a])(O[6]C[6])(CF3){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	120.1795	0.766	2	120.1795	0.586	2	120.1795	0.586	2	120.1795	0.586	2	121.5711	2.145	17	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[5a]C[5a]H)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[5a,6,6a](C[6,6a]C[6,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a]C[6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[5a]C[5a]H){1|Cl<1>,6|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[5a,6,6a](C[6,6a]C[6,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a]C[6]){1|Cl<1>,4|C<3>,4|H<1>}	123.6495	0.254	2	123.6495	0.064	2	123.6495	0.064	2	123.6495	0.064	2	121.5711	2.145	17	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:2:4:	3:3:4:4:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-4:	N[5a,6]-3:N[6]-3:C-4:C-4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]CC)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]CC){1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2{4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6]){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	124.5770	0.467	2	124.5770	0.218	2	124.5770	0.218	2	124.5770	0.218	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:2:4:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6,6a])(C[6]C[6]2H)(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O[6]H){2|C<4>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6,6a])(C[6]C[6]2H)(H){2|C<4>,4|H<1>,5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.7810	0.000	1	120.7810	0.000	1	120.7810	0.000	1	120.7810	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:1:1:	3:2:2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6,6a]-3:N[5a,6]-3:H-1:H-1:	N[5a,6]-3:S[6]-2:N[5a]-2:	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2	C[5a,6](N[5a,6]C[5a]C[6])(S[6]C[6,6a])(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6,6a]HH){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2{1|H<1>,1|S<2>,2|N<2>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(S[6]C[6,6a])(N[5a]N[5a]){2|H<1>,3|C<3>}	123.5730	0.000	1	123.5730	0.000	1	123.5730	0.000	1	123.5730	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6,6a]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:O[6]-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]O[6])(C[6]C[6,6a]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(O[6]C[6,6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]O[6])(C[6]C[6,6a]HH){2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|O<2>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	125.5240	0.000	1	125.5240	0.000	1	125.5240	0.000	1	125.5240	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6,6a]-3:N[5a,6]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(N[6]C[6,6a]H)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]HH){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2{1|H<1>,1|N<3>,5|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(N[6]C[6,6a]H){1|N<3>,2|H<1>,5|C<3>}	123.4393	0.448	3	123.4393	0.201	3	123.4393	0.201	3	123.5982	0.184	5	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6,6a]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6,6a]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH){2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6,6a]C){2|H<1>,4|C<3>}	123.8365	0.383	2	123.8365	0.146	2	123.8365	0.146	2	123.5982	0.184	5	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Cl)(C[6]C[6]CH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Cl)(C[6]C[6]CH){3|C<3>,3|H<1>}	126.1120	0.000	1	126.1120	0.000	1	125.6595	0.410	2	125.6595	0.410	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HN)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2{1|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HN){2|H<1>,4|C<3>}	125.2070	0.000	1	125.2070	0.000	1	125.6595	0.410	2	125.6595	0.410	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:1:1:	3:4:2:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]O)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[6]N[6]CH)(N[5a]C[5a])	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]N[6]CH)(N[5a]C[5a]){2|C<3>,4|H<1>}	124.5475	0.972	2	124.5475	0.945	2	124.5475	0.945	2	124.5475	0.945	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]Br)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]2C[6])(C[5a]C[5a,6a]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|Br<1>,1|C<4>,1|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]Br)(H)2{1|C<4>,1|I<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]2C[6])(C[5a]C[5a,6a]C){1|I<1>,2|H<1>,7|C<3>}	125.2300	0.000	1	125.2300	0.000	1	125.6657	1.244	3	125.6657	1.244	3	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]C){3|H<1>,5|C<3>}	126.9330	0.000	1	126.9330	0.000	1	125.6657	1.244	3	125.6657	1.244	3	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]I)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]2C[6])(C[5a]C[5a,6a]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|H<1>,1|I<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]I)(H)2{1|C<4>,1|I<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]2C[6])(C[5a]C[5a,6a]C){1|I<1>,2|H<1>,7|C<3>}	124.8340	0.000	1	124.8340	0.000	1	125.6657	1.244	3	125.6657	1.244	3	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:1:1:	4:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5,6]C)(H)2	C[5a,6](C[5,6]N[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5,6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[5,6]N[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|S<4>,3|C<3>,4|H<1>}	124.2190	0.000	1	124.2190	0.000	1	124.2190	0.000	1	124.2190	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6a]-3:N[6]-2:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]N[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6])(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]N[6]H){3|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6])(H){1|Br<1>,1|H<1>,7|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	122.4605	0.248	2	122.4605	0.062	2	122.4605	0.062	2	122.8173	3.080	4	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H){2|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,7|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H){1|O<2>,2|H<1>,5|C<3>}	125.2560	0.000	1	125.2560	0.000	1	123.1740	8.669	2	122.8173	3.080	4	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5a,6](C[6,6a]C[6a,6a]C[6,6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H){1|H<1>,7|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){2|H<1>,7|C<3>}	C[5a,6](C[6,6a]C[6a,6a]C[6,6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	121.0920	0.000	1	121.0920	0.000	1	123.1740	8.669	2	122.8173	3.080	4	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:2:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:O-2:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HO)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(OC)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HO)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HO){1|O<2>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HO){1|O<2>,2|H<1>,3|C<3>}	124.1570	0.000	1	124.1570	0.000	1	124.1570	0.000	1	124.1570	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6](C[5a,6]N[5a,6]N[6])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)	C[6](N[5a,6]C[5a,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]N[5a,6])(N[6]C[6]H)	N[5a,6](C[5a,6]N[5a,6]N[6])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]N[5a,6])(N[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	125.9600	0.000	1	125.9600	0.000	1	125.9600	0.000	1	125.7263	0.231	3	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H){2|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,2|N<3>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	126.0460	0.000	1	125.6095	0.381	2	125.6095	0.381	2	125.7263	0.231	3	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H){2|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	125.1730	0.000	1	125.6095	0.381	2	125.6095	0.381	2	125.7263	0.231	3	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:3:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a])	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,7|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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,5|C<3>}	123.0150	0.000	1	123.0150	0.000	1	123.0150	0.000	1	123.9294	4.436	16	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5a]N[6]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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5a]N[6]H){1|S<2>,2|H<1>,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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|N<3>,2|H<1>,5|C<3>}	125.3535	2.016	2	125.3535	4.064	2	125.3535	4.064	2	123.9294	4.436	16	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]H){8|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){2|H<1>,6|C<3>}	122.0285	0.756	2	122.0285	0.571	2	122.0285	0.571	2	123.9294	4.436	16	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){1|N<2>,2|H<1>,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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|N<3>,2|H<1>,5|C<3>}	125.9370	0.000	1	125.9370	0.000	1	125.9370	0.000	1	123.9294	4.436	16	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){2|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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|N<3>,2|H<1>,5|C<3>}	124.6890	0.000	1	123.9154	5.084	10	123.9154	5.084	10	123.9294	4.436	16	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){2|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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|N<3>,2|H<1>,5|C<3>}	126.1230	0.000	1	123.9154	5.084	10	123.9154	5.084	10	123.9294	4.436	16	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){2|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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|N<3>,2|H<1>,5|C<3>}	125.6410	0.000	1	123.9154	5.084	10	123.9154	5.084	10	123.9294	4.436	16	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){2|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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|N<3>,2|H<1>,5|C<3>}	123.8110	1.923	3	123.9154	5.084	10	123.9154	5.084	10	123.9294	4.436	16	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){2|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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|N<3>,2|H<1>,5|C<3>}	122.8170	2.890	4	123.9154	5.084	10	123.9154	5.084	10	123.9294	4.436	16	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:3:2:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]2O[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)2(O[6]C[6])	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]2O[6]){1|C<4>,4|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,6|H<1>,7|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HH){1|O<2>,2|H<1>,4|C<3>}	122.5660	0.057	2	122.5660	0.003	2	122.5660	0.003	2	122.5660	0.003	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:C-3:	N[5,6]-3:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5,6]N[5a])(C[6]C[6,6a]C[6a]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(CCH)	C[5a,6](N[5,6]C[5,6,6a]C[5])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5,6]N[5a])(C[6]C[6,6a]C[6a]C){1|C<4>,1|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(CCH){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[5a,6](N[5,6]C[5,6,6a]C[5])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,2|H<1>,6|C<3>}	128.0760	0.000	1	128.0760	0.000	1	128.0760	0.000	1	128.0760	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:3:4:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]C)	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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]C){1|N<2>,2|H<1>,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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	121.1490	0.000	1	121.1490	0.000	1	121.1490	0.000	1	121.1490	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:N[6]-3:C[6a]-3:C-4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CF3)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C){1|C<4>,2|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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	123.5495	0.541	2	123.5495	0.293	2	123.5495	0.293	2	123.5495	0.293	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:4:1:	3:2:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[5a]-2:S[6]-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|F<1>,1|N<2>,1|S<2>,3|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	129.1455	0.487	2	129.1455	0.237	2	129.1455	0.237	2	129.1455	0.237	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:4:1:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H){4|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	122.6710	0.000	1	122.6710	0.000	1	122.6710	0.000	1	122.6710	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:4:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5]N[6]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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5]N[6]H){1|Fe<10>,2|C<4>,2|H<1>,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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	125.0070	0.000	1	125.0070	0.000	1	125.0070	0.000	1	125.0070	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:3:4:4:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC)	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a])	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC){1|H<1>,5|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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	121.2633	1.029	3	121.2633	1.058	3	121.2633	1.058	3	121.2633	1.058	3	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:2:2:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:S[5a]-2:N[6]-2:	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(S[5a]C[5a])(N[6]C[6])	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(S[5a]C[5a])(N[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	119.0085	0.067	2	119.0085	0.005	2	119.0085	0.005	2	121.4417	17.763	3	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:2:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:S[6]-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(H)2{1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	126.3080	0.000	1	126.3080	0.000	1	126.3080	0.000	1	121.4417	17.763	3	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:C[6]-4:	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]HH)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	124.5280	0.000	1	124.5280	0.000	1	124.5280	0.000	1	125.3147	1.185	6	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:F-1:F-1:	N[5a,6]-3:N[5a]-2:C[6]-4:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]FF)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]FF)(F)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]CH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]FF){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]FF)(F)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]CH){1|C<4>,2|C<3>,2|F<1>,2|H<1>}	125.0470	0.000	1	125.0470	0.000	1	125.0470	0.000	1	125.3147	1.185	6	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:C[6]-4:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]CC)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	126.5350	0.000	1	126.5350	0.000	1	125.5782	1.653	4	125.3147	1.185	6	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:C[6]-4:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	124.8480	0.000	1	125.8165	1.876	2	125.5782	1.653	4	125.3147	1.185	6	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:C[6]-4:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	126.7850	0.000	1	125.8165	1.876	2	125.5782	1.653	4	125.3147	1.185	6	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:C[6]-4:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]O[6]HH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	124.1450	0.000	1	124.1450	0.000	1	125.5782	1.653	4	125.3147	1.185	6	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:F-1:F-1:	N[5a,6]-3:C[6]-3:N[5a]-2:	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FF)(F)2	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6a]C[6])(N[5a]C[5a])	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF){1|H<1>,2|C<3>,2|F<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FF)(F)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6a]C[6])(N[5a]C[5a]){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	121.3455	0.650	2	121.3455	0.422	2	121.3455	0.422	2	123.2811	2.136	14	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]Cl)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a]C[6])(N[5a]C[5a])	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]Cl)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|N<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2{1|Cl<1>,1|N<2>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a]C[6])(N[5a]C[5a]){2|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	122.6990	0.000	1	122.6990	0.000	1	122.6990	0.000	1	123.2811	2.136	14	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:N[6]-3:S[5a]-2:	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(N[6]C[6]Co)(S[5a]C[5a])	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(C[6]C[6]HH){1|Co<5>,1|C<3>,1|C<4>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(N[6]C[6]Co)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	120.2160	0.000	1	120.2160	0.000	1	120.2160	0.000	1	123.2811	2.136	14	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	124.0117	0.941	6	124.0117	0.885	6	124.0117	0.885	6	123.2811	2.136	14	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{2|N<2>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	124.0650	0.105	4	124.0650	0.011	4	124.0650	0.011	4	123.2811	2.136	14	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]2)(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]HH){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[5a,6]HH)(H)2{1|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C){2|C<4>,3|C<3>,3|H<1>}	122.8050	0.415	3	122.8050	0.172	3	122.8050	0.172	3	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	123.1400	0.000	1	123.1400	0.000	1	122.6230	0.470	5	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,2|N<3>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{5|C<3>}	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	121.6490	0.000	1	121.6490	0.000	1	122.6230	0.470	5	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,3|C<3>,3|H<1>}	122.6320	0.000	1	122.6320	0.000	1	122.6230	0.470	5	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N)(C[6]C[6]HH){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|N<3>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<2>,1|C<4>,1|N<3>,3|H<1>,4|C<3>}	123.3780	0.000	1	123.3780	0.000	1	122.6230	0.470	5	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a]){2|C<4>,2|H<1>,5|C<3>}	122.3160	0.000	1	122.3160	0.000	1	122.6230	0.470	5	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,5a]-3:N[5a,6]-3:	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a]C[6])	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	120.7140	0.000	1	120.7140	0.000	1	120.7140	0.000	1	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]2)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]2)(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	122.8660	0.000	1	122.8660	0.000	1	122.0376	0.768	16	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,3|H<1>,4|C<3>}	122.0850	0.470	2	122.4002	0.203	5	122.0376	0.768	16	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,3|C<3>,4|H<1>}	122.6103	0.360	3	122.4002	0.203	5	122.0376	0.768	16	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<2>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	123.1570	0.000	1	121.7990	1.402	3	122.0376	0.768	16	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,3|H<1>,4|C<3>}	121.1200	0.195	2	121.7990	1.402	3	122.0376	0.768	16	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]O)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]O){1|C<2>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	120.2020	0.000	1	120.2020	0.000	1	122.0376	0.768	16	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]S)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|S<4>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]S){1|C<4>,3|C<3>,4|H<1>}	121.2020	0.000	1	121.2020	0.000	1	122.0376	0.768	16	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	120.9790	0.000	1	120.9790	0.000	1	122.0376	0.768	16	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]S)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|S<4>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]S){1|C<4>,3|C<3>,4|H<1>}	121.9620	0.000	1	121.9620	0.000	1	122.0376	0.768	16	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	122.7400	0.000	1	122.7400	0.000	1	122.0376	0.768	16	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){2|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,2|C<3>,5|H<1>}	122.5590	0.000	1	122.5590	0.000	1	122.0376	0.768	16	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]N)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]N){2|C<3>,2|C<4>,3|H<1>}	122.6930	0.000	1	122.6930	0.000	1	122.0376	0.768	16	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6])	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|N<2>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{4|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6]){1|C<4>,3|H<1>,5|C<3>}	119.8200	0.000	1	119.8200	0.000	1	119.8200	0.000	1	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]CH)(H)2	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]CH)(H)2{5|C<3>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	121.9750	0.000	1	121.9750	0.000	1	122.6975	1.044	2	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	123.4200	0.000	1	123.4200	0.000	1	122.6975	1.044	2	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|C<4>,3|H<1>,4|C<3>}	124.4295	0.518	2	123.7663	1.454	3	123.3936	1.186	5	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){3|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|C<4>,3|H<1>,4|C<3>}	122.4400	0.000	1	123.7663	1.454	3	123.3936	1.186	5	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){3|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	123.4650	0.000	1	123.4650	0.000	1	123.3936	1.186	5	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]CH)(H)2	C[5a,6](C[6,6a]N[6,6a]N[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]CH)(H)2{5|C<3>}	C[5a,6](C[6,6a]N[6,6a]N[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	122.2040	0.000	1	122.2040	0.000	1	123.3936	1.186	5	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Br)(C[6]C[6]O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2{2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Br)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	124.3010	0.000	1	124.3010	0.000	1	122.3240	4.169	6	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6a]C[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<2>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,5|C<3>}	122.6910	0.000	1	122.6910	0.000	1	122.3240	4.169	6	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	124.9220	0.000	1	124.9220	0.000	1	122.3240	4.169	6	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Br)(C[6]N[6]O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|S<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Br)(C[6]N[6]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	119.8090	0.000	1	119.8090	0.000	1	122.3240	4.169	6	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	121.7350	0.000	1	121.7350	0.000	1	122.3240	4.169	6	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]O[6]O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2{4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	120.4860	0.000	1	120.4860	0.000	1	122.3240	4.169	6	122.3326	1.518	39	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]2)(C[6]O[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]H)(C[6]O[6]HH)	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[5a,6]C[5a,6]2)(C[6]O[6]HH)(H)2{1|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]H)(C[6]O[6]HH){1|C<3>,2|C<4>,2|H<1>}	122.7580	0.000	1	122.7580	0.000	1	122.7580	0.000	1	125.2241	1.057	12	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|S<4>,2|C<4>,4|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|S<4>,2|C<4>,4|H<1>}	124.7210	0.000	1	124.7210	0.000	1	125.4753	0.563	7	125.2241	1.057	12	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]CC)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,6|H<1>}	126.4480	0.000	1	125.6700	0.820	3	125.4753	0.563	7	125.2241	1.057	12	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]CC)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]CC){1|C<4>,3|C<3>,5|H<1>}	125.2810	0.856	2	125.6700	0.820	3	125.4753	0.563	7	125.2241	1.057	12	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CC)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<2>,2|C<4>,4|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CC){1|C<4>,6|H<1>}	125.8250	0.000	1	125.8250	0.000	1	125.4753	0.563	7	125.2241	1.057	12	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){2|C<4>,5|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<4>,6|H<1>}	125.3855	0.957	2	125.3855	0.915	2	125.4753	0.563	7	125.2241	1.057	12	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[5,6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[5,6]HH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[5,6]HH){2|C<3>,2|C<4>,5|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[5,6]HH){2|C<3>,2|C<4>,3|H<1>}	126.0350	0.000	1	126.0350	0.000	1	126.0350	0.000	1	125.2241	1.057	12	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	125.8040	0.000	1	125.8040	0.000	1	125.1897	0.536	3	125.2241	1.057	12	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HN)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HN){2|C<3>,2|C<4>,3|H<1>}	125.3850	0.000	1	125.3850	0.000	1	125.1897	0.536	3	125.2241	1.057	12	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]N[6]HH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,5|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]N[6]HH){1|C<4>,2|H<1>,5|C<3>}	124.3800	0.000	1	124.3800	0.000	1	125.1897	0.536	3	125.2241	1.057	12	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:4:2:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:F-1:F-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FF)(F)2	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]CO)(N[5a]C[5a])	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF){1|H<1>,1|O<2>,2|C<4>,2|F<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FF)(F)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]CO)(N[5a]C[5a]){2|C<4>,2|F<1>,3|H<1>}	125.0640	0.000	1	125.0640	0.000	1	125.0640	0.000	1	125.4600	0.175	3	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:4:2:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]CC)(N[5a]C[5a])	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]CC)(N[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	125.4180	0.000	1	125.4180	0.000	1	125.6580	0.115	2	125.4600	0.175	3	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:4:2:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,1|F<1>,4|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,6|H<1>}	125.8980	0.000	1	125.8980	0.000	1	125.6580	0.115	2	125.4600	0.175	3	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:4:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a,6]-3:	N[5a,6](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a,6]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5,6]C[5,6]O[5]H)(N[5a,6]C[5a]C[6])	N[5a,6](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a,6]C)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5,6]C[5,6]O[5]H)(N[5a,6]C[5a]C[6]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	122.3220	0.000	1	122.3220	0.000	1	122.3220	0.000	1	124.1604	11.411	10	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a,6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a,6a]H){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	126.4475	0.114	4	126.4475	0.013	4	126.4475	0.013	4	124.1604	11.411	10	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]N[6]H)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(C[5a]C[5a,6a]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|S<4>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(C[5a]C[5a,6a]C){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	119.9657	0.449	3	119.9657	0.201	3	122.6984	16.917	5	124.1604	11.411	10	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]O[6]H)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(C[5a]C[5a,6a]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]O[6]H)(H)2{1|C<4>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(C[5a]C[5a,6a]C){1|C<4>,2|H<1>,4|C<3>}	124.4250	0.000	1	124.4250	0.000	1	122.6984	16.917	5	124.1604	11.411	10	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]S[6]H)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]S[6]H)(C[5a]C[5a,6a]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]S[6]H)(H)2{1|C<4>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]S[6]H)(C[5a]C[5a,6a]C){1|C<4>,2|H<1>,4|C<3>}	129.1700	0.000	1	129.1700	0.000	1	122.6984	16.917	5	124.1604	11.411	10	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	4:3:2:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:F-1:F-1:	C[5,6]-4:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]FF)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]FF)(F)2	C[5a,6](C[5,6]C[5,6]O[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a])	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]FF){1|H<1>,1|O<2>,2|C<4>,2|F<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]FF)(F)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5a,6](C[5,6]C[5,6]O[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a]){1|C<3>,2|C<4>,2|F<1>,3|H<1>}	124.8560	0.000	1	124.8560	0.000	1	124.8560	0.000	1	125.6830	0.514	3	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	4:3:2:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2	C[5a,6](C[5,6]C[5,6]C[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a])	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5a,6](C[5,6]C[5,6]C[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a]){2|C<3>,3|C<4>,5|H<1>}	126.0965	0.042	2	126.0965	0.002	2	126.0965	0.002	2	125.6830	0.514	3	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2	C[5a,6](C[5,6]C[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5a,6](C[5,6]C[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){2|C<4>,3|H<1>,6|C<3>}	119.0830	0.000	1	119.0830	0.000	1	119.0830	0.000	1	121.3755	10.511	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6,6]HH)(H)2	C[5a,6](C[6,6]N[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,5|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5a,6](C[6,6]N[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,3|C<4>,5|H<1>}	123.6680	0.000	1	123.6680	0.000	1	123.6680	0.000	1	121.3755	10.511	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:O-2:H-1:	N[5a,6]-3:C[6,6]-3:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6]HO)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(OH)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(C[5a]C[5a,6a]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6]HO){2|C<4>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(C[5a]C[5a,6a]C){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	126.2550	0.571	3	126.2550	0.326	3	126.2550	0.326	3	126.2550	0.326	3	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-3:H-1:	N[5a,6]-3:C[6,6]-3:N[5a]-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(N[5a]C[5a,6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)(H){1|N<2>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(N[5a]C[5a,6a]){2|C<4>,3|H<1>,4|C<3>}	124.2760	0.000	1	124.2760	0.000	1	124.2760	0.000	1	124.2760	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]N[6]H)(COO)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]N[6]H)(COO)(H){1|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	122.3330	0.000	1	122.3330	0.000	1	120.6561	0.997	7	120.6561	0.997	7	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(CC[6a]O)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|N<2>,4|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(CC[6a]O)(H){1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]H){1|C<3>,1|C<4>,3|H<1>}	121.2670	0.000	1	121.2670	0.000	1	120.6561	0.997	7	120.6561	0.997	7	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(COO)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(COO)(H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	120.5920	0.390	3	120.1986	0.437	5	120.6561	0.997	7	120.6561	0.997	7	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(COO)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(COO)(H){1|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	119.6085	0.532	2	120.1986	0.437	5	120.6561	0.997	7	120.6561	0.997	7	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:3:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CCH)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH){1|N<3>,6|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CCH)(H){2|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	121.6700	0.000	1	121.6700	0.000	1	123.9010	9.955	2	123.9010	9.955	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:3:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(COO)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CO)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,5|H<1>}	126.1320	0.000	1	126.1320	0.000	1	123.9010	9.955	2	123.9010	9.955	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:4:1:	3:2:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:N[5a]-2:S[6]-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(CCHH)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(CCHH)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	127.1340	0.000	1	127.1340	0.000	1	127.1340	0.000	1	127.1340	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(CCHH)(H)	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH){1|N<3>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(CCHH)(H){1|N<2>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){2|C<4>,2|H<1>,4|C<3>}	125.3240	0.000	1	125.3240	0.000	1	125.3240	0.000	1	125.3240	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|Br<1>,2|C<4>,3|H<1>}	123.4250	0.294	2	123.4250	0.087	2	122.9316	0.549	8	122.9316	0.549	8	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CC[5a]HH)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CC[5a]HH)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|Br<1>,2|C<4>,3|H<1>}	122.1810	0.000	1	122.1810	0.000	1	122.9316	0.549	8	122.9316	0.549	8	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]C[6]H)(CH3)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH){2|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]C[6]H)(CH3)(H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){3|C<4>,3|H<1>}	122.4300	0.000	1	122.4300	0.000	1	122.9316	0.549	8	122.9316	0.549	8	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CH3)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){3|C<4>,4|H<1>}	123.7045	0.633	2	123.7045	0.401	2	122.9316	0.549	8	122.9316	0.549	8	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H){2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){2|C<4>,4|H<1>}	122.2915	0.194	2	122.2915	0.038	2	122.9316	0.549	8	122.9316	0.549	8	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:4:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCHH)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(C[5a]C[5a,6a]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]CH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCHH)(H){1|C<4>,1|S<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(C[5a]C[5a,6a]C){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	117.0500	0.000	1	117.0500	0.000	1	117.0500	0.000	1	117.0500	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:4:2:	3:2:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-4:O-2:	N[5a,6]-3:N[5a]-2:C[6]-4:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CO)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CH3)(OH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CO){1|C<4>,2|C<3>,5|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CH3)(OH){1|N<2>,2|C<3>,3|C<4>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>}	126.8980	0.000	1	126.8980	0.000	1	126.8980	0.000	1	126.8980	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:3:4:	3:4:4:2:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CO)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CH)(CH3)(OH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CO){2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CH)(CH3)(OH){1|N<2>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	123.9053	0.909	3	123.9053	0.827	3	123.9053	0.827	3	123.9053	0.827	3	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:1:1:	3:2:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-3:H-1:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]HH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H)2	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]N[6]C)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<4>,1|N<3>,1|O<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H)2{1|H<1>,1|N<3>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]N[6]C){1|C<3>,3|H<1>}	126.4620	0.000	1	126.4620	0.000	1	126.4620	0.000	1	126.4620	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(N[6]C[6]H)	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6]HH)(N[5a]C[5a]){1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(H)2{1|N<3>,3|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(N[6]C[6]H){2|H<1>,3|C<3>}	126.5230	0.000	1	126.5230	0.000	1	126.5230	0.000	1	126.5230	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:3:1:	3:2:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-2:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|C<2>,1|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|N<2>,4|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){2|H<1>,3|C<3>}	127.4580	0.000	1	127.4580	0.000	1	127.4580	0.000	1	127.4580	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:3:1:	3:2:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|H<1>,1|S<2>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	126.9530	0.000	1	127.2135	0.136	2	126.7525	0.501	10	126.7525	0.501	10	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:3:1:	3:2:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|H<1>,1|S<2>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	127.4740	0.000	1	127.2135	0.136	2	126.7525	0.501	10	126.7525	0.501	10	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:3:1:	3:2:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){2|H<1>,3|C<3>}	127.0840	0.000	1	127.0840	0.000	1	126.7525	0.501	10	126.7525	0.501	10	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:3:1:	3:2:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	127.6090	0.000	1	127.6090	0.000	1	126.7525	0.501	10	126.7525	0.501	10	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:3:1:	3:2:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|C<4>,1|H<1>,2|C<3>}	126.7895	0.740	2	126.7895	0.548	2	126.7525	0.501	10	126.7525	0.501	10	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:3:1:	3:2:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|H<1>,3|C<3>}	126.4203	0.636	3	126.4203	0.405	3	126.7525	0.501	10	126.7525	0.501	10	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:3:1:	3:2:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(C[6]C[6]C)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|C<4>,1|H<1>,2|C<3>}	125.5650	0.000	1	125.5650	0.000	1	126.7525	0.501	10	126.7525	0.501	10	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:3:1:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(N[6]C[6]H)	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(N[6]C[6]H){1|H<1>,4|C<3>}	125.4180	0.000	1	125.4180	0.000	1	125.4180	0.000	1	125.3525	0.009	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:3:1:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(N[5a]C[5a]){3|H<1>,4|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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|C<3>,3|H<1>}	125.2870	0.000	1	125.2870	0.000	1	125.2870	0.000	1	125.3525	0.009	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:3:1:	3:4:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:C[6,6]-4:N[5a]-2:	N[5a,6](C[5a,6]C[6,6]N[5a])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[6,6]C[6]2N[6])(N[5a]N[5a])	N[5a,6](C[5a,6]C[6,6]N[5a])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[6,6]C[6]2N[6])(N[5a]N[5a]){2|C<3>,2|C<4>,6|H<1>}	128.1060	0.000	1	128.1060	0.000	1	128.1060	0.000	1	128.1060	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:3:2:	3:3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[5a,6]-3:C[5a]-3:O[6]-2:	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[3x6])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[3x6])	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a]){1|C<4>,6|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[3x6]){1|O<2>,2|C<4>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[3x6]){1|O<2>,2|C<4>,3|C<3>}	124.7210	0.000	1	124.7210	0.000	1	124.8150	0.018	2	124.8150	0.018	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:3:2:	3:3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[5a,6]-3:C[5a]-3:O[6]-2:	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[6])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[6])	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a]){1|C<4>,6|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[6]){1|O<2>,5|H<1>,7|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[6]){1|H<1>,1|O<2>,4|C<3>}	124.9090	0.000	1	124.9090	0.000	1	124.8150	0.018	2	124.8150	0.018	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:3:2:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]C[6a]O)(N[5a]C[5a,6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(OH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]C[6a]O)(N[5a]C[5a,6a]){1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(OH){1|O<2>,2|H<1>,7|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<2>,5|C<3>}	127.0130	0.000	1	127.0130	0.000	1	127.0130	0.000	1	127.0130	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:3:4:	3:3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6a]-3:C[6]-4:	N[5a,6]-3:C[5a]-3:O[6]-2:	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2C[6])(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[6])	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2C[6])(N[5a]C[5a]){1|C<4>,2|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(C[6]C[6]HH){2|O<2>,5|H<1>,6|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	125.8880	0.000	1	125.8880	0.000	1	125.8880	0.000	1	125.8880	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:4:1:	3:2:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|N<2>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	127.0570	0.000	1	127.0570	0.000	1	127.0570	0.000	1	127.0570	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]HH)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|O<2>,3|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]HH){1|C<4>,1|H<1>,3|C<3>}	125.5860	0.000	1	125.5860	0.000	1	125.5860	0.000	1	125.5860	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:4:1:	3:4:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-3:C-4:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CC[6a]HH)(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[6]N[6]CC)(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<4>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<4>,1|N<3>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(C[6]N[6]CC)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	127.7900	0.000	1	127.7900	0.000	1	127.7900	0.000	1	127.7900	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:4:2:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CC[6a]HH)(OH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a]){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CC[6a]HH)(OH){1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	127.6750	0.000	1	127.6750	0.000	1	126.9773	0.511	3	126.9773	0.511	3	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:4:2:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]N)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a]){1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH){1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]N){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	127.0110	0.000	1	127.0110	0.000	1	126.9773	0.511	3	126.9773	0.511	3	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:4:2:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a]){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH){1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	126.2460	0.000	1	126.2460	0.000	1	126.9773	0.511	3	126.9773	0.511	3	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:4:4:	3:2:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[6]-3:C-4:C-4:	N[5a,6]-3:N[5a]-2:N[6]-2:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]N[6]CC)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)2	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	N[5a,6](C[5a,6]N[5a]N[6])(C[6]N[6]CC)(N[5a]C[5a]){1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)2{1|C<3>,1|N<3>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){1|C<3>,2|C<4>,2|N<3>}	123.4710	1.401	2	123.4710	1.964	2	123.4710	1.964	2	123.4710	1.964	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:4:4:	3:3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]N[6]CC)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(N[5a]N[5a])	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]N[6]CC)(N[5a]N[5a]){1|H<1>,2|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[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	126.8130	0.000	1	126.8130	0.000	1	126.8130	0.000	1	126.8130	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:4:4:	3:4:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-3:C-4:C-4:	N[5a,6]-3:C[6,6]-4:N[5a]-2:	N[5a,6](C[5a,6]C[6,6]N[5a])(C[6]C[6]CC)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2	C[5a,6](N[5a,6]N[5a]C[6])(C[6,6]C[6]2N[6])(N[5a]N[5a])	N[5a,6](C[5a,6]C[6,6]N[5a])(C[6]C[6]CC)(N[5a]N[5a]){1|N<2>,1|O<1>,2|C<4>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2{1|C<4>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(C[6,6]C[6]2N[6])(N[5a]N[5a]){1|C<3>,4|C<4>,4|H<1>}	128.7940	0.000	1	129.4672	0.355	5	129.4672	0.355	5	129.1051	0.413	9	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:4:4:	3:4:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-3:C-4:C-4:	N[5a,6]-3:C[6,6]-4:N[5a]-2:	N[5a,6](C[5a,6]C[6,6]N[5a])(C[6]C[6]CC)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2	C[5a,6](N[5a,6]N[5a]C[6])(C[6,6]C[6]2N[6])(N[5a]N[5a])	N[5a,6](C[5a,6]C[6,6]N[5a])(C[6]C[6]CC)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<4>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2{1|C<4>,1|H<1>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(C[6,6]C[6]2N[6])(N[5a]N[5a]){1|C<3>,4|C<4>,5|H<1>}	129.6355	0.534	4	129.4672	0.355	5	129.4672	0.355	5	129.1051	0.413	9	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:3:4:4:	3:4:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-3:C-4:C-4:	N[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]CC)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2	C[5a,6](N[5a,6]N[5a]C[6])(C[6]N[6]CC)(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]CC)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<4>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2{1|C<4>,1|H<1>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(C[6]N[6]CC)(N[5a]N[5a]){1|C<3>,1|H<1>,2|C<4>}	128.6525	0.368	4	128.6525	0.136	4	128.6525	0.136	4	129.1051	0.413	9	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2{4|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]C){2|C<4>,2|H<1>,3|C<3>}	123.8140	0.000	1	123.8140	0.000	1	123.8980	0.148	3	124.9479	3.213	10	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]N)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,2|H<1>,3|N<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2{1|N<2>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]N){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	123.9400	0.535	2	123.9400	0.286	2	123.8980	0.148	3	124.9479	3.213	10	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]C){1|C<4>,3|C<3>,3|H<1>}	124.9870	0.000	1	124.9870	0.000	1	124.9870	0.000	1	124.9479	3.213	10	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]N)(C[6]C[6]C)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]N)(C[6]C[6]C){1|C<4>,5|H<1>}	127.5895	0.257	2	127.5895	0.066	2	125.2450	7.353	4	124.9479	3.213	10	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,3|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|H<1>}	122.9540	0.000	1	122.9540	0.000	1	125.2450	7.353	4	124.9479	3.213	10	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]O)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(H)2{1|N<2>,2|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	122.8470	0.000	1	122.8470	0.000	1	125.2450	7.353	4	124.9479	3.213	10	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6]HH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]C)	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]C){1|C<4>,4|H<1>}	126.6360	0.000	1	126.6360	0.000	1	125.9090	1.057	2	124.9479	3.213	10	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6]HH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]H)	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]H){1|C<4>,4|H<1>}	125.1820	0.000	1	125.1820	0.000	1	125.9090	1.057	2	124.9479	3.213	10	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,1|O<2>,5|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO){2|C<4>,4|H<1>}	126.2580	0.000	1	126.2580	0.000	1	125.6917	0.198	4	125.6917	0.198	4	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]HH)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|O<2>,2|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(H)2{1|C<4>,4|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,2|H<1>}	125.3620	0.000	1	125.3620	0.000	1	125.6917	0.198	4	125.6917	0.198	4	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]O[6]HH)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<4>,1|O<2>,4|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]O[6]HH){1|C<4>,2|H<1>}	125.5735	0.368	2	125.5735	0.136	2	125.6917	0.198	4	125.6917	0.198	4	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:4:1:1:	4:3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(H)2	C[5a,6](C[6]N[5,6]C[6a]H)(N[5a,6]N[5a]C[6])(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(H)2{2|H<1>,2|N<2>,3|C<4>}	C[5a,6](C[6]N[5,6]C[6a]H)(N[5a,6]N[5a]C[6])(N[5a]N[5a]){2|C<3>,2|C<4>,2|H<1>}	126.6150	0.000	1	126.6150	0.000	1	126.6150	0.000	1	126.6150	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:4:1:1:	4:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[6]HH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HO)(H)2	C[5a,6](C[5,6]C[5,6]O[5]H)(N[5a,6]N[5a]C[6])(C[5a]N[5a]C)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6](C[5,6]C[5,6]O[5]H)(N[5a,6]N[5a]C[6])(C[5a]N[5a]C){1|O<2>,2|C<4>,3|H<1>}	126.1490	0.000	1	126.1490	0.000	1	126.1490	0.000	1	126.1490	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:4:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:C-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CCH)(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]CH)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CCH)(H){1|C<3>,1|C<4>,1|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]CH){1|C<4>,1|H<1>,3|C<3>}	125.6785	0.340	2	125.6785	0.116	2	125.6785	0.116	2	125.7643	0.080	3	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:4:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:C[6a]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]HH)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|O<2>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]HH){1|C<4>,1|H<1>,3|C<3>}	125.9360	0.000	1	125.9360	0.000	1	125.9360	0.000	1	125.7643	0.080	3	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:4:3:1:	4:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6]CH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CCH)(H)	C[5a,6](C[6,6]C[6,6]C[6]O)(N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])	N[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6]CH)(N[5a]N[5a]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CCH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5a,6](C[6,6]C[6,6]C[6]O)(N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a]){3|C<3>,3|C<4>,4|H<1>}	127.9377	0.628	3	127.9377	0.394	3	127.9377	0.394	3	127.9377	0.394	3	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HO)(CH3)(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]HO)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	127.3395	0.286	2	127.3395	0.082	2	125.9630	5.725	3	125.9630	5.725	3	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CCHH)(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CCHH)(H){1|C<3>,1|C<4>,1|N<2>,1|S<4>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	123.2100	0.000	1	123.2100	0.000	1	125.9630	5.725	3	125.9630	5.725	3	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:4:4:1:	3:4:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5,6]-4:C-4:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(C[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	120.8890	0.000	1	120.8890	0.000	1	120.8890	0.000	1	120.8890	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:4:4:2:	3:2:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:C-4:O-2:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]CO)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CClHH)(OH)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]CO)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CClHH)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<3>,1|H<1>,1|O<2>,1|S<2>,2|C<4>}	124.8750	0.000	1	124.8750	0.000	1	125.8875	2.050	2	125.8875	2.050	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:2:	3:4:4:2:	3:2:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:C-4:O-2:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]CO)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CH3)(OH)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]CO)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	126.9000	0.000	1	126.9000	0.000	1	125.8875	2.050	2	125.8875	2.050	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:3:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6,6a]-3:N[5a,6]-3:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)(C[5a]C[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)(C[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2{1|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H){2|C<3>,4|H<1>}	125.3470	0.000	1	125.3470	0.000	1	125.3470	0.000	1	124.9882	0.173	5	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:3:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]HH)(C[5a]C[5a]H)	C[6](N[5a,6]C[5a,6]C[5a])2(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]HH)(C[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])2(H)2{2|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|N<3>,4|H<1>}	124.8985	0.421	4	124.8985	0.177	4	124.8985	0.177	4	124.9882	0.173	5	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:3:	3:3:2:1:	3:4:2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:N[5a,6]-3:O-2:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]HO)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(OH)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]N[5a,6]HO)(N[5a]C[5a])	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]HO)(C[5a]C[5a]H){1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(OH)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]N[5a,6]HO)(N[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	127.1780	0.000	1	127.1780	0.000	1	127.1780	0.000	1	127.1780	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:3:	3:3:3:1:	3:2:2:	C[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:S[5a]-2:N[6]-2:	N[5a,6](C[5a,6]S[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]O)	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](N[5a,6]C[5a]C[6])(S[5a]C[5a])(N[6]C[6])	N[5a,6](C[5a,6]S[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]O){5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(S[5a]C[5a])(N[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	120.8622	0.708	21	120.8622	0.501	21	120.8622	0.501	21	120.8622	0.501	21	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:3:	3:3:4:1:	3:2:3:	C[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]S[5a])(C[6]C[6]CH)(H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]S[5a])(C[6]C[6]CH)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	124.4495	0.919	2	124.4495	0.844	2	124.4495	0.844	2	124.4495	0.844	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:3:	3:3:4:1:	3:3:3:	C[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	122.3980	0.000	1	122.3980	0.000	1	122.3980	0.000	1	123.0095	0.748	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:3:	3:3:4:1:	3:3:3:	C[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:N[6a]-3:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6](C[5a,6]C[5a]N[6])(C[6]N[6a]C[6]H)(C[5a]N[5a]H)	C[6](N[5a,6]C[5a,6]C[5a])(N[6a]C[6a]2)(C[6]C[6]HO)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]D)	N[5a,6](C[5a,6]C[5a]N[6])(C[6]N[6a]C[6]H)(C[5a]N[5a]H){1|C<4>,1|D<1>,1|H<1>,1|O<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(N[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,2|C<3>,2|N<2>,4|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]D){1|C<4>,1|N<3>,4|H<1>}	123.6210	0.000	1	123.6210	0.000	1	123.6210	0.000	1	123.0095	0.748	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:3:	3:3:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]HH)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	125.7925	1.025	2	125.7925	1.050	2	125.7925	1.050	2	125.7925	1.050	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:3:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[5,6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(C[5a]C[5a]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5]O[5]O[6])(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]HH)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(C[5a]C[5a]C){1|C<4>,2|O<2>,4|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5]O[5]O[6])(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,3|H<1>}	123.9830	0.000	1	123.9830	0.000	1	123.9830	0.000	1	123.9830	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:3:	3:4:2:1:	3:3:3:	C[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[5,6]-4:N-2:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HN)(C[5a]C[5a]Br)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5]N)(NS)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[5,6]O)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HN)(C[5a]C[5a]Br){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5]N)(NS)(H){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[5,6]O){2|Br<1>,1|H<1>,1|N<2>,2|C<4>}	119.9140	0.000	1	119.9140	0.000	1	119.9140	0.000	1	119.9140	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:3:	3:4:3:1:	3:4:3:	C[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[5,6]-4:C-3:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(C[5a]C[5a]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(C[5a]C[5a]C){1|C<3>,2|C<4>,4|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(C[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	125.8215	0.084	2	125.8215	0.007	2	125.8215	0.007	2	125.8215	0.007	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:3:	3:4:4:1:	4:3:3:	C[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]C)(CH3)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]C)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5a,6](C[5,6]C[5,6]C[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,3|H<1>}	124.3600	0.000	1	124.3600	0.000	1	124.3050	0.006	2	124.3050	0.006	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	3:4:3:	3:4:4:1:	4:3:3:	C[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C){1|O<2>,3|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5a,6](C[5,6]C[5,6]C[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,5|C<4>}	124.2500	0.000	1	124.2500	0.000	1	124.3050	0.006	2	124.3050	0.006	2	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	4:3:2:	3:3:3:1:	3:3:2:	C[6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[5a,6]-3:N[6]-3:N[5a]-2:	N[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[6]C[6,6]H)(N[5a]C[5a])	N[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[6]C[6,6]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	127.4510	0.000	1	127.4510	0.000	1	127.4510	0.000	1	127.4510	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP2_SP2_SP3	N[5a,6]	C[6]	C[5a,6]	4:3:2:	3:4:3:1:	3:2:2:	C[6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6]-4:C[6a]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-2:	N[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6,6])	N[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|N<2>,3|H<1>,4|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6,6]){1|C<4>,2|C<3>,2|H<1>}	124.3330	0.000	1	124.3330	0.000	1	124.3330	0.000	1	124.3330	0.000	1	124.1193	6.229	282	124.0204	5.896	335
813	466	727	6:SP3_SP2_SP3	N[5a,6]	C[6]	C[5a,6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	N[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6,6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC)	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6]C[3x6]C[6]H)(CH3)2	C[5a,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC){2|C<4>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6]C[3x6]C[6]H)(CH3)2{2|C<4>,3|H<1>,4|C<3>}	C[5a,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6]){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	119.5310	0.000	1	119.5310	0.000	1	119.5310	0.000	1	119.5310	0.000	1	119.5310	0.000	1	119.5310	0.000	1